Add files using upload-large-folder tool
Browse files- cdr_info/8euq_C_D_AB_cdr_info.json +183 -0
- cdr_info/8q94_C__A_cdr_info.json +112 -0
- cdr_info/8r9z_H_L_A_cdr_info.json +177 -0
- cdr_info/8rrn_H_L_A_cdr_info.json +193 -0
- cdr_info/8sdg_G_I_C_cdr_info.json +187 -0
- cdr_info/8smp_H_L_A_cdr_info.json +181 -0
- cdr_info/8tco_E_D_AB_cdr_info.json +197 -0
- cdr_info/8tng_H__E_cdr_info.json +100 -0
- cdr_info/8vdl_H_L_C_cdr_info.json +193 -0
- cdr_info/8vqd_C_B_A_cdr_info.json +205 -0
- cdr_info/8vvk_D_C_B_cdr_info.json +185 -0
- cdr_info/8x9b_O_P_EI_cdr_info.json +181 -0
- cdr_info/8zc5_E_C_B_cdr_info.json +197 -0
- cdr_info/8zhe_H_L_A_cdr_info.json +179 -0
- protenix_json/8q7o_A__C.json +83 -0
- protenix_json/8qq0_E_D_A.json +112 -0
- protenix_json/8rvn_H_L_F.json +104 -0
- protenix_json/8scx_H_L_C.json +64 -0
- protenix_json/8sfx_D__B.json +49 -0
- protenix_json/8sgj_H_L_A.json +72 -0
- protenix_json/8sr0_Y_Z_X.json +80 -0
- protenix_json/8sxp_H_L_C.json +104 -0
- protenix_json/8t06_C_D_A.json +64 -0
- protenix_json/8t1g_G_I_CD.json +141 -0
- protenix_json/8t9b_C_G_L.json +80 -0
- protenix_json/8to9_D_F_A.json +136 -0
- protenix_json/8tvj_H_L_E.json +80 -0
- protenix_json/8txm_H_L_AB.json +133 -0
- protenix_json/8txt_H_L_EF.json +141 -0
- protenix_json/8ty7_H_L_AB.json +125 -0
- protenix_json/8tzu_D__B.json +125 -0
- protenix_json/8u1q_H_L_A.json +120 -0
- protenix_json/8u32_C_B_A.json +88 -0
- protenix_json/8vun_G_I_C.json +128 -0
- protenix_json/8w86_A_B_CD.json +121 -0
- protenix_json/8wsn_E_F_A.json +144 -0
- protenix_json/8wz4_H_L_C.json +80 -0
- protenix_json/8wz5_H_L_A.json +120 -0
- protenix_json/8x2l_H_L_B.json +72 -0
- protenix_json/8xsl_H_L_A.json +184 -0
- protenix_json/8y0q_H_L_2.json +72 -0
- protenix_json/8yj5_C__A.json +51 -0
- protenix_json/8ywx_E_D_A.json +112 -0
- protenix_json/8zby_H_D_A.json +184 -0
- protenix_json/8zes_E__D.json +83 -0
- protenix_json/9bdg_D_G_B.json +90 -0
- protenix_json/9bt8_A__B.json +33 -0
- protenix_json/9fkd_H_L_B.json +88 -0
- protenix_json/9g4g_B__A.json +51 -0
- protenix_json/9g7k_C__B.json +43 -0
cdr_info/8euq_C_D_AB_cdr_info.json
ADDED
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| 1 |
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{
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| 2 |
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"entry_name": "8euq_C_D_AB",
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| 3 |
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"heavy_chain_id": "C",
|
| 4 |
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"light_chain_id": "D",
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| 5 |
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"chain_mapping": {
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| 6 |
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"protenix_to_original": {
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| 7 |
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"A": "A",
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| 8 |
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"B": "D",
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"C": "B",
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| 10 |
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"D": "C"
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},
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"original_to_protenix": {
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"A": "A",
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"D": "B",
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"B": "C",
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"C": "D"
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},
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"sequence_order": [
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{
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"protenix_chain": "A",
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"original_chain": "A",
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"seq_len": 188,
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"entity_type": "proteinChain"
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},
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{
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"protenix_chain": "B",
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"original_chain": "D",
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"seq_len": 214,
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"entity_type": "proteinChain"
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},
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{
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"protenix_chain": "C",
|
| 33 |
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"original_chain": "B",
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| 34 |
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"seq_len": 226,
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| 35 |
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"entity_type": "proteinChain"
|
| 36 |
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},
|
| 37 |
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{
|
| 38 |
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"protenix_chain": "D",
|
| 39 |
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"original_chain": "C",
|
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"seq_len": 223,
|
| 41 |
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"entity_type": "proteinChain"
|
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}
|
| 43 |
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]
|
| 44 |
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},
|
| 45 |
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"cdr_info": {
|
| 46 |
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"H_chain": {
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| 47 |
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| 48 |
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],
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| 73 |
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"variable_domain_start_res_id": 1,
|
| 74 |
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"cdr1": {
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| 75 |
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"indices": [
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| 76 |
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| 84 |
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},
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| 85 |
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"cdr2": {
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| 86 |
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| 87 |
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| 93 |
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| 94 |
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"cdr3": {
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| 95 |
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"L_chain": {
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"variable_domain_start_res_id": 1,
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"cdr2": {
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| 168 |
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"cdr3": {
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| 169 |
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"indices": [
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| 170 |
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|
| 181 |
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}
|
| 182 |
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}
|
| 183 |
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}
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cdr_info/8q94_C__A_cdr_info.json
ADDED
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@@ -0,0 +1,112 @@
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|
| 1 |
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{
|
| 2 |
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"entry_name": "8q94_C__A",
|
| 3 |
+
"heavy_chain_id": "C",
|
| 4 |
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"light_chain_id": null,
|
| 5 |
+
"chain_mapping": {
|
| 6 |
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"protenix_to_original": {
|
| 7 |
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"A": "A",
|
| 8 |
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"B": "C"
|
| 9 |
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},
|
| 10 |
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"original_to_protenix": {
|
| 11 |
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"A": "A",
|
| 12 |
+
"C": "B"
|
| 13 |
+
},
|
| 14 |
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"sequence_order": [
|
| 15 |
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{
|
| 16 |
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"protenix_chain": "A",
|
| 17 |
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"original_chain": "A",
|
| 18 |
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"seq_len": 187,
|
| 19 |
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"entity_type": "proteinChain"
|
| 20 |
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},
|
| 21 |
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{
|
| 22 |
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"protenix_chain": "B",
|
| 23 |
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"original_chain": "C",
|
| 24 |
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"seq_len": 132,
|
| 25 |
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"entity_type": "proteinChain"
|
| 26 |
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}
|
| 27 |
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]
|
| 28 |
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},
|
| 29 |
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"cdr_info": {
|
| 30 |
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"H_chain": {
|
| 31 |
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"cdr_indices": [
|
| 32 |
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|
| 33 |
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| 34 |
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|
| 64 |
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| 65 |
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| 66 |
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|
| 67 |
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|
| 68 |
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27,
|
| 71 |
+
28,
|
| 72 |
+
29,
|
| 73 |
+
30,
|
| 74 |
+
31
|
| 75 |
+
]
|
| 76 |
+
},
|
| 77 |
+
"cdr2": {
|
| 78 |
+
"indices": [
|
| 79 |
+
51,
|
| 80 |
+
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|
| 81 |
+
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|
| 82 |
+
54,
|
| 83 |
+
55,
|
| 84 |
+
56
|
| 85 |
+
]
|
| 86 |
+
},
|
| 87 |
+
"cdr3": {
|
| 88 |
+
"indices": [
|
| 89 |
+
98,
|
| 90 |
+
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|
| 91 |
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|
| 92 |
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|
| 93 |
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|
| 94 |
+
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|
| 95 |
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|
| 96 |
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|
| 97 |
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|
| 98 |
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|
| 99 |
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|
| 100 |
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|
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|
| 102 |
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|
| 103 |
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|
| 104 |
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|
| 105 |
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|
| 106 |
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|
| 107 |
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|
| 108 |
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|
| 109 |
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|
| 110 |
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}
|
| 111 |
+
}
|
| 112 |
+
}
|
cdr_info/8r9z_H_L_A_cdr_info.json
ADDED
|
@@ -0,0 +1,177 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry_name": "8r9z_H_L_A",
|
| 3 |
+
"heavy_chain_id": "H",
|
| 4 |
+
"light_chain_id": "L",
|
| 5 |
+
"chain_mapping": {
|
| 6 |
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"protenix_to_original": {
|
| 7 |
+
"A": "A",
|
| 8 |
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"B": "H",
|
| 9 |
+
"C": "L"
|
| 10 |
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},
|
| 11 |
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"original_to_protenix": {
|
| 12 |
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"A": "A",
|
| 13 |
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"H": "B",
|
| 14 |
+
"L": "C"
|
| 15 |
+
},
|
| 16 |
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"sequence_order": [
|
| 17 |
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{
|
| 18 |
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"protenix_chain": "A",
|
| 19 |
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"original_chain": "A",
|
| 20 |
+
"seq_len": 114,
|
| 21 |
+
"entity_type": "proteinChain"
|
| 22 |
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},
|
| 23 |
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{
|
| 24 |
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"protenix_chain": "B",
|
| 25 |
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"original_chain": "H",
|
| 26 |
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"seq_len": 219,
|
| 27 |
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"entity_type": "proteinChain"
|
| 28 |
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},
|
| 29 |
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{
|
| 30 |
+
"protenix_chain": "C",
|
| 31 |
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"original_chain": "L",
|
| 32 |
+
"seq_len": 212,
|
| 33 |
+
"entity_type": "proteinChain"
|
| 34 |
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}
|
| 35 |
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]
|
| 36 |
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},
|
| 37 |
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"cdr_info": {
|
| 38 |
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"H_chain": {
|
| 39 |
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"cdr_indices": [
|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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|
| 59 |
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|
| 60 |
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|
| 61 |
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|
| 62 |
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107,
|
| 63 |
+
108,
|
| 64 |
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|
| 65 |
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],
|
| 66 |
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"variable_domain_start_res_id": 1,
|
| 67 |
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|
| 68 |
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|
| 69 |
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|
| 70 |
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|
| 71 |
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|
| 72 |
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|
| 73 |
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|
| 74 |
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|
| 75 |
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|
| 76 |
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|
| 77 |
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|
| 78 |
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|
| 79 |
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|
| 80 |
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|
| 81 |
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|
| 82 |
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|
| 83 |
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|
| 84 |
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|
| 85 |
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|
| 86 |
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|
| 87 |
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|
| 88 |
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|
| 89 |
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|
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|
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|
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|
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|
| 102 |
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|
| 103 |
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|
| 104 |
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|
| 105 |
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|
| 106 |
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|
| 107 |
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|
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|
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|
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|
| 119 |
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|
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|
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|
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|
| 135 |
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|
| 136 |
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|
| 137 |
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
| 148 |
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|
| 149 |
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|
| 150 |
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|
| 151 |
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|
| 152 |
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|
| 153 |
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|
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|
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|
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|
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|
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|
| 159 |
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|
| 160 |
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|
| 161 |
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|
| 162 |
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|
| 163 |
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|
| 164 |
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|
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|
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|
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|
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|
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|
| 170 |
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|
| 171 |
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|
| 172 |
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|
| 173 |
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|
| 174 |
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|
| 175 |
+
}
|
| 176 |
+
}
|
| 177 |
+
}
|
cdr_info/8rrn_H_L_A_cdr_info.json
ADDED
|
@@ -0,0 +1,193 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
| 1 |
+
{
|
| 2 |
+
"entry_name": "8rrn_H_L_A",
|
| 3 |
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"heavy_chain_id": "H",
|
| 4 |
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|
| 5 |
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|
| 6 |
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|
| 7 |
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"A": "A",
|
| 8 |
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"B": "H",
|
| 9 |
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"C": "L"
|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"L": "C"
|
| 15 |
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|
| 16 |
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|
| 17 |
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{
|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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{
|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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{
|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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}
|
| 35 |
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]
|
| 36 |
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},
|
| 37 |
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|
| 38 |
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"H_chain": {
|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
| 64 |
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|
| 65 |
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110,
|
| 66 |
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111,
|
| 67 |
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112
|
| 68 |
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],
|
| 69 |
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"variable_domain_start_res_id": 1,
|
| 70 |
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|
| 71 |
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"indices": [
|
| 72 |
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25,
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| 73 |
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26,
|
| 74 |
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27,
|
| 75 |
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28,
|
| 76 |
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|
| 77 |
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|
| 78 |
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|
| 79 |
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|
| 80 |
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|
| 81 |
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|
| 82 |
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|
| 83 |
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| 84 |
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|
| 90 |
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|
| 91 |
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|
| 92 |
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|
| 93 |
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|
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|
| 108 |
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|
| 109 |
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|
| 110 |
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|
| 111 |
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|
| 112 |
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|
| 113 |
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|
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|
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|
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|
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|
| 145 |
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|
| 146 |
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|
| 147 |
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|
| 148 |
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|
| 149 |
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|
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|
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|
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|
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|
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|
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|
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|
| 164 |
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|
| 165 |
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|
| 166 |
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|
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|
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|
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|
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|
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|
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|
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|
| 190 |
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|
| 191 |
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}
|
| 192 |
+
}
|
| 193 |
+
}
|
cdr_info/8sdg_G_I_C_cdr_info.json
ADDED
|
@@ -0,0 +1,187 @@
|
|
|
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|
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|
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|
|
|
|
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|
|
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|
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|
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|
|
|
|
|
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|
|
|
|
|
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|
|
|
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|
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|
|
|
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|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
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|
|
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|
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|
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|
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|
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|
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|
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|
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|
|
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|
| 1 |
+
{
|
| 2 |
+
"entry_name": "8sdg_G_I_C",
|
| 3 |
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"heavy_chain_id": "G",
|
| 4 |
+
"light_chain_id": "I",
|
| 5 |
+
"chain_mapping": {
|
| 6 |
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"protenix_to_original": {
|
| 7 |
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"A": "G",
|
| 8 |
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"B": "I",
|
| 9 |
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"C": "C"
|
| 10 |
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},
|
| 11 |
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"original_to_protenix": {
|
| 12 |
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"G": "A",
|
| 13 |
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"I": "B",
|
| 14 |
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"C": "C"
|
| 15 |
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},
|
| 16 |
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"sequence_order": [
|
| 17 |
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{
|
| 18 |
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"protenix_chain": "A",
|
| 19 |
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"original_chain": "G",
|
| 20 |
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"seq_len": 226,
|
| 21 |
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"entity_type": "proteinChain"
|
| 22 |
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},
|
| 23 |
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{
|
| 24 |
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"protenix_chain": "B",
|
| 25 |
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"original_chain": "I",
|
| 26 |
+
"seq_len": 215,
|
| 27 |
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"entity_type": "proteinChain"
|
| 28 |
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},
|
| 29 |
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{
|
| 30 |
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"protenix_chain": "C",
|
| 31 |
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"original_chain": "C",
|
| 32 |
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"seq_len": 205,
|
| 33 |
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"entity_type": "proteinChain"
|
| 34 |
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}
|
| 35 |
+
]
|
| 36 |
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},
|
| 37 |
+
"cdr_info": {
|
| 38 |
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"H_chain": {
|
| 39 |
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"cdr_indices": [
|
| 40 |
+
25,
|
| 41 |
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26,
|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
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|
| 50 |
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|
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|
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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|
| 59 |
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|
| 60 |
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|
| 61 |
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|
| 62 |
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|
| 63 |
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|
| 64 |
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|
| 65 |
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|
| 66 |
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111,
|
| 67 |
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|
| 68 |
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|
| 69 |
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"variable_domain_start_res_id": 1,
|
| 70 |
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|
| 71 |
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|
| 72 |
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|
| 73 |
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|
| 74 |
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|
| 75 |
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|
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|
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|
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|
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|
| 80 |
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|
| 81 |
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|
| 82 |
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|
| 83 |
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|
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|
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|
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|
| 92 |
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|
| 93 |
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|
| 94 |
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|
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|
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|
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|
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|
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|
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|
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|
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|
| 109 |
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|
| 110 |
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|
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|
| 112 |
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|
| 113 |
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
| 141 |
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|
| 142 |
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|
| 143 |
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|
| 144 |
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|
| 145 |
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|
| 146 |
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|
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|
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|
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|
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|
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|
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|
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|
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|
| 157 |
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|
| 158 |
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|
| 159 |
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|
| 160 |
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|
| 161 |
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|
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|
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|
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|
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|
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|
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|
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|
| 169 |
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|
| 170 |
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|
| 171 |
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|
| 172 |
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
| 183 |
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|
| 184 |
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|
| 185 |
+
}
|
| 186 |
+
}
|
| 187 |
+
}
|
cdr_info/8smp_H_L_A_cdr_info.json
ADDED
|
@@ -0,0 +1,181 @@
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
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|
|
|
|
|
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|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
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|
|
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|
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|
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|
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|
|
|
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|
|
|
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|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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|
| 3 |
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|
| 4 |
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|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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| 41 |
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| 70 |
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|
| 154 |
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|
| 155 |
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|
| 156 |
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|
| 157 |
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|
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|
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|
| 165 |
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|
| 166 |
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| 167 |
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|
| 179 |
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|
| 180 |
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|
| 181 |
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|
cdr_info/8tco_E_D_AB_cdr_info.json
ADDED
|
@@ -0,0 +1,197 @@
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|
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|
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|
|
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|
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|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
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|
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|
|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
|
|
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|
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|
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|
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|
|
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|
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|
|
|
|
|
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|
|
|
|
|
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|
|
|
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|
|
| 1 |
+
{
|
| 2 |
+
"entry_name": "8tco_E_D_AB",
|
| 3 |
+
"heavy_chain_id": "E",
|
| 4 |
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|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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"D": "E"
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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"E": "D"
|
| 17 |
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|
| 18 |
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|
| 19 |
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{
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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{
|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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{
|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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}
|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
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|
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|
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|
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|
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|
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|
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|
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|
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| 77 |
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|
| 78 |
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|
| 79 |
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|
| 80 |
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|
| 81 |
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| 90 |
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
| 167 |
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|
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|
| 169 |
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|
| 170 |
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|
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|
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|
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|
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|
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|
| 179 |
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|
| 180 |
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|
| 181 |
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|
| 182 |
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|
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|
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|
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|
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|
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|
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|
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|
| 194 |
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|
| 195 |
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|
| 196 |
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|
| 197 |
+
}
|
cdr_info/8tng_H__E_cdr_info.json
ADDED
|
@@ -0,0 +1,100 @@
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry_name": "8tng_H__E",
|
| 3 |
+
"heavy_chain_id": "H",
|
| 4 |
+
"light_chain_id": null,
|
| 5 |
+
"chain_mapping": {
|
| 6 |
+
"protenix_to_original": {
|
| 7 |
+
"A": "E",
|
| 8 |
+
"B": "H"
|
| 9 |
+
},
|
| 10 |
+
"original_to_protenix": {
|
| 11 |
+
"E": "A",
|
| 12 |
+
"H": "B"
|
| 13 |
+
},
|
| 14 |
+
"sequence_order": [
|
| 15 |
+
{
|
| 16 |
+
"protenix_chain": "A",
|
| 17 |
+
"original_chain": "E",
|
| 18 |
+
"seq_len": 481,
|
| 19 |
+
"entity_type": "proteinChain"
|
| 20 |
+
},
|
| 21 |
+
{
|
| 22 |
+
"protenix_chain": "B",
|
| 23 |
+
"original_chain": "H",
|
| 24 |
+
"seq_len": 121,
|
| 25 |
+
"entity_type": "proteinChain"
|
| 26 |
+
}
|
| 27 |
+
]
|
| 28 |
+
},
|
| 29 |
+
"cdr_info": {
|
| 30 |
+
"H_chain": {
|
| 31 |
+
"cdr_indices": [
|
| 32 |
+
25,
|
| 33 |
+
26,
|
| 34 |
+
27,
|
| 35 |
+
28,
|
| 36 |
+
29,
|
| 37 |
+
30,
|
| 38 |
+
31,
|
| 39 |
+
50,
|
| 40 |
+
51,
|
| 41 |
+
52,
|
| 42 |
+
53,
|
| 43 |
+
95,
|
| 44 |
+
96,
|
| 45 |
+
97,
|
| 46 |
+
98,
|
| 47 |
+
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|
| 48 |
+
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|
| 49 |
+
101,
|
| 50 |
+
102,
|
| 51 |
+
103,
|
| 52 |
+
104,
|
| 53 |
+
105,
|
| 54 |
+
106,
|
| 55 |
+
107,
|
| 56 |
+
108,
|
| 57 |
+
109
|
| 58 |
+
],
|
| 59 |
+
"variable_domain_start_res_id": 1,
|
| 60 |
+
"cdr1": {
|
| 61 |
+
"indices": [
|
| 62 |
+
25,
|
| 63 |
+
26,
|
| 64 |
+
27,
|
| 65 |
+
28,
|
| 66 |
+
29,
|
| 67 |
+
30,
|
| 68 |
+
31
|
| 69 |
+
]
|
| 70 |
+
},
|
| 71 |
+
"cdr2": {
|
| 72 |
+
"indices": [
|
| 73 |
+
50,
|
| 74 |
+
51,
|
| 75 |
+
52,
|
| 76 |
+
53
|
| 77 |
+
]
|
| 78 |
+
},
|
| 79 |
+
"cdr3": {
|
| 80 |
+
"indices": [
|
| 81 |
+
95,
|
| 82 |
+
96,
|
| 83 |
+
97,
|
| 84 |
+
98,
|
| 85 |
+
99,
|
| 86 |
+
100,
|
| 87 |
+
101,
|
| 88 |
+
102,
|
| 89 |
+
103,
|
| 90 |
+
104,
|
| 91 |
+
105,
|
| 92 |
+
106,
|
| 93 |
+
107,
|
| 94 |
+
108,
|
| 95 |
+
109
|
| 96 |
+
]
|
| 97 |
+
}
|
| 98 |
+
}
|
| 99 |
+
}
|
| 100 |
+
}
|
cdr_info/8vdl_H_L_C_cdr_info.json
ADDED
|
@@ -0,0 +1,193 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry_name": "8vdl_H_L_C",
|
| 3 |
+
"heavy_chain_id": "H",
|
| 4 |
+
"light_chain_id": "L",
|
| 5 |
+
"chain_mapping": {
|
| 6 |
+
"protenix_to_original": {
|
| 7 |
+
"A": "C",
|
| 8 |
+
"B": "H",
|
| 9 |
+
"C": "L"
|
| 10 |
+
},
|
| 11 |
+
"original_to_protenix": {
|
| 12 |
+
"C": "A",
|
| 13 |
+
"H": "B",
|
| 14 |
+
"L": "C"
|
| 15 |
+
},
|
| 16 |
+
"sequence_order": [
|
| 17 |
+
{
|
| 18 |
+
"protenix_chain": "A",
|
| 19 |
+
"original_chain": "C",
|
| 20 |
+
"seq_len": 164,
|
| 21 |
+
"entity_type": "proteinChain"
|
| 22 |
+
},
|
| 23 |
+
{
|
| 24 |
+
"protenix_chain": "B",
|
| 25 |
+
"original_chain": "H",
|
| 26 |
+
"seq_len": 241,
|
| 27 |
+
"entity_type": "proteinChain"
|
| 28 |
+
},
|
| 29 |
+
{
|
| 30 |
+
"protenix_chain": "C",
|
| 31 |
+
"original_chain": "L",
|
| 32 |
+
"seq_len": 212,
|
| 33 |
+
"entity_type": "proteinChain"
|
| 34 |
+
}
|
| 35 |
+
]
|
| 36 |
+
},
|
| 37 |
+
"cdr_info": {
|
| 38 |
+
"H_chain": {
|
| 39 |
+
"cdr_indices": [
|
| 40 |
+
25,
|
| 41 |
+
26,
|
| 42 |
+
27,
|
| 43 |
+
28,
|
| 44 |
+
29,
|
| 45 |
+
30,
|
| 46 |
+
31,
|
| 47 |
+
51,
|
| 48 |
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52,
|
| 49 |
+
53,
|
| 50 |
+
54,
|
| 51 |
+
55,
|
| 52 |
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56,
|
| 53 |
+
98,
|
| 54 |
+
99,
|
| 55 |
+
100,
|
| 56 |
+
101,
|
| 57 |
+
102,
|
| 58 |
+
103,
|
| 59 |
+
104,
|
| 60 |
+
105,
|
| 61 |
+
106,
|
| 62 |
+
107,
|
| 63 |
+
108,
|
| 64 |
+
109,
|
| 65 |
+
110,
|
| 66 |
+
111,
|
| 67 |
+
112,
|
| 68 |
+
113,
|
| 69 |
+
114,
|
| 70 |
+
115,
|
| 71 |
+
116,
|
| 72 |
+
117
|
| 73 |
+
],
|
| 74 |
+
"variable_domain_start_res_id": 1,
|
| 75 |
+
"cdr1": {
|
| 76 |
+
"indices": [
|
| 77 |
+
25,
|
| 78 |
+
26,
|
| 79 |
+
27,
|
| 80 |
+
28,
|
| 81 |
+
29,
|
| 82 |
+
30,
|
| 83 |
+
31
|
| 84 |
+
]
|
| 85 |
+
},
|
| 86 |
+
"cdr2": {
|
| 87 |
+
"indices": [
|
| 88 |
+
51,
|
| 89 |
+
52,
|
| 90 |
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53,
|
| 91 |
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54,
|
| 92 |
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55,
|
| 93 |
+
56
|
| 94 |
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]
|
| 95 |
+
},
|
| 96 |
+
"cdr3": {
|
| 97 |
+
"indices": [
|
| 98 |
+
98,
|
| 99 |
+
99,
|
| 100 |
+
100,
|
| 101 |
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|
| 102 |
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|
| 103 |
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103,
|
| 104 |
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104,
|
| 105 |
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|
| 106 |
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106,
|
| 107 |
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|
| 108 |
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108,
|
| 109 |
+
109,
|
| 110 |
+
110,
|
| 111 |
+
111,
|
| 112 |
+
112,
|
| 113 |
+
113,
|
| 114 |
+
114,
|
| 115 |
+
115,
|
| 116 |
+
116,
|
| 117 |
+
117
|
| 118 |
+
]
|
| 119 |
+
}
|
| 120 |
+
},
|
| 121 |
+
"L_chain": {
|
| 122 |
+
"cdr_indices": [
|
| 123 |
+
22,
|
| 124 |
+
23,
|
| 125 |
+
24,
|
| 126 |
+
25,
|
| 127 |
+
26,
|
| 128 |
+
27,
|
| 129 |
+
28,
|
| 130 |
+
29,
|
| 131 |
+
30,
|
| 132 |
+
46,
|
| 133 |
+
47,
|
| 134 |
+
48,
|
| 135 |
+
49,
|
| 136 |
+
50,
|
| 137 |
+
51,
|
| 138 |
+
52,
|
| 139 |
+
85,
|
| 140 |
+
86,
|
| 141 |
+
87,
|
| 142 |
+
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|
| 143 |
+
89,
|
| 144 |
+
90,
|
| 145 |
+
91,
|
| 146 |
+
92,
|
| 147 |
+
93,
|
| 148 |
+
94,
|
| 149 |
+
95
|
| 150 |
+
],
|
| 151 |
+
"variable_domain_start_res_id": 1,
|
| 152 |
+
"cdr1": {
|
| 153 |
+
"indices": [
|
| 154 |
+
22,
|
| 155 |
+
23,
|
| 156 |
+
24,
|
| 157 |
+
25,
|
| 158 |
+
26,
|
| 159 |
+
27,
|
| 160 |
+
28,
|
| 161 |
+
29,
|
| 162 |
+
30
|
| 163 |
+
]
|
| 164 |
+
},
|
| 165 |
+
"cdr2": {
|
| 166 |
+
"indices": [
|
| 167 |
+
46,
|
| 168 |
+
47,
|
| 169 |
+
48,
|
| 170 |
+
49,
|
| 171 |
+
50,
|
| 172 |
+
51,
|
| 173 |
+
52
|
| 174 |
+
]
|
| 175 |
+
},
|
| 176 |
+
"cdr3": {
|
| 177 |
+
"indices": [
|
| 178 |
+
85,
|
| 179 |
+
86,
|
| 180 |
+
87,
|
| 181 |
+
88,
|
| 182 |
+
89,
|
| 183 |
+
90,
|
| 184 |
+
91,
|
| 185 |
+
92,
|
| 186 |
+
93,
|
| 187 |
+
94,
|
| 188 |
+
95
|
| 189 |
+
]
|
| 190 |
+
}
|
| 191 |
+
}
|
| 192 |
+
}
|
| 193 |
+
}
|
cdr_info/8vqd_C_B_A_cdr_info.json
ADDED
|
@@ -0,0 +1,205 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
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|
|
|
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|
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|
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|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry_name": "8vqd_C_B_A",
|
| 3 |
+
"heavy_chain_id": "C",
|
| 4 |
+
"light_chain_id": "B",
|
| 5 |
+
"chain_mapping": {
|
| 6 |
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"protenix_to_original": {
|
| 7 |
+
"A": "A",
|
| 8 |
+
"B": "C",
|
| 9 |
+
"C": "B"
|
| 10 |
+
},
|
| 11 |
+
"original_to_protenix": {
|
| 12 |
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"A": "A",
|
| 13 |
+
"C": "B",
|
| 14 |
+
"B": "C"
|
| 15 |
+
},
|
| 16 |
+
"sequence_order": [
|
| 17 |
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{
|
| 18 |
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"protenix_chain": "A",
|
| 19 |
+
"original_chain": "A",
|
| 20 |
+
"seq_len": 894,
|
| 21 |
+
"entity_type": "proteinChain"
|
| 22 |
+
},
|
| 23 |
+
{
|
| 24 |
+
"protenix_chain": "B",
|
| 25 |
+
"original_chain": "C",
|
| 26 |
+
"seq_len": 257,
|
| 27 |
+
"entity_type": "proteinChain"
|
| 28 |
+
},
|
| 29 |
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{
|
| 30 |
+
"protenix_chain": "C",
|
| 31 |
+
"original_chain": "B",
|
| 32 |
+
"seq_len": 215,
|
| 33 |
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"entity_type": "proteinChain"
|
| 34 |
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}
|
| 35 |
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]
|
| 36 |
+
},
|
| 37 |
+
"cdr_info": {
|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
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| 59 |
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|
| 60 |
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|
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|
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|
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|
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|
| 65 |
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|
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|
| 67 |
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|
| 68 |
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|
| 69 |
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|
| 70 |
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|
| 71 |
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|
| 72 |
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|
| 73 |
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|
| 74 |
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"variable_domain_start_res_id": 4,
|
| 75 |
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|
| 76 |
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|
| 77 |
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|
| 78 |
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|
| 79 |
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|
| 80 |
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|
| 81 |
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|
| 82 |
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|
| 83 |
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|
| 84 |
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|
| 85 |
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|
| 86 |
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|
| 87 |
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|
| 88 |
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|
| 89 |
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|
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|
| 91 |
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|
| 92 |
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|
| 93 |
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|
| 94 |
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|
| 95 |
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|
| 96 |
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|
| 97 |
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|
| 98 |
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|
| 99 |
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|
| 100 |
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|
| 101 |
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|
| 102 |
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|
| 103 |
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|
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|
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|
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|
| 115 |
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|
| 116 |
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|
| 117 |
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|
| 118 |
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|
| 119 |
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|
| 120 |
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|
| 121 |
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|
| 122 |
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|
| 123 |
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
| 155 |
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|
| 156 |
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|
| 157 |
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|
| 158 |
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|
| 159 |
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|
| 160 |
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|
| 161 |
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|
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|
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|
| 164 |
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|
| 165 |
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|
| 166 |
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|
| 167 |
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|
| 168 |
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|
| 169 |
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|
| 170 |
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|
| 171 |
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|
| 172 |
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|
| 173 |
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|
| 174 |
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|
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|
| 176 |
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|
| 177 |
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|
| 178 |
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|
| 179 |
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|
| 180 |
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|
| 181 |
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|
| 182 |
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|
| 183 |
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|
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|
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|
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|
| 187 |
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
| 200 |
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|
| 201 |
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|
| 202 |
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|
| 203 |
+
}
|
| 204 |
+
}
|
| 205 |
+
}
|
cdr_info/8vvk_D_C_B_cdr_info.json
ADDED
|
@@ -0,0 +1,185 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry_name": "8vvk_D_C_B",
|
| 3 |
+
"heavy_chain_id": "D",
|
| 4 |
+
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|
| 5 |
+
"chain_mapping": {
|
| 6 |
+
"protenix_to_original": {
|
| 7 |
+
"A": "B",
|
| 8 |
+
"B": "C",
|
| 9 |
+
"C": "D"
|
| 10 |
+
},
|
| 11 |
+
"original_to_protenix": {
|
| 12 |
+
"B": "A",
|
| 13 |
+
"C": "B",
|
| 14 |
+
"D": "C"
|
| 15 |
+
},
|
| 16 |
+
"sequence_order": [
|
| 17 |
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{
|
| 18 |
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|
| 19 |
+
"original_chain": "B",
|
| 20 |
+
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|
| 21 |
+
"entity_type": "proteinChain"
|
| 22 |
+
},
|
| 23 |
+
{
|
| 24 |
+
"protenix_chain": "B",
|
| 25 |
+
"original_chain": "C",
|
| 26 |
+
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|
| 27 |
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"entity_type": "proteinChain"
|
| 28 |
+
},
|
| 29 |
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{
|
| 30 |
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"protenix_chain": "C",
|
| 31 |
+
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|
| 32 |
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|
| 33 |
+
"entity_type": "proteinChain"
|
| 34 |
+
}
|
| 35 |
+
]
|
| 36 |
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},
|
| 37 |
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|
| 38 |
+
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
| 60 |
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|
| 61 |
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|
| 62 |
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|
| 63 |
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|
| 64 |
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|
| 65 |
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|
| 66 |
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111
|
| 67 |
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|
| 68 |
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"variable_domain_start_res_id": 1,
|
| 69 |
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|
| 70 |
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|
| 71 |
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|
| 72 |
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|
| 73 |
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|
| 74 |
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|
| 75 |
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|
| 76 |
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|
| 77 |
+
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|
| 78 |
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|
| 79 |
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33
|
| 80 |
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|
| 81 |
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|
| 82 |
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"cdr2": {
|
| 83 |
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|
| 84 |
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|
| 85 |
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|
| 86 |
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|
| 87 |
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|
| 88 |
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|
| 89 |
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|
| 90 |
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|
| 91 |
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|
| 92 |
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|
| 93 |
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|
| 94 |
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|
| 95 |
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
| 106 |
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|
| 107 |
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|
| 108 |
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|
| 109 |
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|
| 110 |
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|
| 111 |
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
| 133 |
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91,
|
| 134 |
+
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|
| 135 |
+
93,
|
| 136 |
+
94,
|
| 137 |
+
95,
|
| 138 |
+
96,
|
| 139 |
+
97
|
| 140 |
+
],
|
| 141 |
+
"variable_domain_start_res_id": 1,
|
| 142 |
+
"cdr1": {
|
| 143 |
+
"indices": [
|
| 144 |
+
22,
|
| 145 |
+
23,
|
| 146 |
+
24,
|
| 147 |
+
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|
| 148 |
+
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|
| 149 |
+
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|
| 150 |
+
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|
| 151 |
+
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|
| 152 |
+
30,
|
| 153 |
+
31,
|
| 154 |
+
32
|
| 155 |
+
]
|
| 156 |
+
},
|
| 157 |
+
"cdr2": {
|
| 158 |
+
"indices": [
|
| 159 |
+
48,
|
| 160 |
+
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|
| 161 |
+
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|
| 162 |
+
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|
| 163 |
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|
| 164 |
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|
| 165 |
+
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|
| 166 |
+
]
|
| 167 |
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},
|
| 168 |
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"cdr3": {
|
| 169 |
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"indices": [
|
| 170 |
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|
| 171 |
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|
| 172 |
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|
| 173 |
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|
| 174 |
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|
| 175 |
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|
| 176 |
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|
| 177 |
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|
| 178 |
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|
| 179 |
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|
| 180 |
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|
| 181 |
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|
| 182 |
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}
|
| 183 |
+
}
|
| 184 |
+
}
|
| 185 |
+
}
|
cdr_info/8x9b_O_P_EI_cdr_info.json
ADDED
|
@@ -0,0 +1,181 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry_name": "8x9b_O_P_EI",
|
| 3 |
+
"heavy_chain_id": "O",
|
| 4 |
+
"light_chain_id": "P",
|
| 5 |
+
"chain_mapping": {
|
| 6 |
+
"protenix_to_original": {
|
| 7 |
+
"A": "E",
|
| 8 |
+
"B": "I",
|
| 9 |
+
"C": "O",
|
| 10 |
+
"D": "P"
|
| 11 |
+
},
|
| 12 |
+
"original_to_protenix": {
|
| 13 |
+
"E": "A",
|
| 14 |
+
"I": "B",
|
| 15 |
+
"O": "C",
|
| 16 |
+
"P": "D"
|
| 17 |
+
},
|
| 18 |
+
"sequence_order": [
|
| 19 |
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{
|
| 20 |
+
"protenix_chain": "A",
|
| 21 |
+
"original_chain": "E",
|
| 22 |
+
"seq_len": 297,
|
| 23 |
+
"entity_type": "proteinChain"
|
| 24 |
+
},
|
| 25 |
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{
|
| 26 |
+
"protenix_chain": "B",
|
| 27 |
+
"original_chain": "I",
|
| 28 |
+
"seq_len": 254,
|
| 29 |
+
"entity_type": "proteinChain"
|
| 30 |
+
},
|
| 31 |
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{
|
| 32 |
+
"protenix_chain": "C",
|
| 33 |
+
"original_chain": "O",
|
| 34 |
+
"seq_len": 114,
|
| 35 |
+
"entity_type": "proteinChain"
|
| 36 |
+
},
|
| 37 |
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{
|
| 38 |
+
"protenix_chain": "D",
|
| 39 |
+
"original_chain": "P",
|
| 40 |
+
"seq_len": 112,
|
| 41 |
+
"entity_type": "proteinChain"
|
| 42 |
+
}
|
| 43 |
+
]
|
| 44 |
+
},
|
| 45 |
+
"cdr_info": {
|
| 46 |
+
"H_chain": {
|
| 47 |
+
"cdr_indices": [
|
| 48 |
+
25,
|
| 49 |
+
26,
|
| 50 |
+
27,
|
| 51 |
+
28,
|
| 52 |
+
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|
| 53 |
+
30,
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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|
| 59 |
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|
| 60 |
+
56,
|
| 61 |
+
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|
| 62 |
+
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|
| 63 |
+
100,
|
| 64 |
+
101,
|
| 65 |
+
102
|
| 66 |
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],
|
| 67 |
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"variable_domain_start_res_id": 1,
|
| 68 |
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"cdr1": {
|
| 69 |
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"indices": [
|
| 70 |
+
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|
| 71 |
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26,
|
| 72 |
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|
| 73 |
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|
| 74 |
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29,
|
| 75 |
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30,
|
| 76 |
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|
| 77 |
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]
|
| 78 |
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},
|
| 79 |
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"cdr2": {
|
| 80 |
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"indices": [
|
| 81 |
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|
| 82 |
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|
| 83 |
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|
| 84 |
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|
| 85 |
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|
| 86 |
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|
| 87 |
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]
|
| 88 |
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},
|
| 89 |
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"cdr3": {
|
| 90 |
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|
| 91 |
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|
| 92 |
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|
| 93 |
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100,
|
| 94 |
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|
| 95 |
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|
| 96 |
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|
| 97 |
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}
|
| 98 |
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},
|
| 99 |
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"L_chain": {
|
| 100 |
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|
| 101 |
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|
| 102 |
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|
| 103 |
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|
| 104 |
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|
| 105 |
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|
| 106 |
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|
| 107 |
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|
| 108 |
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|
| 109 |
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|
| 110 |
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|
| 111 |
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|
| 112 |
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|
| 113 |
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|
| 114 |
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|
| 115 |
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|
| 116 |
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|
| 117 |
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|
| 118 |
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|
| 119 |
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|
| 120 |
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|
| 121 |
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|
| 122 |
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|
| 123 |
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|
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|
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|
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|
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|
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|
| 129 |
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|
| 130 |
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|
| 131 |
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|
| 132 |
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|
| 133 |
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|
| 134 |
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"variable_domain_start_res_id": 1,
|
| 135 |
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|
| 136 |
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|
| 137 |
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|
| 138 |
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|
| 139 |
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|
| 140 |
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|
| 141 |
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|
| 142 |
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|
| 143 |
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|
| 144 |
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|
| 145 |
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|
| 146 |
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|
| 147 |
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|
| 148 |
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|
| 149 |
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|
| 150 |
+
36,
|
| 151 |
+
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|
| 152 |
+
38
|
| 153 |
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|
| 154 |
+
},
|
| 155 |
+
"cdr2": {
|
| 156 |
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|
| 157 |
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|
| 158 |
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|
| 159 |
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|
| 160 |
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|
| 161 |
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|
| 162 |
+
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|
| 163 |
+
60
|
| 164 |
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|
| 165 |
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|
| 166 |
+
"cdr3": {
|
| 167 |
+
"indices": [
|
| 168 |
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|
| 169 |
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|
| 170 |
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|
| 171 |
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|
| 172 |
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|
| 173 |
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|
| 174 |
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|
| 175 |
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|
| 176 |
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101
|
| 177 |
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|
| 178 |
+
}
|
| 179 |
+
}
|
| 180 |
+
}
|
| 181 |
+
}
|
cdr_info/8zc5_E_C_B_cdr_info.json
ADDED
|
@@ -0,0 +1,197 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
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|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
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|
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|
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|
|
|
|
|
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|
|
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|
|
|
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|
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|
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|
|
|
|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry_name": "8zc5_E_C_B",
|
| 3 |
+
"heavy_chain_id": "E",
|
| 4 |
+
"light_chain_id": "C",
|
| 5 |
+
"chain_mapping": {
|
| 6 |
+
"protenix_to_original": {
|
| 7 |
+
"A": "B",
|
| 8 |
+
"B": "C",
|
| 9 |
+
"C": "E"
|
| 10 |
+
},
|
| 11 |
+
"original_to_protenix": {
|
| 12 |
+
"B": "A",
|
| 13 |
+
"C": "B",
|
| 14 |
+
"E": "C"
|
| 15 |
+
},
|
| 16 |
+
"sequence_order": [
|
| 17 |
+
{
|
| 18 |
+
"protenix_chain": "A",
|
| 19 |
+
"original_chain": "B",
|
| 20 |
+
"seq_len": 196,
|
| 21 |
+
"entity_type": "proteinChain"
|
| 22 |
+
},
|
| 23 |
+
{
|
| 24 |
+
"protenix_chain": "B",
|
| 25 |
+
"original_chain": "C",
|
| 26 |
+
"seq_len": 110,
|
| 27 |
+
"entity_type": "proteinChain"
|
| 28 |
+
},
|
| 29 |
+
{
|
| 30 |
+
"protenix_chain": "C",
|
| 31 |
+
"original_chain": "E",
|
| 32 |
+
"seq_len": 127,
|
| 33 |
+
"entity_type": "proteinChain"
|
| 34 |
+
}
|
| 35 |
+
]
|
| 36 |
+
},
|
| 37 |
+
"cdr_info": {
|
| 38 |
+
"H_chain": {
|
| 39 |
+
"cdr_indices": [
|
| 40 |
+
25,
|
| 41 |
+
26,
|
| 42 |
+
27,
|
| 43 |
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28,
|
| 44 |
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|
| 45 |
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|
| 46 |
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31,
|
| 47 |
+
51,
|
| 48 |
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52,
|
| 49 |
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53,
|
| 50 |
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54,
|
| 51 |
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| 52 |
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|
| 53 |
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| 54 |
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|
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| 59 |
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| 60 |
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|
| 61 |
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| 62 |
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|
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|
| 64 |
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|
| 65 |
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|
| 66 |
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|
| 67 |
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|
| 68 |
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|
| 69 |
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|
| 70 |
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|
| 71 |
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|
| 72 |
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|
| 73 |
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|
| 74 |
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|
| 75 |
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|
| 76 |
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|
| 77 |
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|
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|
| 79 |
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|
| 80 |
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| 81 |
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|
| 82 |
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|
| 83 |
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|
| 84 |
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|
| 85 |
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|
| 86 |
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|
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|
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| 95 |
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|
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|
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|
| 116 |
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|
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|
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|
| 151 |
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|
| 152 |
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|
| 153 |
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|
| 154 |
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|
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|
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| 169 |
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|
| 170 |
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|
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|
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|
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|
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|
| 178 |
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|
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|
| 180 |
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|
| 181 |
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|
| 182 |
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|
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|
| 194 |
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|
| 195 |
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}
|
| 196 |
+
}
|
| 197 |
+
}
|
cdr_info/8zhe_H_L_A_cdr_info.json
ADDED
|
@@ -0,0 +1,179 @@
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|
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|
|
|
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|
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|
|
|
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|
|
|
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|
|
|
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|
|
|
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|
|
|
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|
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|
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|
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|
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|
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|
|
|
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|
|
|
|
|
|
|
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|
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|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
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|
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|
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|
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|
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|
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|
|
|
|
|
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|
|
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|
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|
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|
|
|
|
|
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|
|
|
| 1 |
+
{
|
| 2 |
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"entry_name": "8zhe_H_L_A",
|
| 3 |
+
"heavy_chain_id": "H",
|
| 4 |
+
"light_chain_id": "L",
|
| 5 |
+
"chain_mapping": {
|
| 6 |
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"protenix_to_original": {
|
| 7 |
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"A": "A",
|
| 8 |
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"B": "H",
|
| 9 |
+
"C": "L"
|
| 10 |
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},
|
| 11 |
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"original_to_protenix": {
|
| 12 |
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"A": "A",
|
| 13 |
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"H": "B",
|
| 14 |
+
"L": "C"
|
| 15 |
+
},
|
| 16 |
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"sequence_order": [
|
| 17 |
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{
|
| 18 |
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"protenix_chain": "A",
|
| 19 |
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"original_chain": "A",
|
| 20 |
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"seq_len": 1278,
|
| 21 |
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"entity_type": "proteinChain"
|
| 22 |
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},
|
| 23 |
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{
|
| 24 |
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"protenix_chain": "B",
|
| 25 |
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"original_chain": "H",
|
| 26 |
+
"seq_len": 243,
|
| 27 |
+
"entity_type": "proteinChain"
|
| 28 |
+
},
|
| 29 |
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{
|
| 30 |
+
"protenix_chain": "C",
|
| 31 |
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"original_chain": "L",
|
| 32 |
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"seq_len": 240,
|
| 33 |
+
"entity_type": "proteinChain"
|
| 34 |
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}
|
| 35 |
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]
|
| 36 |
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},
|
| 37 |
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"cdr_info": {
|
| 38 |
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"H_chain": {
|
| 39 |
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"cdr_indices": [
|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
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|
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|
| 53 |
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|
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|
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|
| 58 |
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|
| 59 |
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|
| 60 |
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|
| 61 |
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|
| 62 |
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107,
|
| 63 |
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|
| 64 |
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],
|
| 65 |
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"variable_domain_start_res_id": 20,
|
| 66 |
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|
| 67 |
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|
| 68 |
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|
| 69 |
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|
| 70 |
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|
| 71 |
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|
| 72 |
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|
| 73 |
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|
| 74 |
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|
| 75 |
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|
| 76 |
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|
| 77 |
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|
| 78 |
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|
| 79 |
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|
| 80 |
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|
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|
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|
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|
| 84 |
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|
| 85 |
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|
| 86 |
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|
| 87 |
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|
| 88 |
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|
| 89 |
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|
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|
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|
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|
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|
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|
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|
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|
| 100 |
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|
| 101 |
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|
| 102 |
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|
| 103 |
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|
| 104 |
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|
| 105 |
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
| 135 |
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|
| 136 |
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|
| 137 |
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|
| 138 |
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
| 152 |
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|
| 153 |
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|
| 154 |
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|
| 155 |
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|
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|
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|
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|
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|
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|
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|
| 162 |
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|
| 163 |
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|
| 164 |
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|
| 165 |
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|
| 166 |
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|
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|
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|
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|
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|
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|
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|
| 174 |
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|
| 175 |
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|
| 176 |
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}
|
| 177 |
+
}
|
| 178 |
+
}
|
| 179 |
+
}
|
protenix_json/8q7o_A__C.json
ADDED
|
@@ -0,0 +1,83 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
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|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
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|
|
|
|
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|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
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|
|
|
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|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
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|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
[
|
| 2 |
+
{
|
| 3 |
+
"sequences": [
|
| 4 |
+
{
|
| 5 |
+
"proteinChain": {
|
| 6 |
+
"sequence": "ETGQVQLVESGGGLVQAGGSLRLSCAASGSISSINAMGWYRQAPGKQRELVAAITSGGSTNYADSVKGRFTISRDNAKNTVYLQMNSLKPGDTAVYYCNLLYYIDYVEYDYWGQGTQVTVSSGT",
|
| 7 |
+
"count": 1,
|
| 8 |
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"label_entity_id": "1",
|
| 9 |
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"label_asym_id": [
|
| 10 |
+
"A"
|
| 11 |
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],
|
| 12 |
+
"auth_asym_id": [
|
| 13 |
+
"A"
|
| 14 |
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]
|
| 15 |
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}
|
| 16 |
+
},
|
| 17 |
+
{
|
| 18 |
+
"proteinChain": {
|
| 19 |
+
"sequence": "ETGFSCEPITLRMCQDLPYNTTFMPNLLNHYDQQTAALAMEPFHPMVNLDCSRDFRPFLCALYAPICMEYGRVTLPCRRLCQRAYSECSKLMEMFGVPWPEDMECSRFPDCDEPYPGTLEVLFQ",
|
| 20 |
+
"count": 1,
|
| 21 |
+
"label_entity_id": "2",
|
| 22 |
+
"label_asym_id": [
|
| 23 |
+
"C"
|
| 24 |
+
],
|
| 25 |
+
"auth_asym_id": [
|
| 26 |
+
"C"
|
| 27 |
+
]
|
| 28 |
+
}
|
| 29 |
+
}
|
| 30 |
+
],
|
| 31 |
+
"covalent_bonds": [
|
| 32 |
+
{
|
| 33 |
+
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|
| 34 |
+
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|
| 35 |
+
"atom1": "SG",
|
| 36 |
+
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|
| 37 |
+
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|
| 38 |
+
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|
| 39 |
+
},
|
| 40 |
+
{
|
| 41 |
+
"entity1": 2,
|
| 42 |
+
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|
| 43 |
+
"atom1": "SG",
|
| 44 |
+
"entity2": 2,
|
| 45 |
+
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|
| 46 |
+
"atom2": "SG"
|
| 47 |
+
},
|
| 48 |
+
{
|
| 49 |
+
"entity1": 2,
|
| 50 |
+
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|
| 51 |
+
"atom1": "SG",
|
| 52 |
+
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|
| 53 |
+
"position2": 60,
|
| 54 |
+
"atom2": "SG"
|
| 55 |
+
},
|
| 56 |
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{
|
| 57 |
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|
| 58 |
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|
| 59 |
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"atom1": "SG",
|
| 60 |
+
"entity2": 2,
|
| 61 |
+
"position2": 88,
|
| 62 |
+
"atom2": "SG"
|
| 63 |
+
},
|
| 64 |
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{
|
| 65 |
+
"entity1": 2,
|
| 66 |
+
"position1": 77,
|
| 67 |
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"atom1": "SG",
|
| 68 |
+
"entity2": 2,
|
| 69 |
+
"position2": 111,
|
| 70 |
+
"atom2": "SG"
|
| 71 |
+
},
|
| 72 |
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{
|
| 73 |
+
"entity1": 2,
|
| 74 |
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"position1": 81,
|
| 75 |
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"atom1": "SG",
|
| 76 |
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"entity2": 2,
|
| 77 |
+
"position2": 105,
|
| 78 |
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"atom2": "SG"
|
| 79 |
+
}
|
| 80 |
+
],
|
| 81 |
+
"name": "8q7o_A__C"
|
| 82 |
+
}
|
| 83 |
+
]
|
protenix_json/8qq0_E_D_A.json
ADDED
|
@@ -0,0 +1,112 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
[
|
| 2 |
+
{
|
| 3 |
+
"sequences": [
|
| 4 |
+
{
|
| 5 |
+
"proteinChain": {
|
| 6 |
+
"sequence": "MFVFLVLLPLVSSQCVNLTTRTQLPPAYTNSFTRGVYYPDKVFRSSVLHSTQDLFLPFFSNVTWFHAIHVSGTNGTKRFDNPVLPFNDGVYFASTEKSNIIRGWIFGTTLDSKTQSLLIVNNATNVVIKVCEFQFCNDPFLGVYYHKNNKSWMESEFRVYSSANNCTFEYVSQPFLMDLEGKQGNFKNLREFVFKNIDGYFKIYSKHTPINLVRDLPQGFSALEPLVDLPIGINITRFQTLLALHRSYLTPGDSSSGWTAGAAAYYVGYLQPRTFLLKYNENGTITDAVDCALDPLSETKCTLKSFTVEKGIYQTSNFRVQPTESIVRFPNITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPKKSTNLVKNKCVNFNFNGLTGTGVLTESNKKFLPFQQFGRDIADTTDAVRDPQTLEILDITPCSFGGVSVITPGTNTSNQVAVLYQDVNCTEVPVAIHADQLTPTWRVYSTGSNVFQTRAGCLIGAEHVNNSYECDIPIGAGICASYQTQTNSPGSASSVASQSIIAYTMSLGAENSVAYSNNSIAIPTNFTISVTTEILPVSMTKTSVDCTMYICGDSTECSNLLLQYGSFCTQLNRALTGIAVEQDKNTQEVFAQVKQIYKTPPIKDFGGFNFSQILPDPSKPSKRSPIEDLLFNKVTLADAGFIKQYGDCLGDIAARDLICAQKFNGLTVLPPLLTDEMIAQYTSALLAGTITSGWTFGAGPALQIPFPMQMAYRFNGIGVTQNVLYENQKLIANQFNSAIGKIQDSLSSTPSALGKLQDVVNQNAQALNTLVKQLSSNFGAISSVLNDILSRLDPPEAEVQIDRLITGRLQSLQTYVTQQLIRAAEIRASANLAATKMSECVLGQSKRVDFCGKGYHLMSFPQSAPHGVVFLHVTYVPAQEKNFTTAPAICHDGKAHFPREGVFVSNGTHWFVTQRNFYEPQIITTDNTFVSGNCDVVIGIVNNTVYDPLQPELDSFKEELDKYFKNHTSPDVDLGDISGINASVVNIQKEIDRLNEVAKNLNESLIDLQELGKYEQGSGYIPEAPRDGQAYVRKDGEWVLLSTFLGRSLEVLFQGPGHHHHHHHHSAWSHPQFEKGGGSGGGGSGGSAWSHPQFEK",
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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"auth_asym_id": [
|
| 13 |
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"A"
|
| 14 |
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]
|
| 15 |
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}
|
| 16 |
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},
|
| 17 |
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{
|
| 18 |
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"proteinChain": {
|
| 19 |
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"sequence": "QSALTQPPSASGSPGQSVTISCTGTRSDVDGYNYVSWYQQHPGKAPKLMIYEVTKRPSGVPDRFSGSKSGNTASLTVSGLQAEDEADYYCSSYAGINNWVFGGGTKLTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS",
|
| 20 |
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| 21 |
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|
| 22 |
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| 23 |
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|
| 24 |
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| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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},
|
| 30 |
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{
|
| 31 |
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"proteinChain": {
|
| 32 |
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"sequence": "EVQLVQSGAEVKKPGASVKVSCKASGYTFTDHYIHWVRQAPGQGLEWMGWINPNSGGTNYTQKFKGRVTLTRDRSISTAYMDLSRLRSDDTAVYYCAKDVPPYIVSGWLDCWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTH",
|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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],
|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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{
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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|
| 59 |
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|
| 60 |
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|
| 61 |
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{
|
| 62 |
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|
| 63 |
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|
| 64 |
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|
| 65 |
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|
| 66 |
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|
| 67 |
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|
| 68 |
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|
| 69 |
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{
|
| 70 |
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|
| 71 |
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|
| 72 |
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|
| 73 |
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|
| 74 |
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|
| 75 |
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|
| 76 |
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|
| 77 |
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{
|
| 78 |
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|
| 79 |
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|
| 80 |
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|
| 81 |
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|
| 82 |
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|
| 83 |
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|
| 84 |
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|
| 85 |
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{
|
| 86 |
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|
| 87 |
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|
| 88 |
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|
| 89 |
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|
| 90 |
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|
| 91 |
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|
| 92 |
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|
| 93 |
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{
|
| 94 |
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|
| 95 |
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|
| 96 |
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|
| 97 |
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|
| 98 |
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|
| 99 |
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"atom2": "SG"
|
| 100 |
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|
| 101 |
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{
|
| 102 |
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"entity1": 3,
|
| 103 |
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|
| 104 |
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|
| 105 |
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|
| 106 |
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|
| 107 |
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"atom2": "SG"
|
| 108 |
+
}
|
| 109 |
+
],
|
| 110 |
+
"name": "8qq0_E_D_A"
|
| 111 |
+
}
|
| 112 |
+
]
|
protenix_json/8rvn_H_L_F.json
ADDED
|
@@ -0,0 +1,104 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
[
|
| 2 |
+
{
|
| 3 |
+
"sequences": [
|
| 4 |
+
{
|
| 5 |
+
"proteinChain": {
|
| 6 |
+
"sequence": "GILHYEKLSKIGLVKGVTRKYKIKSNPLTKDIVIKMIPNVSNMSQCTGSVMENYKTRLNGILTPIKGALEIYKNNTHDLVGDVRLAGVIMAGVAIGIATAAQITAGVALYEAMKNADNINKLKSSIESTNEAVVKLQETAEKTVYVLTALQDYINTNLVPTIDKISCKQTELSLDLALSKYLSDLLFVFGPNLQDPVSNSMTIQAISQAFGGNYETLLRTLGYATEDFDDLLESDSITGQIIYVDLSSYYIIVRVYFPILTEIQQAYIQELLPVSFNNDNSEWISIVPNFILVRNTLISNIEIGFCLITKRSVICNQDYATPMTNNMRECLTGSTEKCPRELVVSSHVPRFALSNGVLFANCISVTCQCQTTGRAISQSGEQTLLMIDNTTCPTAVLGNVIISLGKYLGSVNYNSEGIAIGPPVFTDKVDISSQISSMNQSLQQSKDYIKEAQRLLDGTMKQIEDKIEEILSKIYHIENEIARIKKLIGEGGSHHHHHH",
|
| 7 |
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"count": 1,
|
| 8 |
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"label_entity_id": "1",
|
| 9 |
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"label_asym_id": [
|
| 10 |
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"A"
|
| 11 |
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],
|
| 12 |
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"auth_asym_id": [
|
| 13 |
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"F"
|
| 14 |
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]
|
| 15 |
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}
|
| 16 |
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},
|
| 17 |
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{
|
| 18 |
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"proteinChain": {
|
| 19 |
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"sequence": "QSLEESGGRLVTPGTPLTLTCTASGFSLSSYYMMWVRQAPGKGLEWIGIINTGGNAYYASWTKGRFTISKTSTTVDLKITSPTTEDTATYFCARAVPSGAGYSAGGLWGPGTLVTVSSGQPKAPSVFPLAPCCGDTPSSTVTLGCLVKGYLPEPVTVTWNSGTLTNGVRTFPSVRQSSGLYSLSSVVSVTSSSQPVTCNVAHPATNTKVDKTVAPSTCNK",
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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}
|
| 29 |
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|
| 30 |
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{
|
| 31 |
+
"proteinChain": {
|
| 32 |
+
"sequence": "DQVLTQTPASVEAAVGGTVTIKCQASQSVGFYLSWYQQKPGQPPKLLIYRASTLESGVPSRFKGSGSGTEFTLTISDLECADAATYYCQTNDYLASSAFGGGTEVVVRGDPVAPTVLIFPPAADQVATGTVTIVCVANKYFPDVTVTWEVDGTTQTTGIENSKTPQNSADCTYNLSSTLTLTSTQYNSHKEYTCKVTQGTTSVVQSFSRKNC",
|
| 33 |
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"count": 1,
|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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]
|
| 41 |
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}
|
| 42 |
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}
|
| 43 |
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],
|
| 44 |
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|
| 45 |
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{
|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
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| 57 |
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| 58 |
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|
| 59 |
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|
| 60 |
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|
| 61 |
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{
|
| 62 |
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|
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|
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| 65 |
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|
| 68 |
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| 69 |
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{
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| 70 |
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|
| 71 |
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|
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| 77 |
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{
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| 78 |
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|
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|
| 81 |
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|
| 82 |
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|
| 83 |
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|
| 84 |
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| 85 |
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{
|
| 86 |
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|
| 87 |
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|
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| 89 |
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|
| 90 |
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|
| 91 |
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|
| 92 |
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|
| 93 |
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{
|
| 94 |
+
"entity1": 3,
|
| 95 |
+
"position1": 23,
|
| 96 |
+
"atom1": "SG",
|
| 97 |
+
"entity2": 3,
|
| 98 |
+
"position2": 88,
|
| 99 |
+
"atom2": "SG"
|
| 100 |
+
}
|
| 101 |
+
],
|
| 102 |
+
"name": "8rvn_H_L_F"
|
| 103 |
+
}
|
| 104 |
+
]
|
protenix_json/8scx_H_L_C.json
ADDED
|
@@ -0,0 +1,64 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
[
|
| 2 |
+
{
|
| 3 |
+
"sequences": [
|
| 4 |
+
{
|
| 5 |
+
"proteinChain": {
|
| 6 |
+
"sequence": "MHRSTFIRTSGTSSRTLTARYRSQYTGLLVARVLFSTSTTRAQGGNPRSPLQIFRDTFKKEWEKSQELQENIKTLQDASGKLGESEAYKKAREAYLKAQRGSTIVGKTLKKTGETMEHIATKAWESELGKNTRKAAAATAKKLDESFEPVRQTKIYKEVSEVIDDGESSRYGGFITKEQRRLKRERDLASGKRHRAVKSNEDAGTAVVATNIESKESFGKKVEDFKEKTVVGRSIQSLKNKLWDESENPLIVVMRKITNKVGGFFAETESSRVYSQFKLMDPTFSNESFTRHLREYIVPEILEAYVKGDVKVLKKWFSEAPFNVYAAQQKIFKEQDVYADGRILDIRGVEIVSAKLLAPQDIPVLVVGCRAQEINLYRKKKTGEIAAGDEANILMSSYAMVFTRDPEQIDDDETEGWKILEFVRGGSRQFT",
|
| 7 |
+
"count": 1,
|
| 8 |
+
"label_entity_id": "3",
|
| 9 |
+
"label_asym_id": [
|
| 10 |
+
"C"
|
| 11 |
+
],
|
| 12 |
+
"auth_asym_id": [
|
| 13 |
+
"C"
|
| 14 |
+
]
|
| 15 |
+
}
|
| 16 |
+
},
|
| 17 |
+
{
|
| 18 |
+
"proteinChain": {
|
| 19 |
+
"sequence": "MEKDTLLLWVLLLWVPGSTGDIVLTQSPASLAVSLGQRATISCRASESVDIYGISFMNWFQQKPGQPPKLLIYATSNQGSGVPARFSGSGSGTDFSLNIHPMEEDDTAMYFCQQSKEVPRTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC",
|
| 20 |
+
"count": 1,
|
| 21 |
+
"label_entity_id": "4",
|
| 22 |
+
"label_asym_id": [
|
| 23 |
+
"D"
|
| 24 |
+
],
|
| 25 |
+
"auth_asym_id": [
|
| 26 |
+
"L"
|
| 27 |
+
]
|
| 28 |
+
}
|
| 29 |
+
},
|
| 30 |
+
{
|
| 31 |
+
"proteinChain": {
|
| 32 |
+
"sequence": "MAVLVLLLCLVTFPSCVLSQVQLKQSGPGLVQPSQSLSITCTVSGFSLTTYGVHWVRQSPGKGLEWLGVMWRGGSTDFNAAFMSRLSITKDNSKSQVFFKMNSLQADDTAIYYCARYGNYDAMDYWGQGTSVTVSSAKTTPPSVYPLAPGSAAQTNSMVTLGCLVKGYFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSPRPSETVTCNVAHPASSTKVDKKIVPRDC",
|
| 33 |
+
"count": 1,
|
| 34 |
+
"label_entity_id": "5",
|
| 35 |
+
"label_asym_id": [
|
| 36 |
+
"E"
|
| 37 |
+
],
|
| 38 |
+
"auth_asym_id": [
|
| 39 |
+
"H"
|
| 40 |
+
]
|
| 41 |
+
}
|
| 42 |
+
}
|
| 43 |
+
],
|
| 44 |
+
"covalent_bonds": [
|
| 45 |
+
{
|
| 46 |
+
"entity1": 2,
|
| 47 |
+
"position1": 43,
|
| 48 |
+
"atom1": "SG",
|
| 49 |
+
"entity2": 2,
|
| 50 |
+
"position2": 112,
|
| 51 |
+
"atom2": "SG"
|
| 52 |
+
},
|
| 53 |
+
{
|
| 54 |
+
"entity1": 3,
|
| 55 |
+
"position1": 41,
|
| 56 |
+
"atom1": "SG",
|
| 57 |
+
"entity2": 3,
|
| 58 |
+
"position2": 114,
|
| 59 |
+
"atom2": "SG"
|
| 60 |
+
}
|
| 61 |
+
],
|
| 62 |
+
"name": "8scx_H_L_C"
|
| 63 |
+
}
|
| 64 |
+
]
|
protenix_json/8sfx_D__B.json
ADDED
|
@@ -0,0 +1,49 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
[
|
| 2 |
+
{
|
| 3 |
+
"sequences": [
|
| 4 |
+
{
|
| 5 |
+
"proteinChain": {
|
| 6 |
+
"sequence": "MASKGEELFTGVVPILVELDGDVNGHKFSVSGEGEGDATYGKLTLKFICTTGKLPVPWPTLVTTFXVQCFARYPDHMKQHDFFKSAMPEGYVQERTIFFKDDGNYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNYNSHNVYIMADKQKNGIKVNFKIRHNIEDGSVHLADHYQQNTPIGDGPVLLPDNHYLSTQSALSKDPNEKRDHMVLLEFVTAAGITHGMDELYKGLEVLFQGPSHHHHHH",
|
| 7 |
+
"count": 1,
|
| 8 |
+
"label_entity_id": "1",
|
| 9 |
+
"label_asym_id": [
|
| 10 |
+
"B"
|
| 11 |
+
],
|
| 12 |
+
"auth_asym_id": [
|
| 13 |
+
"B"
|
| 14 |
+
],
|
| 15 |
+
"modifications": [
|
| 16 |
+
{
|
| 17 |
+
"ptmPosition": 66,
|
| 18 |
+
"ptmType": "CCD_CR2"
|
| 19 |
+
}
|
| 20 |
+
]
|
| 21 |
+
}
|
| 22 |
+
},
|
| 23 |
+
{
|
| 24 |
+
"proteinChain": {
|
| 25 |
+
"sequence": "GSMAQVQLVESGGGLVQAGGSLRLSCAASGPTGAMAWFRQAPGMEREFVGGISGSETDTYYADFVKGRLTVDRDNVKNTVDLQMNSLKPEDTAVYYCAARRRVTLFTSRADYDFWGQGTQVTVSGLEVLFQGPSLEHHHHHH",
|
| 26 |
+
"count": 1,
|
| 27 |
+
"label_entity_id": "2",
|
| 28 |
+
"label_asym_id": [
|
| 29 |
+
"C"
|
| 30 |
+
],
|
| 31 |
+
"auth_asym_id": [
|
| 32 |
+
"D"
|
| 33 |
+
]
|
| 34 |
+
}
|
| 35 |
+
}
|
| 36 |
+
],
|
| 37 |
+
"covalent_bonds": [
|
| 38 |
+
{
|
| 39 |
+
"entity1": 2,
|
| 40 |
+
"position1": 26,
|
| 41 |
+
"atom1": "SG",
|
| 42 |
+
"entity2": 2,
|
| 43 |
+
"position2": 97,
|
| 44 |
+
"atom2": "SG"
|
| 45 |
+
}
|
| 46 |
+
],
|
| 47 |
+
"name": "8sfx_D__B"
|
| 48 |
+
}
|
| 49 |
+
]
|
protenix_json/8sgj_H_L_A.json
ADDED
|
@@ -0,0 +1,72 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
[
|
| 2 |
+
{
|
| 3 |
+
"sequences": [
|
| 4 |
+
{
|
| 5 |
+
"proteinChain": {
|
| 6 |
+
"sequence": "MYNMRRLSLSPTFSMGFHLLVTVSLLFSHVDHVIAETEMEGEGNETGECTGSYYCKKGVILPIWEPQDPSFGDKIARATVYFVAMVYMFLGVSIIADRFMSSIEVITSQEKEITIKKPNGETTKTTVRIWNETVSNLTLMALGSSAPEILLSVIEVCGHNFTAGDLGPSTIVGSAAFNMFIIIALCVYVVPDGETRKIKHLRVFFVTAAWSIFAYTWLYIILSVISPGVVEVWEGLLTFFFFPICVVFAWVADRRLLFYKYVYKRYRAGKQRGMIIEHEGDRPSSKTEIEMDGKVVNSHVENFLDGALVLEVDERDQDDEEARREMARILKELKQKHPDKEIEQLIELANYQVLSQQQKSRAFYRIQATRLMTGATENDPVSKIFFEQGTYQCLENCGTVALTIIRRGGDLTNTVFVDFRTEDGTANAGSDYEFTEGTVVFKPGDTQKEIRVGIIDDDIFEEDENFLVHLSNVKVSSEASEDGILEANHVSTLACLGSPSTATVTIFDDDHAGIFTFEEPVTHVSESIGIMEVKVLRTSGARGNVIVPYKTIEGTARGGGEDFEDTCGELEFQNDEIVKTISVKVIDDEEYEKNKTFFLEIGEPRLVEMSEKKALLLNELGGFTITGKYLFGQPVFRKVHAREHPILSTVITIADEYDDKQPLTSKEEEERRIAEMGRPILGEHTKLEVIIEESYEFKSTVDKLIKKTNLALVVGTNSWREQFIEAITVSAGEDDDDDECGEEKLPSCFDYVMHFLTVFWKVLFAFVPPTEYWNGWACFIVSILMIGLLTAFIGDLASHFGCTIGLKDSVTAVVFVALGTSVPDTFASKVAATQDQYADASIGNVTGSNAVNVFLGIGVAWSIAAIYHAANGEQFKVSPGTLAFSVTLFTIFAFINVGVLLYRRRPEIGGELGGPRTAKLLTSCLFVLLWLLYIFFSSLEAYCHIKGFAAAGGSWSHPQFEKGGGSGGGSGGSAWSHPQFEK",
|
| 7 |
+
"count": 1,
|
| 8 |
+
"label_entity_id": "1",
|
| 9 |
+
"label_asym_id": [
|
| 10 |
+
"A"
|
| 11 |
+
],
|
| 12 |
+
"auth_asym_id": [
|
| 13 |
+
"A"
|
| 14 |
+
]
|
| 15 |
+
}
|
| 16 |
+
},
|
| 17 |
+
{
|
| 18 |
+
"proteinChain": {
|
| 19 |
+
"sequence": "QAVVTQESALTTSPGETVTLTCRSSTGAVTTSNYANWVQEKPDHLFTGLIGGTNNRVPGVPARFSGSLIGDKAALTITGAQTEDEAIYFCALWYSNHWVFGGGTKLTVLGQPKSSPSVTLFPPSSEELETNKATLVCTITDFYPGVVTVDWKVDGTPVTQGMETTQPSKQSNNKYMASSYLTLTARAWERHSSYSCQVTHEG",
|
| 20 |
+
"count": 1,
|
| 21 |
+
"label_entity_id": "2",
|
| 22 |
+
"label_asym_id": [
|
| 23 |
+
"B"
|
| 24 |
+
],
|
| 25 |
+
"auth_asym_id": [
|
| 26 |
+
"L"
|
| 27 |
+
]
|
| 28 |
+
}
|
| 29 |
+
},
|
| 30 |
+
{
|
| 31 |
+
"proteinChain": {
|
| 32 |
+
"sequence": "QVQLQQSGAELARPGASVKLSCKATGYSFTSYWMQWVKQRPGQGMEWIGAIYPGDVTSRYTQKFKGKATLTADKSSSTAFMQLRSLASEDSAVYYCARWSGYYGSSSFDYWGQGTTLTVSSAKTTPPSVYPLAPGCGDTTGSSVTLGCLVKGYFPESVTVTWNSGSLSSSVHTFPALLQSGLYTMSSSVTVPSSTWPSQTVTCSVAHPASSTTVDKKLEPSGPISTINPCPPCKECHKCPAPNLEGGPS",
|
| 33 |
+
"count": 1,
|
| 34 |
+
"label_entity_id": "3",
|
| 35 |
+
"label_asym_id": [
|
| 36 |
+
"C"
|
| 37 |
+
],
|
| 38 |
+
"auth_asym_id": [
|
| 39 |
+
"H"
|
| 40 |
+
]
|
| 41 |
+
}
|
| 42 |
+
}
|
| 43 |
+
],
|
| 44 |
+
"covalent_bonds": [
|
| 45 |
+
{
|
| 46 |
+
"entity1": 1,
|
| 47 |
+
"position1": 55,
|
| 48 |
+
"atom1": "SG",
|
| 49 |
+
"entity2": 1,
|
| 50 |
+
"position2": 802,
|
| 51 |
+
"atom2": "SG"
|
| 52 |
+
},
|
| 53 |
+
{
|
| 54 |
+
"entity1": 2,
|
| 55 |
+
"position1": 22,
|
| 56 |
+
"atom1": "SG",
|
| 57 |
+
"entity2": 2,
|
| 58 |
+
"position2": 90,
|
| 59 |
+
"atom2": "SG"
|
| 60 |
+
},
|
| 61 |
+
{
|
| 62 |
+
"entity1": 3,
|
| 63 |
+
"position1": 22,
|
| 64 |
+
"atom1": "SG",
|
| 65 |
+
"entity2": 3,
|
| 66 |
+
"position2": 96,
|
| 67 |
+
"atom2": "SG"
|
| 68 |
+
}
|
| 69 |
+
],
|
| 70 |
+
"name": "8sgj_H_L_A"
|
| 71 |
+
}
|
| 72 |
+
]
|
protenix_json/8sr0_Y_Z_X.json
ADDED
|
@@ -0,0 +1,80 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
[
|
| 2 |
+
{
|
| 3 |
+
"sequences": [
|
| 4 |
+
{
|
| 5 |
+
"proteinChain": {
|
| 6 |
+
"sequence": "MWEAQFLGLLFLQPLWVAPVKPLQPGAEVPVVWAQEGAPAQLPCSPTIPLQDLSLLRRAGVTWQHQPDSGPPAAAPGHPLAPGPHPAAPSSWGPRPRRYTVLSVGPGGLRSGRLPLQPRVQLDERGRQRGDFSLWLRPARRADAGEYRAAVHLRDRALSCRLRLRLGQASMTASPPGSLRASDWVILNCSFSRPDRPASVHWFRNRGQGRVPVRESPHHHLAESFLFLPQVSPMDSGPWGCILTYRDGFNVSIMYNLTVLGLEPPTPLTVYAGAGSRVGLPCRLPAGVGTRSFLTAKWTPPGGGPDLLVTGDNGDFTLRLEDVSQAQAGTYTCHIHLQEQQLNATVTLAIITVTPKSFGSPGSLGKLLCEVTPVSGQERFVWSSLDTPSQRSFSGPWLEAQEAQLLSQPWQCQLYQGERLLGAAVYFTELSSPGAQRSGRAPGALPAGHLLLFLILGVLSLLLLVTGAFGFHLWRRQWRPRRFSALEQGIHPPQAQSKIEELEQEPEPEPEPEPEPEPEPEPEQL",
|
| 7 |
+
"count": 1,
|
| 8 |
+
"label_entity_id": "1",
|
| 9 |
+
"label_asym_id": [
|
| 10 |
+
"A"
|
| 11 |
+
],
|
| 12 |
+
"auth_asym_id": [
|
| 13 |
+
"X"
|
| 14 |
+
]
|
| 15 |
+
}
|
| 16 |
+
},
|
| 17 |
+
{
|
| 18 |
+
"proteinChain": {
|
| 19 |
+
"sequence": "MGWTWIFLFFLSGTAGVLSEVLLLQSGPELVKPGTSVKIPCKASGYTFTDYNVDWVKQRHGKGLEWIGDINPNNGGTIYSQKFKGKATLTVDKSSSTAFMELRSLTSEDTAVYFCARNYRWFGAMDHWGQGTSVTVSSTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTAGWSHPQFEK",
|
| 20 |
+
"count": 1,
|
| 21 |
+
"label_entity_id": "2",
|
| 22 |
+
"label_asym_id": [
|
| 23 |
+
"B"
|
| 24 |
+
],
|
| 25 |
+
"auth_asym_id": [
|
| 26 |
+
"Y"
|
| 27 |
+
]
|
| 28 |
+
}
|
| 29 |
+
},
|
| 30 |
+
{
|
| 31 |
+
"proteinChain": {
|
| 32 |
+
"sequence": "METDTILLWVLLLWVPGSTGDIVLTQSPASLAVSPGQRATISCKASQSLDYEGDSDMNWYQQKPGQPPRLLISGASNLESGIPARFSGSGSGTDFTVNIHPVEEEDAATYYCQQSTEDPRTFGGGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKYQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC",
|
| 33 |
+
"count": 1,
|
| 34 |
+
"label_entity_id": "3",
|
| 35 |
+
"label_asym_id": [
|
| 36 |
+
"C"
|
| 37 |
+
],
|
| 38 |
+
"auth_asym_id": [
|
| 39 |
+
"Z"
|
| 40 |
+
]
|
| 41 |
+
}
|
| 42 |
+
}
|
| 43 |
+
],
|
| 44 |
+
"covalent_bonds": [
|
| 45 |
+
{
|
| 46 |
+
"entity1": 1,
|
| 47 |
+
"position1": 44,
|
| 48 |
+
"atom1": "SG",
|
| 49 |
+
"entity2": 1,
|
| 50 |
+
"position2": 160,
|
| 51 |
+
"atom2": "SG"
|
| 52 |
+
},
|
| 53 |
+
{
|
| 54 |
+
"entity1": 1,
|
| 55 |
+
"position1": 189,
|
| 56 |
+
"atom1": "SG",
|
| 57 |
+
"entity2": 1,
|
| 58 |
+
"position2": 241,
|
| 59 |
+
"atom2": "SG"
|
| 60 |
+
},
|
| 61 |
+
{
|
| 62 |
+
"entity1": 2,
|
| 63 |
+
"position1": 41,
|
| 64 |
+
"atom1": "SG",
|
| 65 |
+
"entity2": 2,
|
| 66 |
+
"position2": 115,
|
| 67 |
+
"atom2": "SG"
|
| 68 |
+
},
|
| 69 |
+
{
|
| 70 |
+
"entity1": 3,
|
| 71 |
+
"position1": 43,
|
| 72 |
+
"atom1": "SG",
|
| 73 |
+
"entity2": 3,
|
| 74 |
+
"position2": 112,
|
| 75 |
+
"atom2": "SG"
|
| 76 |
+
}
|
| 77 |
+
],
|
| 78 |
+
"name": "8sr0_Y_Z_X"
|
| 79 |
+
}
|
| 80 |
+
]
|
protenix_json/8sxp_H_L_C.json
ADDED
|
@@ -0,0 +1,104 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
[
|
| 2 |
+
{
|
| 3 |
+
"sequences": [
|
| 4 |
+
{
|
| 5 |
+
"proteinChain": {
|
| 6 |
+
"sequence": "DIQMTQSPSSLSASVGDRVTITCRASQSISSYLNWYQQKPGKAPKLLIYDASSLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSYSTPYTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG",
|
| 7 |
+
"count": 1,
|
| 8 |
+
"label_entity_id": "1",
|
| 9 |
+
"label_asym_id": [
|
| 10 |
+
"A"
|
| 11 |
+
],
|
| 12 |
+
"auth_asym_id": [
|
| 13 |
+
"L"
|
| 14 |
+
]
|
| 15 |
+
}
|
| 16 |
+
},
|
| 17 |
+
{
|
| 18 |
+
"proteinChain": {
|
| 19 |
+
"sequence": "TKCYVTPDATSQTCPDGQDICYTKTWCDGFCSSRGKRIDLGCAATCPKVKPGVDIKCCSTDNCNPFPT",
|
| 20 |
+
"count": 1,
|
| 21 |
+
"label_entity_id": "2",
|
| 22 |
+
"label_asym_id": [
|
| 23 |
+
"B"
|
| 24 |
+
],
|
| 25 |
+
"auth_asym_id": [
|
| 26 |
+
"C"
|
| 27 |
+
]
|
| 28 |
+
}
|
| 29 |
+
},
|
| 30 |
+
{
|
| 31 |
+
"proteinChain": {
|
| 32 |
+
"sequence": "EVQLVQSGAEVKKPGSSVKVSCKASGGTFSSYAISWVRQAPGQGLEWMGGYIPIFGTANYAQKFQGRVTITADESTSTAYMELSSLRSEDTAVYYCARIPLRWYESGPYESGVFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPK",
|
| 33 |
+
"count": 1,
|
| 34 |
+
"label_entity_id": "3",
|
| 35 |
+
"label_asym_id": [
|
| 36 |
+
"C"
|
| 37 |
+
],
|
| 38 |
+
"auth_asym_id": [
|
| 39 |
+
"H"
|
| 40 |
+
]
|
| 41 |
+
}
|
| 42 |
+
}
|
| 43 |
+
],
|
| 44 |
+
"covalent_bonds": [
|
| 45 |
+
{
|
| 46 |
+
"entity1": 1,
|
| 47 |
+
"position1": 23,
|
| 48 |
+
"atom1": "SG",
|
| 49 |
+
"entity2": 1,
|
| 50 |
+
"position2": 88,
|
| 51 |
+
"atom2": "SG"
|
| 52 |
+
},
|
| 53 |
+
{
|
| 54 |
+
"entity1": 1,
|
| 55 |
+
"position1": 134,
|
| 56 |
+
"atom1": "SG",
|
| 57 |
+
"entity2": 1,
|
| 58 |
+
"position2": 194,
|
| 59 |
+
"atom2": "SG"
|
| 60 |
+
},
|
| 61 |
+
{
|
| 62 |
+
"entity1": 2,
|
| 63 |
+
"position1": 14,
|
| 64 |
+
"atom1": "SG",
|
| 65 |
+
"entity2": 2,
|
| 66 |
+
"position2": 42,
|
| 67 |
+
"atom2": "SG"
|
| 68 |
+
},
|
| 69 |
+
{
|
| 70 |
+
"entity1": 2,
|
| 71 |
+
"position1": 27,
|
| 72 |
+
"atom1": "SG",
|
| 73 |
+
"entity2": 2,
|
| 74 |
+
"position2": 31,
|
| 75 |
+
"atom2": "SG"
|
| 76 |
+
},
|
| 77 |
+
{
|
| 78 |
+
"entity1": 2,
|
| 79 |
+
"position1": 58,
|
| 80 |
+
"atom1": "SG",
|
| 81 |
+
"entity2": 2,
|
| 82 |
+
"position2": 63,
|
| 83 |
+
"atom2": "SG"
|
| 84 |
+
},
|
| 85 |
+
{
|
| 86 |
+
"entity1": 3,
|
| 87 |
+
"position1": 22,
|
| 88 |
+
"atom1": "SG",
|
| 89 |
+
"entity2": 3,
|
| 90 |
+
"position2": 96,
|
| 91 |
+
"atom2": "SG"
|
| 92 |
+
},
|
| 93 |
+
{
|
| 94 |
+
"entity1": 3,
|
| 95 |
+
"position1": 154,
|
| 96 |
+
"atom1": "SG",
|
| 97 |
+
"entity2": 3,
|
| 98 |
+
"position2": 210,
|
| 99 |
+
"atom2": "SG"
|
| 100 |
+
}
|
| 101 |
+
],
|
| 102 |
+
"name": "8sxp_H_L_C"
|
| 103 |
+
}
|
| 104 |
+
]
|
protenix_json/8t06_C_D_A.json
ADDED
|
@@ -0,0 +1,64 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
[
|
| 2 |
+
{
|
| 3 |
+
"sequences": [
|
| 4 |
+
{
|
| 5 |
+
"proteinChain": {
|
| 6 |
+
"sequence": "MGTVVAKLLLPTLSSLAFLPTVSIATKRRFYMEAMVYLFTMFFVAFSHACDGPGLSVLCFMRRDILEYFSIYGTALSMWVSLMALADFDEPQRSTFTMLGVLTIAVATFHDRWGYGVYSGPIGTATLIIAVKWLKKMKEKKGLYPDKSIYTQQIGPGLCFGALALMLRFFFEEWDYTYVHSFYHCALAMSFVLLLPKVNKKAGNAGAPAKLTFSTLCCTCV",
|
| 7 |
+
"count": 1,
|
| 8 |
+
"label_entity_id": "1",
|
| 9 |
+
"label_asym_id": [
|
| 10 |
+
"A"
|
| 11 |
+
],
|
| 12 |
+
"auth_asym_id": [
|
| 13 |
+
"A"
|
| 14 |
+
]
|
| 15 |
+
}
|
| 16 |
+
},
|
| 17 |
+
{
|
| 18 |
+
"proteinChain": {
|
| 19 |
+
"sequence": "QVTLKESGPGILQPSQTLSLTCSFSGFSLSTSGMGVSWIRKPSGKGLEWLAHIFWDDDKRYNPSLKSRLTISKDTSSNQVFLMITSIDTADTATYYCARRTWLLHAMDYWGQGTSVTVSS",
|
| 20 |
+
"count": 1,
|
| 21 |
+
"label_entity_id": "2",
|
| 22 |
+
"label_asym_id": [
|
| 23 |
+
"C"
|
| 24 |
+
],
|
| 25 |
+
"auth_asym_id": [
|
| 26 |
+
"C"
|
| 27 |
+
]
|
| 28 |
+
}
|
| 29 |
+
},
|
| 30 |
+
{
|
| 31 |
+
"proteinChain": {
|
| 32 |
+
"sequence": "DIQMTQSPSSLSASLGGKVTITCKASQDINEYIAWYQHKPGKGPRLLIHYTSTLQPGIPSRFSGSGSGRDYSFSISNLEPEDIATYYCLQYDNLLWTFGGGTKLEIK",
|
| 33 |
+
"count": 1,
|
| 34 |
+
"label_entity_id": "3",
|
| 35 |
+
"label_asym_id": [
|
| 36 |
+
"D"
|
| 37 |
+
],
|
| 38 |
+
"auth_asym_id": [
|
| 39 |
+
"D"
|
| 40 |
+
]
|
| 41 |
+
}
|
| 42 |
+
}
|
| 43 |
+
],
|
| 44 |
+
"covalent_bonds": [
|
| 45 |
+
{
|
| 46 |
+
"entity1": 1,
|
| 47 |
+
"position1": 50,
|
| 48 |
+
"atom1": "SG",
|
| 49 |
+
"entity2": 1,
|
| 50 |
+
"position2": 59,
|
| 51 |
+
"atom2": "SG"
|
| 52 |
+
},
|
| 53 |
+
{
|
| 54 |
+
"entity1": 2,
|
| 55 |
+
"position1": 22,
|
| 56 |
+
"atom1": "SG",
|
| 57 |
+
"entity2": 2,
|
| 58 |
+
"position2": 97,
|
| 59 |
+
"atom2": "SG"
|
| 60 |
+
}
|
| 61 |
+
],
|
| 62 |
+
"name": "8t06_C_D_A"
|
| 63 |
+
}
|
| 64 |
+
]
|
protenix_json/8t1g_G_I_CD.json
ADDED
|
@@ -0,0 +1,141 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
[
|
| 2 |
+
{
|
| 3 |
+
"sequences": [
|
| 4 |
+
{
|
| 5 |
+
"proteinChain": {
|
| 6 |
+
"sequence": "DKICLGHHAVSNGTKVNTLTERGVEVVNATETVERTNIPRICSKGKRTVDLGQCGLLGTITGPPQCDQFLEFSADLIIERREGSDVCYPGKFVNEEALRQILRESGGIDKEAMGFTYSGIRTNGATSACRRSGSSFYAEMKWLLSNTDNAAFPQMTKSYKNTRKSPALIVWGIHHSVSTAEQTKLYGSGNKLVTVGSSNYQQSFVPSPGARPQVNGLSGRIDFHWLMLNPNDTVTFSFNGAFIAPDRASFLRGKSMGIQSGVQVDANCEGDCYHSGGTIISNLPFQNIDSRAVGKCPRYVKQRSLLLATGMKNVPEIPKGR",
|
| 7 |
+
"count": 1,
|
| 8 |
+
"label_entity_id": "1",
|
| 9 |
+
"label_asym_id": [
|
| 10 |
+
"C"
|
| 11 |
+
],
|
| 12 |
+
"auth_asym_id": [
|
| 13 |
+
"C"
|
| 14 |
+
]
|
| 15 |
+
}
|
| 16 |
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},
|
| 17 |
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{
|
| 18 |
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"proteinChain": {
|
| 19 |
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"sequence": "GLFGAIAGFIENGWEGLIDGWYGFRHQNAQGEGTAADYKSTQSAIDQITGKLNRLIEKTNQQFELIDNEFNEVEKQIGNVINWTRDSITEVWSYNAELLVAMENQHTIDLADSEMDKLYERVKRQLRENAEEDGTGCFEIFHKCDDDCMASIRNNTYDHSKYREEAMQNRIQIDGSGYIPEAPRDGQAYVRKDGEWVLLSTFLSGRLVPR",
|
| 20 |
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|
| 21 |
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|
| 22 |
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| 23 |
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|
| 24 |
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| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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{
|
| 31 |
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|
| 32 |
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"sequence": "QVQLQESGPGLVKPSETLSLTCTVSGASVSSYFWSWIRQPAGKALEWIGRIYTSGNTKSNPSLESRVTMSLDASKDQFSLKLTSVTAADTAVYYCAAGRLDYSDTTGYYKPPPLDYWGQGALVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDK",
|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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"auth_asym_id": [
|
| 39 |
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"G"
|
| 40 |
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|
| 41 |
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|
| 42 |
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},
|
| 43 |
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{
|
| 44 |
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"proteinChain": {
|
| 45 |
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"sequence": "DVVMTQSPLSLPVTLGQPASISCRSSQGLAFLDGNTYLSWFQQRPGQSPRRLIYKVSNRDSGVPDRFSGSGSRTDFTLKISRVEAEDVGVYYCMQGTHWPLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLRSPVTKSFNRGEC",
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| 46 |
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| 48 |
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| 49 |
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| 50 |
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| 51 |
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| 52 |
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|
| 53 |
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| 54 |
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| 55 |
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| 56 |
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| 57 |
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| 58 |
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| 60 |
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| 61 |
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| 62 |
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|
| 63 |
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|
| 64 |
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|
| 65 |
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| 66 |
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|
| 67 |
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|
| 68 |
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|
| 69 |
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| 70 |
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| 71 |
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|
| 72 |
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|
| 73 |
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| 74 |
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|
| 75 |
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| 76 |
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|
| 77 |
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| 78 |
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| 79 |
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|
| 80 |
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|
| 81 |
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| 82 |
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| 83 |
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|
| 84 |
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|
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| 86 |
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| 87 |
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| 88 |
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|
| 89 |
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| 90 |
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|
| 91 |
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|
| 92 |
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|
| 93 |
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|
| 94 |
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|
| 95 |
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|
| 96 |
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|
| 97 |
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| 98 |
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|
| 99 |
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|
| 100 |
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|
| 101 |
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|
| 102 |
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|
| 103 |
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|
| 104 |
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|
| 105 |
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|
| 106 |
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|
| 107 |
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|
| 108 |
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|
| 109 |
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|
| 110 |
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|
| 111 |
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|
| 112 |
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|
| 113 |
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|
| 114 |
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{
|
| 115 |
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|
| 116 |
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|
| 117 |
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|
| 118 |
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|
| 119 |
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|
| 120 |
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|
| 121 |
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|
| 122 |
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{
|
| 123 |
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|
| 124 |
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|
| 125 |
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"atom1": "SG",
|
| 126 |
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|
| 127 |
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"position2": 93,
|
| 128 |
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|
| 129 |
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},
|
| 130 |
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{
|
| 131 |
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"entity1": 4,
|
| 132 |
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|
| 133 |
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|
| 134 |
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|
| 135 |
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"position2": 199,
|
| 136 |
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"atom2": "SG"
|
| 137 |
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}
|
| 138 |
+
],
|
| 139 |
+
"name": "8t1g_G_I_CD"
|
| 140 |
+
}
|
| 141 |
+
]
|
protenix_json/8t9b_C_G_L.json
ADDED
|
@@ -0,0 +1,80 @@
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
[
|
| 2 |
+
{
|
| 3 |
+
"sequences": [
|
| 4 |
+
{
|
| 5 |
+
"proteinChain": {
|
| 6 |
+
"sequence": "EVQLVESGGGLVQPGGSLRLSCAASGFDSGAYLRHWVRQAPGKGLEWVASIYPSYGYTSYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCARSAASYYGYWHWYHFSPGMDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHT",
|
| 7 |
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"count": 1,
|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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"auth_asym_id": [
|
| 13 |
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"C"
|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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{
|
| 18 |
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"proteinChain": {
|
| 19 |
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"sequence": "DIQMTQSPSSLSASVGDRVTITCRASQSVSSAVAWYQQKPGKAPKLLIYSASDLYSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCQQYVSGGWLITFGQGTKVEIKRTVAAPSVFIFPPSDSQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTQGTTSVTKSFNRGEC",
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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},
|
| 30 |
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{
|
| 31 |
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"proteinChain": {
|
| 32 |
+
"sequence": "QTEPPKVRLEGRSTTSLSVSWSIPPPQQSRVWKYEVTYRKKGDSNSYNVRRTEGFSVTLDDLAPDTTYLVQVQALTQEGQGAGSKVHEFQTLSPLTPR",
|
| 33 |
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|
| 34 |
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|
| 35 |
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| 36 |
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| 38 |
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| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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| 57 |
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|
| 58 |
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|
| 59 |
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|
| 60 |
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| 61 |
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| 62 |
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|
| 63 |
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|
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|
| 65 |
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|
| 66 |
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|
| 67 |
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|
| 68 |
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| 69 |
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{
|
| 70 |
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|
| 71 |
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|
| 72 |
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|
| 73 |
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|
| 74 |
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|
| 75 |
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|
| 76 |
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}
|
| 77 |
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],
|
| 78 |
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"name": "8t9b_C_G_L"
|
| 79 |
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}
|
| 80 |
+
]
|
protenix_json/8to9_D_F_A.json
ADDED
|
@@ -0,0 +1,136 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
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|
|
|
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|
|
|
|
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|
|
|
|
|
|
|
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|
|
|
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|
|
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|
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|
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|
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|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
[
|
| 2 |
+
{
|
| 3 |
+
"sequences": [
|
| 4 |
+
{
|
| 5 |
+
"proteinChain": {
|
| 6 |
+
"sequence": "NLWVTVYYGVPVWKEAKTTLFCASDAKAYEKEVHNVWATHACVPTDPNPQEMVLENVTENFNMWKNDMVDQMHEDIISLWDQSLKPCVKLTPLCVTLNCTNVNVTNTNNNNMKEEMKNCSFNTTTEIRDKKQKEYALFYRLDIVPLNENSSEYRLINCNTSTITQICPKVSFDPIPIHYCAPAGYAILKCNNKTFNGTGPCNNVSTVQCTHGIKPVVSTQLLLNGSLAEEEIIIRSENLTDNAKTIIVHLNESVEINCTRPNNMTRKSIRIGPGQTFYALGDIIGDIRQPHCNISEAKWNKTLQRVKKKLKEHFPNKTIKFAPSSGGDLEITTHSFNCRGEFFYCNTSKLFNSTYNNTTSNSTITLPCRIKQIINMWQEVGRAMYAPPIAGNITCKSNITGLLLTRDGGNNNNNTETFRPGGGDMRDNWRSELYKYKVVEIKPLGIAPTKCKRRVVERRRRRR",
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| 7 |
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|
| 9 |
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| 10 |
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|
| 11 |
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| 12 |
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| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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{
|
| 18 |
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|
| 19 |
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| 20 |
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| 25 |
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| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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{
|
| 31 |
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|
| 32 |
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| 35 |
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| 38 |
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| 40 |
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|
| 41 |
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| 42 |
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|
| 43 |
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| 44 |
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{
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| 70 |
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| 73 |
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{
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| 81 |
+
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|
| 82 |
+
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|
| 83 |
+
"atom2": "SG"
|
| 84 |
+
},
|
| 85 |
+
{
|
| 86 |
+
"entity1": 1,
|
| 87 |
+
"position1": 190,
|
| 88 |
+
"atom1": "SG",
|
| 89 |
+
"entity2": 1,
|
| 90 |
+
"position2": 201,
|
| 91 |
+
"atom2": "SG"
|
| 92 |
+
},
|
| 93 |
+
{
|
| 94 |
+
"entity1": 1,
|
| 95 |
+
"position1": 258,
|
| 96 |
+
"atom1": "SG",
|
| 97 |
+
"entity2": 1,
|
| 98 |
+
"position2": 292,
|
| 99 |
+
"atom2": "SG"
|
| 100 |
+
},
|
| 101 |
+
{
|
| 102 |
+
"entity1": 1,
|
| 103 |
+
"position1": 338,
|
| 104 |
+
"atom1": "SG",
|
| 105 |
+
"entity2": 1,
|
| 106 |
+
"position2": 395,
|
| 107 |
+
"atom2": "SG"
|
| 108 |
+
},
|
| 109 |
+
{
|
| 110 |
+
"entity1": 1,
|
| 111 |
+
"position1": 345,
|
| 112 |
+
"atom1": "SG",
|
| 113 |
+
"entity2": 1,
|
| 114 |
+
"position2": 368,
|
| 115 |
+
"atom2": "SG"
|
| 116 |
+
},
|
| 117 |
+
{
|
| 118 |
+
"entity1": 2,
|
| 119 |
+
"position1": 22,
|
| 120 |
+
"atom1": "SG",
|
| 121 |
+
"entity2": 2,
|
| 122 |
+
"position2": 98,
|
| 123 |
+
"atom2": "SG"
|
| 124 |
+
},
|
| 125 |
+
{
|
| 126 |
+
"entity1": 3,
|
| 127 |
+
"position1": 23,
|
| 128 |
+
"atom1": "SG",
|
| 129 |
+
"entity2": 3,
|
| 130 |
+
"position2": 88,
|
| 131 |
+
"atom2": "SG"
|
| 132 |
+
}
|
| 133 |
+
],
|
| 134 |
+
"name": "8to9_D_F_A"
|
| 135 |
+
}
|
| 136 |
+
]
|
protenix_json/8tvj_H_L_E.json
ADDED
|
@@ -0,0 +1,80 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
[
|
| 2 |
+
{
|
| 3 |
+
"sequences": [
|
| 4 |
+
{
|
| 5 |
+
"proteinChain": {
|
| 6 |
+
"sequence": "EVQLVQSGAEVKMPGESLKISCEVSGYSFTSYWIGWVRQMPGKGLEWMGIIYPGDSDTRYSPSFQGQVTISADKSISTAYLQWSSLKASDTAMYYCTRSISRSGPGFSLSWFFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPK",
|
| 7 |
+
"count": 1,
|
| 8 |
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"label_entity_id": "1",
|
| 9 |
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|
| 10 |
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|
| 11 |
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],
|
| 12 |
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"auth_asym_id": [
|
| 13 |
+
"H"
|
| 14 |
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]
|
| 15 |
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}
|
| 16 |
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},
|
| 17 |
+
{
|
| 18 |
+
"proteinChain": {
|
| 19 |
+
"sequence": "AIQLTQSPSSLSASVGDRVTITCRASQGISNALAWYQQKPGKAPKLLIYDASSLERGVPSRFSGSGFGTDFTLTISSLQPEDFAIYYCQQFNGFPNTFGQGTRVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE",
|
| 20 |
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"count": 1,
|
| 21 |
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"label_entity_id": "2",
|
| 22 |
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"label_asym_id": [
|
| 23 |
+
"B"
|
| 24 |
+
],
|
| 25 |
+
"auth_asym_id": [
|
| 26 |
+
"L"
|
| 27 |
+
]
|
| 28 |
+
}
|
| 29 |
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},
|
| 30 |
+
{
|
| 31 |
+
"proteinChain": {
|
| 32 |
+
"sequence": "EKNSVSVDLPGEMKVLVSKEKNKDGKYDLIATVDKLELKGTSDKNNGSGVLEGVKADKSKVKLTISDDLGQTTLEVFKEDGKTLVSKKVTSKDKSSTEEKFNEKGEVSEKIITRADGTRLEYTGIKSDGSGKAKEVLKGYVLEGTLTAEKTTLVVKEGTVTLSKNISKSGEVSVELNDTDSSAATKKTAAWNSGTSTLTITVNSKKTKDLVFTKENTITVQQYDSNGTKLEGSAVEITKLDEIKNALK",
|
| 33 |
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"count": 1,
|
| 34 |
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"label_entity_id": "3",
|
| 35 |
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"label_asym_id": [
|
| 36 |
+
"C"
|
| 37 |
+
],
|
| 38 |
+
"auth_asym_id": [
|
| 39 |
+
"E"
|
| 40 |
+
]
|
| 41 |
+
}
|
| 42 |
+
}
|
| 43 |
+
],
|
| 44 |
+
"covalent_bonds": [
|
| 45 |
+
{
|
| 46 |
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|
| 47 |
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"position1": 22,
|
| 48 |
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"atom1": "SG",
|
| 49 |
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"entity2": 1,
|
| 50 |
+
"position2": 96,
|
| 51 |
+
"atom2": "SG"
|
| 52 |
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},
|
| 53 |
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{
|
| 54 |
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"entity1": 1,
|
| 55 |
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|
| 56 |
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"atom1": "SG",
|
| 57 |
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"entity2": 1,
|
| 58 |
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"position2": 209,
|
| 59 |
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"atom2": "SG"
|
| 60 |
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},
|
| 61 |
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{
|
| 62 |
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"entity1": 2,
|
| 63 |
+
"position1": 23,
|
| 64 |
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"atom1": "SG",
|
| 65 |
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"entity2": 2,
|
| 66 |
+
"position2": 88,
|
| 67 |
+
"atom2": "SG"
|
| 68 |
+
},
|
| 69 |
+
{
|
| 70 |
+
"entity1": 2,
|
| 71 |
+
"position1": 134,
|
| 72 |
+
"atom1": "SG",
|
| 73 |
+
"entity2": 2,
|
| 74 |
+
"position2": 194,
|
| 75 |
+
"atom2": "SG"
|
| 76 |
+
}
|
| 77 |
+
],
|
| 78 |
+
"name": "8tvj_H_L_E"
|
| 79 |
+
}
|
| 80 |
+
]
|
protenix_json/8txm_H_L_AB.json
ADDED
|
@@ -0,0 +1,133 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
[
|
| 2 |
+
{
|
| 3 |
+
"sequences": [
|
| 4 |
+
{
|
| 5 |
+
"proteinChain": {
|
| 6 |
+
"sequence": "ADPGDTLCIGYHANNSTDTVDTVLEKNVTVTHSVNLLEDKHNGKLCKLRGVAPLHLGKCNIAGWILGNPECESLSTASSWSYIVETPSSDNGTCYPGDFIDYEELREQLSSVSSFERFEIFPKTSSWPNHDSNKGVTAACPHAGAKSFYKNLIWLVKKGNSYPKLSKSYINDKGKEVLVLWGIHHPSTSADQQSLYQNADTYVFVGSSRYSKKFKPEIAIRPKVRDQEGRMNYYWTLVEPGDKITFEATGNLVVPRYAFAMERNAGSGIIISDTPVHDCNTTCQTPKGAINTSLPFQNIHPITIGKCPKYVKSTKLRLATGLRNIPSI",
|
| 7 |
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"count": 1,
|
| 8 |
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|
| 9 |
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"label_asym_id": [
|
| 10 |
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|
| 11 |
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],
|
| 12 |
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"auth_asym_id": [
|
| 13 |
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"A"
|
| 14 |
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]
|
| 15 |
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}
|
| 16 |
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},
|
| 17 |
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{
|
| 18 |
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"proteinChain": {
|
| 19 |
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"sequence": "GLFGAIAGFIEGGWTGMVDGWYGYHHQNEQGSGYAADLKSTQNAIDGITNKVNSVIEKMNTQFTAVGKEFNHLEKRIENLNKKVDDGFLDIWTYNAELLVLLENERTLDYHDSNVKNLYEKVRSQLKNNAKEIGNGCFEFYHKCDNTCMESVKNGTYDYPKYSEEAKLNREEI",
|
| 20 |
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"count": 1,
|
| 21 |
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"label_entity_id": "2",
|
| 22 |
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|
| 23 |
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"B"
|
| 24 |
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],
|
| 25 |
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"auth_asym_id": [
|
| 26 |
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"B"
|
| 27 |
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]
|
| 28 |
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}
|
| 29 |
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},
|
| 30 |
+
{
|
| 31 |
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"proteinChain": {
|
| 32 |
+
"sequence": "SQVQLVQSGTEVKKPGSSVKVSCKASGVTFSSYAMSWVRQAPGQGLEWMGGFIPILGTANYAQKFQGRLTITADGLTGTVYMELSRLRSEDTAVYYCAREVTWKGASIGVLGIWGQGTMVSVSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC",
|
| 33 |
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"count": 1,
|
| 34 |
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"label_entity_id": "3",
|
| 35 |
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"label_asym_id": [
|
| 36 |
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|
| 37 |
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],
|
| 38 |
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|
| 39 |
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"H"
|
| 40 |
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|
| 41 |
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}
|
| 42 |
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},
|
| 43 |
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{
|
| 44 |
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"proteinChain": {
|
| 45 |
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"sequence": "DDIQMTQSPSSLSASVGDRVIITCRANQSIGGYLNWYQQKPGKAPNLLIFTASTLQSGVPSRFSGGGSGTDFTLTISSLQPEDFATYYCQQNYNTPRTFGQGTKVDIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE",
|
| 46 |
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"count": 1,
|
| 47 |
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|
| 48 |
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|
| 49 |
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"D"
|
| 50 |
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],
|
| 51 |
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|
| 52 |
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"L"
|
| 53 |
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]
|
| 54 |
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}
|
| 55 |
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}
|
| 56 |
+
],
|
| 57 |
+
"covalent_bonds": [
|
| 58 |
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{
|
| 59 |
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|
| 60 |
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|
| 61 |
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"atom1": "SG",
|
| 62 |
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|
| 63 |
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"position2": 279,
|
| 64 |
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"atom2": "SG"
|
| 65 |
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},
|
| 66 |
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{
|
| 67 |
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|
| 68 |
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|
| 69 |
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|
| 70 |
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|
| 71 |
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|
| 72 |
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|
| 73 |
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},
|
| 74 |
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{
|
| 75 |
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"entity1": 1,
|
| 76 |
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|
| 77 |
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|
| 78 |
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|
| 79 |
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|
| 80 |
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|
| 81 |
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},
|
| 82 |
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{
|
| 83 |
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"entity1": 1,
|
| 84 |
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|
| 85 |
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|
| 86 |
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|
| 87 |
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|
| 88 |
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|
| 89 |
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},
|
| 90 |
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{
|
| 91 |
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|
| 92 |
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|
| 93 |
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|
| 94 |
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|
| 95 |
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"position2": 148,
|
| 96 |
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"atom2": "SG"
|
| 97 |
+
},
|
| 98 |
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{
|
| 99 |
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|
| 100 |
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|
| 101 |
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|
| 102 |
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|
| 103 |
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"position2": 97,
|
| 104 |
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"atom2": "SG"
|
| 105 |
+
},
|
| 106 |
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{
|
| 107 |
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"entity1": 3,
|
| 108 |
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"position1": 150,
|
| 109 |
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"atom1": "SG",
|
| 110 |
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"entity2": 3,
|
| 111 |
+
"position2": 206,
|
| 112 |
+
"atom2": "SG"
|
| 113 |
+
},
|
| 114 |
+
{
|
| 115 |
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"entity1": 4,
|
| 116 |
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"position1": 24,
|
| 117 |
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"atom1": "SG",
|
| 118 |
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"entity2": 4,
|
| 119 |
+
"position2": 89,
|
| 120 |
+
"atom2": "SG"
|
| 121 |
+
},
|
| 122 |
+
{
|
| 123 |
+
"entity1": 4,
|
| 124 |
+
"position1": 135,
|
| 125 |
+
"atom1": "SG",
|
| 126 |
+
"entity2": 4,
|
| 127 |
+
"position2": 195,
|
| 128 |
+
"atom2": "SG"
|
| 129 |
+
}
|
| 130 |
+
],
|
| 131 |
+
"name": "8txm_H_L_AB"
|
| 132 |
+
}
|
| 133 |
+
]
|
protenix_json/8txt_H_L_EF.json
ADDED
|
@@ -0,0 +1,141 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
[
|
| 2 |
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{
|
| 3 |
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"sequences": [
|
| 4 |
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{
|
| 5 |
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"proteinChain": {
|
| 6 |
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"sequence": "ADPGDQICIGYHANNSTEQVDTIMEKNVTVTHAQDILEKKHNGKLCDLDGVKPLILRDCSVAGWLLGNPMCDEFINVPEWSYIVEKANPVNDLCYPGDFNDYEELKHLLSRINHFEKIQIIPKSSWSSHEASLGVSSACPYQGKSSFFRNVVWLIKKNSTYPTIKRSYNNTNQEDLLVLWGIHHPNDAAEQTKLYQNPTTYISVGTSTLNQRLVPRIATRSKVNGQSGRMEFFWTILKPNDAINFESNGNFIAPEYAYKIVKKGDSTIMKSELEYGNCNTKCQTPMGAINSSMPFHNIHPLTIGECPKYVKSNRLVLATGLRNSPQRERRRKKR",
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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"E"
|
| 14 |
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|
| 15 |
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|
| 16 |
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},
|
| 17 |
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{
|
| 18 |
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"proteinChain": {
|
| 19 |
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"sequence": "GLFGAIAGFIEGGWQGMVDGWYGYHHSNEQGSGYAADKESTQKAIDGVTNKVNSIIDKMNTQFEAVGREFNNLERRIENLNKKMEDGFLDVWTYNAELLVLMENERTLDFHDSNVKNLYDKVRLQLRDNAKELGNGCFEFYHKCDNECMESVRNGTYDYPQYSEEARLKREEISSGR",
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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{
|
| 31 |
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"proteinChain": {
|
| 32 |
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"sequence": "QVQLVQSGTEVKKPGSSVKVSCKASGVTFSSYAMSWVRQAPGQGLEWMGGFIPILGTANYAQKFQGRLTITADGLTGTVYMELSRLRSEDTAVYYCAREVTWKGASIGVLGIWGQGTMVSVSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC",
|
| 33 |
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"count": 1,
|
| 34 |
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"label_entity_id": "3",
|
| 35 |
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"label_asym_id": [
|
| 36 |
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"G"
|
| 37 |
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],
|
| 38 |
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"auth_asym_id": [
|
| 39 |
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"H"
|
| 40 |
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|
| 41 |
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|
| 42 |
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},
|
| 43 |
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{
|
| 44 |
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"proteinChain": {
|
| 45 |
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"sequence": "DIQMTQSPSSLSASVGDRVIITCRANQSIGGYLNWYQQKPGKAPNLLIFTASTLQSGVPSRFSGGGSGTDFTLTISSLQPEDFATYYCQQNYNTPRTFGQGTKVDIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC",
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| 46 |
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| 47 |
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| 48 |
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| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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],
|
| 57 |
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"covalent_bonds": [
|
| 58 |
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{
|
| 59 |
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|
| 60 |
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|
| 61 |
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|
| 62 |
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|
| 63 |
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|
| 64 |
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|
| 65 |
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|
| 66 |
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{
|
| 67 |
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|
| 68 |
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|
| 69 |
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|
| 70 |
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|
| 71 |
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|
| 72 |
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|
| 73 |
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|
| 74 |
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{
|
| 75 |
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|
| 76 |
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|
| 77 |
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|
| 78 |
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|
| 79 |
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|
| 80 |
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|
| 81 |
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| 82 |
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{
|
| 83 |
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|
| 84 |
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|
| 85 |
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|
| 86 |
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|
| 87 |
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|
| 88 |
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"atom2": "SG"
|
| 89 |
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|
| 90 |
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{
|
| 91 |
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"entity1": 1,
|
| 92 |
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|
| 93 |
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|
| 94 |
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|
| 95 |
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|
| 96 |
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|
| 97 |
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|
| 98 |
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{
|
| 99 |
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|
| 100 |
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|
| 101 |
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|
| 102 |
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|
| 103 |
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|
| 104 |
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|
| 105 |
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|
| 106 |
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{
|
| 107 |
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|
| 108 |
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|
| 109 |
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|
| 110 |
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|
| 111 |
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|
| 112 |
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|
| 113 |
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|
| 114 |
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{
|
| 115 |
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|
| 116 |
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|
| 117 |
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|
| 118 |
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|
| 119 |
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|
| 120 |
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"atom2": "SG"
|
| 121 |
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|
| 122 |
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{
|
| 123 |
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|
| 124 |
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|
| 125 |
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|
| 126 |
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|
| 127 |
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|
| 128 |
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"atom2": "SG"
|
| 129 |
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|
| 130 |
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{
|
| 131 |
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"entity1": 4,
|
| 132 |
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|
| 133 |
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"atom1": "SG",
|
| 134 |
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"entity2": 4,
|
| 135 |
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|
| 136 |
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"atom2": "SG"
|
| 137 |
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}
|
| 138 |
+
],
|
| 139 |
+
"name": "8txt_H_L_EF"
|
| 140 |
+
}
|
| 141 |
+
]
|
protenix_json/8ty7_H_L_AB.json
ADDED
|
@@ -0,0 +1,125 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
[
|
| 2 |
+
{
|
| 3 |
+
"sequences": [
|
| 4 |
+
{
|
| 5 |
+
"proteinChain": {
|
| 6 |
+
"sequence": "ADPGDTLCIGYHANNSTDTVDTVLEKNVTVTHSVNLLEDKHNGKLCKLRGVAPLHLGKCNIAGWILGNPECESLSTASSWSYIVETPSSDNGTCYPGDFIDYEELREQLSSVSSFERFEIFPKTSSWPNHDSNKGVTAACPHAGAKSFYKNLIWLVKKGNSYPKLSKSYINDKGKEVLVLWGIHHPSTSADQQSLYQNADTYVFVGSSRYSKKFKPEIAIRPKVRDQEGRMNYYWTLVEPGDKITFEATGNLVVPRYAFAMERNAGSGIIISDTPVHDCNTTCQTPKGAINTSLPFQNIHPITIGKCPKYVKSTKLRLATGLRNIPSIASR",
|
| 7 |
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"count": 1,
|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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},
|
| 17 |
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{
|
| 18 |
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"proteinChain": {
|
| 19 |
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"sequence": "GLFGAIAGFIEGGWTGMVDGWYGYHHQNEQGSGYAADLKSTQNAIDGITNKVNSVIEKMNTQFTAVGKEFNHLEKRIENLNKKVDDGFLDIWTYNAELLVLLENERTLDYHDSNVKNLYEKVRSQLKNNAKEIGNGCFEFYHKCDNTCMESVKNGTYDYPKYSEEAKLNREEIDSGR",
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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"auth_asym_id": [
|
| 26 |
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"B"
|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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{
|
| 31 |
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"proteinChain": {
|
| 32 |
+
"sequence": "DEVQLVQSGAEVKKPGSSVRVSCKASGGTFSAISWVRQAPGQGLEWMGGIIPVFGTANYAQKFQGRVTITADDSTSTAYMEVSSLRSDDTAVYYCAREETWKGATIGVMGIWGQGTMVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSC",
|
| 33 |
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|
| 34 |
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|
| 35 |
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| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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{
|
| 44 |
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|
| 45 |
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"sequence": "DIQMTQSPSSLSASVGDRVTITCRASQSISSYLNWYQHKPGKAPKLLIFTASNLQSGVPSRFSGGGSGTDFTLTISSLQPEDFATYYCQQSYTSPRTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC",
|
| 46 |
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"count": 1,
|
| 47 |
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"label_entity_id": "4",
|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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}
|
| 55 |
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}
|
| 56 |
+
],
|
| 57 |
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"covalent_bonds": [
|
| 58 |
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{
|
| 59 |
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|
| 60 |
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|
| 61 |
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|
| 62 |
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|
| 63 |
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|
| 64 |
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|
| 65 |
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|
| 66 |
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{
|
| 67 |
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"entity1": 1,
|
| 68 |
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|
| 69 |
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|
| 70 |
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|
| 71 |
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|
| 72 |
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|
| 73 |
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|
| 74 |
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{
|
| 75 |
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"entity1": 1,
|
| 76 |
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|
| 77 |
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|
| 78 |
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|
| 79 |
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|
| 80 |
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|
| 81 |
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|
| 82 |
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{
|
| 83 |
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|
| 84 |
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|
| 85 |
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|
| 86 |
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|
| 87 |
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|
| 88 |
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|
| 89 |
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|
| 90 |
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{
|
| 91 |
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|
| 92 |
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|
| 93 |
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|
| 94 |
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|
| 95 |
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|
| 96 |
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|
| 97 |
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|
| 98 |
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{
|
| 99 |
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|
| 100 |
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|
| 101 |
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|
| 102 |
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|
| 103 |
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|
| 104 |
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|
| 105 |
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},
|
| 106 |
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{
|
| 107 |
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|
| 108 |
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|
| 109 |
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"atom1": "SG",
|
| 110 |
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|
| 111 |
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|
| 112 |
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"atom2": "SG"
|
| 113 |
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},
|
| 114 |
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{
|
| 115 |
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"entity1": 4,
|
| 116 |
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"position1": 134,
|
| 117 |
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"atom1": "SG",
|
| 118 |
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"entity2": 4,
|
| 119 |
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"position2": 194,
|
| 120 |
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"atom2": "SG"
|
| 121 |
+
}
|
| 122 |
+
],
|
| 123 |
+
"name": "8ty7_H_L_AB"
|
| 124 |
+
}
|
| 125 |
+
]
|
protenix_json/8tzu_D__B.json
ADDED
|
@@ -0,0 +1,125 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
| 1 |
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| 2 |
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| 124 |
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| 125 |
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|
protenix_json/8u1q_H_L_A.json
ADDED
|
@@ -0,0 +1,120 @@
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|
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|
|
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|
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|
|
|
|
|
|
|
| 1 |
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[
|
| 2 |
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| 3 |
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|
| 4 |
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| 5 |
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|
| 6 |
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| 118 |
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|
| 119 |
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|
| 120 |
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|
protenix_json/8u32_C_B_A.json
ADDED
|
@@ -0,0 +1,88 @@
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|
|
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|
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|
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|
|
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|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
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|
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|
|
|
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|
|
|
|
|
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|
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|
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|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
[
|
| 2 |
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{
|
| 3 |
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|
| 4 |
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{
|
| 5 |
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|
| 6 |
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| 7 |
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| 10 |
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| 12 |
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| 16 |
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| 17 |
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| 18 |
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|
| 19 |
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"sequence": "AAQLTQSPSSLSASVGDRVTITCQSSQSVYNNNDLAWYQQKPGKPPKLLIYTPSSLTSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCLGGYDDDSDNAFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC",
|
| 20 |
+
"count": 1,
|
| 21 |
+
"label_entity_id": "2",
|
| 22 |
+
"label_asym_id": [
|
| 23 |
+
"B"
|
| 24 |
+
],
|
| 25 |
+
"auth_asym_id": [
|
| 26 |
+
"B"
|
| 27 |
+
]
|
| 28 |
+
}
|
| 29 |
+
},
|
| 30 |
+
{
|
| 31 |
+
"proteinChain": {
|
| 32 |
+
"sequence": "EQQLVESGGGVVQPGRSLRLSCAASGFSFSSTYWLSWVRQAPGKGLEWIAAIYVGSSGNTYYANWAKGRFTISKDSSSTTVFLQMNSLRAEDTAVYFCARAGGAGGGVYTLTRLDLWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKS",
|
| 33 |
+
"count": 1,
|
| 34 |
+
"label_entity_id": "3",
|
| 35 |
+
"label_asym_id": [
|
| 36 |
+
"C"
|
| 37 |
+
],
|
| 38 |
+
"auth_asym_id": [
|
| 39 |
+
"C"
|
| 40 |
+
]
|
| 41 |
+
}
|
| 42 |
+
}
|
| 43 |
+
],
|
| 44 |
+
"covalent_bonds": [
|
| 45 |
+
{
|
| 46 |
+
"entity1": 1,
|
| 47 |
+
"position1": 45,
|
| 48 |
+
"atom1": "SG",
|
| 49 |
+
"entity2": 1,
|
| 50 |
+
"position2": 114,
|
| 51 |
+
"atom2": "SG"
|
| 52 |
+
},
|
| 53 |
+
{
|
| 54 |
+
"entity1": 2,
|
| 55 |
+
"position1": 23,
|
| 56 |
+
"atom1": "SG",
|
| 57 |
+
"entity2": 2,
|
| 58 |
+
"position2": 90,
|
| 59 |
+
"atom2": "SG"
|
| 60 |
+
},
|
| 61 |
+
{
|
| 62 |
+
"entity1": 2,
|
| 63 |
+
"position1": 138,
|
| 64 |
+
"atom1": "SG",
|
| 65 |
+
"entity2": 2,
|
| 66 |
+
"position2": 198,
|
| 67 |
+
"atom2": "SG"
|
| 68 |
+
},
|
| 69 |
+
{
|
| 70 |
+
"entity1": 3,
|
| 71 |
+
"position1": 22,
|
| 72 |
+
"atom1": "SG",
|
| 73 |
+
"entity2": 3,
|
| 74 |
+
"position2": 98,
|
| 75 |
+
"atom2": "SG"
|
| 76 |
+
},
|
| 77 |
+
{
|
| 78 |
+
"entity1": 3,
|
| 79 |
+
"position1": 154,
|
| 80 |
+
"atom1": "SG",
|
| 81 |
+
"entity2": 3,
|
| 82 |
+
"position2": 210,
|
| 83 |
+
"atom2": "SG"
|
| 84 |
+
}
|
| 85 |
+
],
|
| 86 |
+
"name": "8u32_C_B_A"
|
| 87 |
+
}
|
| 88 |
+
]
|
protenix_json/8vun_G_I_C.json
ADDED
|
@@ -0,0 +1,128 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
[
|
| 2 |
+
{
|
| 3 |
+
"sequences": [
|
| 4 |
+
{
|
| 5 |
+
"proteinChain": {
|
| 6 |
+
"sequence": "KIVNIGAVLSTRKHEQMFREAVNQANKRHGSWKIQLNATSVTHKPNAIQMALSVCEDLISSQVYAILVSHPPTPNDHFTPTPVSYTAGFYRIPVLGLTTRMSIYSDKSIHLSFLRTVPPYSHQSSVWFEMMRVYSWNHIILLVSDDHEGRAAQKRLETLLEERESKAEKVLQFDPGTKNVTALLMEAKELEARVIILSASEDDAATVYRAAAMLNMTGSGYVWLVGEREISGNALRYAPDGILGLQLINGKNESAHISDAVGVVAQAVHELLEKENITDPPRGCVGNTNIWKTGPLFKRVLMSSKYADGVTGRVEFNEDGDRKFANYSIMNLQNRKLVQVGIYNGTHVIPNDRKIIWPGGETEKPRGYQMSTRLKIVTIHQEPFVYVKPTLSDGTCKEEFTVNGDPVKKVICTGPNDTSPGSPRHTVPQCCYGFCIDLLIKLARTMNFTYEVHLVADGKFGTQERVNNSNKKEWNGMMGELLSGQADMIVAPLTINNERAQYIEFSKPFKYQGLTILVKKEIPRSTLDSFMQPFQSTLWLLVGLSVHVVAVMLYLLDRFSPFGRFKVNSEEEEEDALTLSSAMWFSWGVLLNSGIGEGAPRSFSARILGMVWAGFAMIIVASYTANLAAFLVLDRPEERITGINDPRLRNPSDKFIYATVKQSSVDIYFRRQVELSTMYRHMEKHNYESAAEAIQAVRDNKLHAFIWDSAVLEFEASQKCDLVTTGELFFRSGFGIGMRKDSPWKQNVSLSILKSHENGFMEDLDKTWVRYQECDSRSNAPATLTFENMAGVFMLVAGGIVAGIFLIFIEIAYKRHK",
|
| 7 |
+
"count": 1,
|
| 8 |
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"label_entity_id": "1",
|
| 9 |
+
"label_asym_id": [
|
| 10 |
+
"C"
|
| 11 |
+
],
|
| 12 |
+
"auth_asym_id": [
|
| 13 |
+
"C"
|
| 14 |
+
]
|
| 15 |
+
}
|
| 16 |
+
},
|
| 17 |
+
{
|
| 18 |
+
"proteinChain": {
|
| 19 |
+
"sequence": "EVQLVESGGGLVQPGRSLRLSCAASGFTFDDYAMHWVRQVPGKGLEWVSGISWSSGSIGYADSVKGRFTISRDNAKNSLYLQMNSLRAEDTALYYCAKDRASSWYAYGMDVWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKV",
|
| 20 |
+
"count": 1,
|
| 21 |
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"label_entity_id": "3",
|
| 22 |
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"label_asym_id": [
|
| 23 |
+
"E"
|
| 24 |
+
],
|
| 25 |
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"auth_asym_id": [
|
| 26 |
+
"G"
|
| 27 |
+
]
|
| 28 |
+
}
|
| 29 |
+
},
|
| 30 |
+
{
|
| 31 |
+
"proteinChain": {
|
| 32 |
+
"sequence": "NFMLTQPHSVSESPGKTVTISCTRSSGSIASNYVQWYQQRPGSSPTTVIYDDNQRPSGVPNRFSGSIDSSSNSASLIISGLKTEDEADYYCQSTRVFGGGTKLTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPT",
|
| 33 |
+
"count": 1,
|
| 34 |
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"label_entity_id": "4",
|
| 35 |
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"label_asym_id": [
|
| 36 |
+
"F"
|
| 37 |
+
],
|
| 38 |
+
"auth_asym_id": [
|
| 39 |
+
"I"
|
| 40 |
+
]
|
| 41 |
+
}
|
| 42 |
+
}
|
| 43 |
+
],
|
| 44 |
+
"covalent_bonds": [
|
| 45 |
+
{
|
| 46 |
+
"entity1": 1,
|
| 47 |
+
"position1": 558,
|
| 48 |
+
"atom1": "C",
|
| 49 |
+
"entity2": 1,
|
| 50 |
+
"position2": 578,
|
| 51 |
+
"atom2": "N"
|
| 52 |
+
},
|
| 53 |
+
{
|
| 54 |
+
"entity1": 1,
|
| 55 |
+
"position1": 774,
|
| 56 |
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"atom1": "C",
|
| 57 |
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"entity2": 1,
|
| 58 |
+
"position2": 784,
|
| 59 |
+
"atom2": "N"
|
| 60 |
+
},
|
| 61 |
+
{
|
| 62 |
+
"entity1": 1,
|
| 63 |
+
"position1": 55,
|
| 64 |
+
"atom1": "SG",
|
| 65 |
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"entity2": 1,
|
| 66 |
+
"position2": 284,
|
| 67 |
+
"atom2": "SG"
|
| 68 |
+
},
|
| 69 |
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{
|
| 70 |
+
"entity1": 1,
|
| 71 |
+
"position1": 396,
|
| 72 |
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"atom1": "SG",
|
| 73 |
+
"entity2": 1,
|
| 74 |
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"position2": 430,
|
| 75 |
+
"atom2": "SG"
|
| 76 |
+
},
|
| 77 |
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{
|
| 78 |
+
"entity1": 1,
|
| 79 |
+
"position1": 412,
|
| 80 |
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"atom1": "SG",
|
| 81 |
+
"entity2": 1,
|
| 82 |
+
"position2": 431,
|
| 83 |
+
"atom2": "SG"
|
| 84 |
+
},
|
| 85 |
+
{
|
| 86 |
+
"entity1": 1,
|
| 87 |
+
"position1": 720,
|
| 88 |
+
"atom1": "SG",
|
| 89 |
+
"entity2": 1,
|
| 90 |
+
"position2": 774,
|
| 91 |
+
"atom2": "SG"
|
| 92 |
+
},
|
| 93 |
+
{
|
| 94 |
+
"entity1": 2,
|
| 95 |
+
"position1": 22,
|
| 96 |
+
"atom1": "SG",
|
| 97 |
+
"entity2": 2,
|
| 98 |
+
"position2": 96,
|
| 99 |
+
"atom2": "SG"
|
| 100 |
+
},
|
| 101 |
+
{
|
| 102 |
+
"entity1": 2,
|
| 103 |
+
"position1": 149,
|
| 104 |
+
"atom1": "SG",
|
| 105 |
+
"entity2": 2,
|
| 106 |
+
"position2": 205,
|
| 107 |
+
"atom2": "SG"
|
| 108 |
+
},
|
| 109 |
+
{
|
| 110 |
+
"entity1": 3,
|
| 111 |
+
"position1": 22,
|
| 112 |
+
"atom1": "SG",
|
| 113 |
+
"entity2": 3,
|
| 114 |
+
"position2": 91,
|
| 115 |
+
"atom2": "SG"
|
| 116 |
+
},
|
| 117 |
+
{
|
| 118 |
+
"entity1": 3,
|
| 119 |
+
"position1": 134,
|
| 120 |
+
"atom1": "SG",
|
| 121 |
+
"entity2": 3,
|
| 122 |
+
"position2": 193,
|
| 123 |
+
"atom2": "SG"
|
| 124 |
+
}
|
| 125 |
+
],
|
| 126 |
+
"name": "8vun_G_I_C"
|
| 127 |
+
}
|
| 128 |
+
]
|
protenix_json/8w86_A_B_CD.json
ADDED
|
@@ -0,0 +1,121 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
[
|
| 2 |
+
{
|
| 3 |
+
"sequences": [
|
| 4 |
+
{
|
| 5 |
+
"proteinChain": {
|
| 6 |
+
"sequence": "QVQLVESGGGVVQPGRSLRLSCAASGFTFSEWYFMSWVRQAPGKGLEWVASIDTGSGSIDYAGWVEGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARDIGIDYNFWGEGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVEDYFPEPVTVSWNSGALTSGVHTFPAVLESSGLYSLSSVVTVPSSSLGTKTYICNVNHKPSNTKVDKRVEPKSCDK",
|
| 7 |
+
"count": 1,
|
| 8 |
+
"label_entity_id": "1",
|
| 9 |
+
"label_asym_id": [
|
| 10 |
+
"A"
|
| 11 |
+
],
|
| 12 |
+
"auth_asym_id": [
|
| 13 |
+
"A"
|
| 14 |
+
]
|
| 15 |
+
}
|
| 16 |
+
},
|
| 17 |
+
{
|
| 18 |
+
"proteinChain": {
|
| 19 |
+
"sequence": "DIQMTQSPSSLSASVGDRVTITCQTTQEISSYLNWYQQKPGQPPKLLIYYASTKAEGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCHYGISKVSFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTAKVVCLLNNFYPREAKVQWKVDNALQSGNSKESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC",
|
| 20 |
+
"count": 1,
|
| 21 |
+
"label_entity_id": "2",
|
| 22 |
+
"label_asym_id": [
|
| 23 |
+
"B"
|
| 24 |
+
],
|
| 25 |
+
"auth_asym_id": [
|
| 26 |
+
"B"
|
| 27 |
+
]
|
| 28 |
+
}
|
| 29 |
+
},
|
| 30 |
+
{
|
| 31 |
+
"proteinChain": {
|
| 32 |
+
"sequence": "EDIVADHVASYGVNLYQSYGPSGQYTHEFDGDEQFYVDLGRKETVWSLPVLRQFRFDPQFALTNIAVLKHNLNSLIKRSNSTAATNEVPEVTVFSKSPVTLGQPNILICLVDNIFPPVVNITWLSNGHSVTEGVSETSFLSKSDHSFFKISYLTLLPSAEESYDCKVEHWGLDKPLLKHWEPELEVLFQ",
|
| 33 |
+
"count": 1,
|
| 34 |
+
"label_entity_id": "3",
|
| 35 |
+
"label_asym_id": [
|
| 36 |
+
"C"
|
| 37 |
+
],
|
| 38 |
+
"auth_asym_id": [
|
| 39 |
+
"C"
|
| 40 |
+
]
|
| 41 |
+
}
|
| 42 |
+
},
|
| 43 |
+
{
|
| 44 |
+
"proteinChain": {
|
| 45 |
+
"sequence": "EPEQPIPEQPQPYPQQPGSGGGGSIEGRGSGGGSRDSPEDFVYQFKGMCYFTNGTERVRLVSRSIYNREEIVRFDSDVGEFRAVTLLGLPAAEYWNSQKDILERKRAAVDRVCRHNYQLELRTTLQRRVEPTVTISPSRTEALNHHNLLVCSVTDFYPAQIKVRWFRNDQEETAGVVSTPLIRNGDWTFQILVMLEMTPQRGDVYTCHVEHPSLQSPITVEWRALEVLFQ",
|
| 46 |
+
"count": 1,
|
| 47 |
+
"label_entity_id": "4",
|
| 48 |
+
"label_asym_id": [
|
| 49 |
+
"D"
|
| 50 |
+
],
|
| 51 |
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|
| 52 |
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"D"
|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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|
| 59 |
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|
| 60 |
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|
| 61 |
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|
| 63 |
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|
| 64 |
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|
| 65 |
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|
| 66 |
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|
| 67 |
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|
| 68 |
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|
| 69 |
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|
| 70 |
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|
| 71 |
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|
| 72 |
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|
| 73 |
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|
| 74 |
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|
| 75 |
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| 76 |
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|
| 77 |
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|
| 78 |
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|
| 79 |
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|
| 80 |
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|
| 81 |
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|
| 82 |
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|
| 83 |
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|
| 84 |
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|
| 85 |
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|
| 86 |
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|
| 87 |
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|
| 88 |
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|
| 89 |
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|
| 90 |
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|
| 91 |
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|
| 92 |
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|
| 93 |
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|
| 94 |
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|
| 95 |
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|
| 96 |
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|
| 97 |
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|
| 98 |
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|
| 99 |
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|
| 100 |
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|
| 101 |
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| 102 |
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|
| 103 |
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|
| 104 |
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|
| 105 |
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|
| 106 |
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|
| 107 |
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|
| 108 |
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|
| 109 |
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| 111 |
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|
| 112 |
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|
| 113 |
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|
| 114 |
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|
| 115 |
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|
| 116 |
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|
| 117 |
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|
| 118 |
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|
| 119 |
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|
| 120 |
+
}
|
| 121 |
+
]
|
protenix_json/8wsn_E_F_A.json
ADDED
|
@@ -0,0 +1,144 @@
|
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|
|
|
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|
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|
|
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|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
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|
|
|
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|
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|
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|
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|
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|
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|
|
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|
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|
|
|
|
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|
|
| 1 |
+
[
|
| 2 |
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{
|
| 3 |
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"sequences": [
|
| 4 |
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{
|
| 5 |
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|
| 6 |
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| 13 |
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|
| 14 |
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| 15 |
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| 17 |
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|
| 18 |
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|
| 19 |
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"sequence": "QVQLVQSGAEVKKPGESLTISCETSRYNFTYHWVGWVRQMPGEGLEWMGIIYPGDSDTRYSPSFQGQITISADKSLSTTYLHWRRLKASDTAIYYCARLKPAWGRGYYFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDK",
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| 31 |
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|
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| 42 |
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| 43 |
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| 44 |
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|
| 63 |
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|
| 64 |
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| 121 |
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|
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| 124 |
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| 125 |
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|
| 126 |
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|
| 127 |
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|
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| 129 |
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|
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| 132 |
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| 134 |
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|
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| 137 |
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|
| 139 |
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|
| 140 |
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|
| 141 |
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],
|
| 142 |
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"name": "8wsn_E_F_A"
|
| 143 |
+
}
|
| 144 |
+
]
|
protenix_json/8wz4_H_L_C.json
ADDED
|
@@ -0,0 +1,80 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
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|
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|
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|
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|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
[
|
| 2 |
+
{
|
| 3 |
+
"sequences": [
|
| 4 |
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{
|
| 5 |
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|
| 6 |
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"sequence": "QNITEEFYQSTCSAVSKGYLSALRTGWYTSVITIELSNIKENKCNGTDAKVKLIKQELDKYKNAVTELQLLMQSTPATNNRARRELPRFMNYTLNNAKKTNVTLSKKRKRRFLGFLLGVGSAIASGVAVCKVLHLEGEVNKIKSALLSTNKAVVSLSNGVSVLTFKVLDLKNYIDKQLLPILNKQSCSISNIETVIEFQQKNNRLLEITREFSVNAGVTTPVSTYMLTNSELLSLINDMPITNDQKKLMSNNVQIVRQQSYSIMCIIKEEVLAYVVQLPLYGVIDTPCWKLHTSPLCTTNTKEGSNICLTRTDRGWYCDNAGSVSFFPQAETCKVQSNRVFCDTMNSLTLPSEVNLCNVDIFNPKYDCKIMTSKTDVSSSVITSLGAIVSCYGKTKCTASNKNRGIIKTFSNGCDYVSNKGVDTVSVGNTLYYVNKQEGKSLYVKGEPIINFYDPLVFPSDEFDASISQVNEKINQSLAFIRKSDEL",
|
| 7 |
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| 9 |
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| 10 |
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| 11 |
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| 14 |
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| 15 |
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| 16 |
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|
| 17 |
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{
|
| 18 |
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|
| 19 |
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"sequence": "QIQLVQSGPELKKPGETVKISCKASGYTFTDYSMHWLKQAPGKGLKWMGWITTETGEPTYADDFKGRFAFSLETSASTAYLQINNLKNEDTGIYFCARYYYGPFYWGQGTLVTVST",
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| 29 |
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| 30 |
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|
| 31 |
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|
| 32 |
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| 45 |
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|
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| 70 |
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|
| 71 |
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|
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|
| 75 |
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|
| 76 |
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}
|
| 77 |
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],
|
| 78 |
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"name": "8wz4_H_L_C"
|
| 79 |
+
}
|
| 80 |
+
]
|
protenix_json/8wz5_H_L_A.json
ADDED
|
@@ -0,0 +1,120 @@
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| 1 |
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[
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| 2 |
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{
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| 3 |
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| 4 |
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| 5 |
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| 6 |
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| 11 |
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| 12 |
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| 14 |
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| 16 |
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| 18 |
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| 19 |
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| 22 |
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| 24 |
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| 26 |
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| 27 |
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| 28 |
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| 29 |
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| 30 |
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| 31 |
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| 32 |
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| 63 |
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| 65 |
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| 66 |
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| 67 |
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| 68 |
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| 69 |
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| 70 |
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| 71 |
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| 72 |
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| 79 |
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| 89 |
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| 90 |
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| 93 |
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| 94 |
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| 97 |
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| 102 |
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| 109 |
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| 110 |
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| 111 |
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| 117 |
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| 118 |
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"name": "8wz5_H_L_A"
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| 119 |
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}
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| 120 |
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]
|
protenix_json/8x2l_H_L_B.json
ADDED
|
@@ -0,0 +1,72 @@
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|
| 1 |
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[
|
| 2 |
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{
|
| 3 |
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"sequences": [
|
| 4 |
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{
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| 5 |
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| 6 |
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"sequence": "MGNWAVNEGLSIFVILVWLGLNVFLFVWYYRVYDIPPKFFYTRKLLGSALALARAPAACLNFNCMLILLPVCRNLLSFLRGSSACCSTRVRRQLDRNLTFHKMVAWMIALHSAIHTIAHLFNVEWCVNARVNNSDPYSVALSELGDRQNESYLNFARKRIKNPEGGLYLAVTLLAGITGVVITLCLILIITSSTKTIRRSYFEVFWYTHHLFVIFFIGLAIHGAERIVRGQTAESLAVHNITVCEQKISEWGKIKECPIPQFAGNPPMTWKWIVGPMFLYLCERLVRFWRSQQKVVITKVVTHPFKTIELQMKKKGFKMEVGQYIFVKCPKVSKLEWHPFTLTSAPEEDFFSIHIRIVGDWTEGLFNACGCDKQEFQDAWKLPKIAVDGPFGTASEDVFSYEVVMLVGAGIGVTPFASILKSVWYKYCNNATNLKLKKIYFYWLCRDTHAFEWFADLLQLLESQMQERNNAGFLSYNIYLTGWDESQANHFAVHHDEEKDVITGLKQKTLYGRPNWDNEFKTIASQHPNTRIGVFLCGPEALAETLSKQSISNSESGPRGVHFIFNKENF",
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| 12 |
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| 14 |
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| 15 |
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| 16 |
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| 17 |
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{
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| 18 |
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| 19 |
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| 30 |
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{
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| 31 |
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| 32 |
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| 65 |
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| 67 |
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| 68 |
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| 69 |
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| 70 |
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"name": "8x2l_H_L_B"
|
| 71 |
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}
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| 72 |
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|
protenix_json/8xsl_H_L_A.json
ADDED
|
@@ -0,0 +1,184 @@
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|
| 1 |
+
[
|
| 2 |
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{
|
| 3 |
+
"sequences": [
|
| 4 |
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{
|
| 5 |
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"proteinChain": {
|
| 6 |
+
"sequence": "MFVFLVLLPLVSSQCVNLTTRTQLPPAYTNSFTRGVYYPDKVFRSSVLHSTQDLFLPFFSNVTWFHAIHVSGTNGTKRFDNPVLPFNDGVYFASTEKSNIIRGWIFGTTLDSKTQSLLIVNNATNVVIKVCEFQFCNDPFLGVYYHKNNKSWMESEFRVYSSANNCTFEYVSQPFLMDLEGKQGNFKNLREFVFKNIDGYFKIYSKHTPINLVRDLPQGFSALEPLVDLPIGINITRFQTLLALHRSYLTPGDSSSGWTAGAAAYYVGYLQPRTFLLKYNENGTITDAVDCALDPLSETKCTLKSFTVEKGIYQTSNFRVQPTESIVRFPNITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPKKSTNLVKNKCVNFNFNGLTGTGVLTESNKKFLPFQQFGRDIADTTDAVRDPQTLEILDITPCSFGGVSVITPGTNTSNQVAVLYQDVNCTEVPVAIHADQLTPTWRVYSTGSNVFQTRAGCLIGAEHVNNSYECDIPIGAGICASYQTQTNSPRRARSVASQSIIAYTMSLGAENSVAYSNNSIAIPTNFTISVTTEILPVSMTKTSVDCTMYICGDSTECSNLLLQYGSFCTQLNRALTGIAVEQDKNTQEVFAQVKQIYKTPPIKDFGGFNFSQILPDPSKPSKRSFIEDLLFNKVTLADAGFIKQYGDCLGDIAARDLICAQKFNGLTVLPPLLTDEMIAQYTSALLAGTITSGWTFGAGAALQIPFAMQMAYRFNGIGVTQNVLYENQKLIANQFNSAIGKIQDSLSSTASALGKLQDVVNQNAQALNTLVKQLSSNFGAISSVLNDILSRLDPPEAEVQIDRLITGRLQSLQTYVTQQLIRAAEIRASANLAATKMSECVLGQSKRVDFCGKGYHLMSFPQSAPHGVVFLHVTYVPAQEKNFTTAPAICHDGKAHFPREGVFVSNGTHWFVTQRNFYEPQIITTDNTFVSGNCDVVIGIVNNTVYDPLQPELDSFKEELDKYFKNHTSPDVDLGDISGINASVVNIQKEIDRLNEVAKNLNESLIDLQELGKYEQYIKWPWYIWLGFIAGLIAIVMVTIMLCCMTSCCSCLKGCCSCGSCCKFDEDDSEPVLKGVKLHYT",
|
| 7 |
+
"count": 1,
|
| 8 |
+
"label_entity_id": "1",
|
| 9 |
+
"label_asym_id": [
|
| 10 |
+
"A"
|
| 11 |
+
],
|
| 12 |
+
"auth_asym_id": [
|
| 13 |
+
"A"
|
| 14 |
+
]
|
| 15 |
+
}
|
| 16 |
+
},
|
| 17 |
+
{
|
| 18 |
+
"proteinChain": {
|
| 19 |
+
"sequence": "QVQLVESGGGLVQPGGSLRLSCAASGFTFSSYAMSWVRQAPGKGLEWVSAISGSGGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAKDHLITMVQPEYFHHWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSC",
|
| 20 |
+
"count": 1,
|
| 21 |
+
"label_entity_id": "2",
|
| 22 |
+
"label_asym_id": [
|
| 23 |
+
"D"
|
| 24 |
+
],
|
| 25 |
+
"auth_asym_id": [
|
| 26 |
+
"H"
|
| 27 |
+
]
|
| 28 |
+
}
|
| 29 |
+
},
|
| 30 |
+
{
|
| 31 |
+
"proteinChain": {
|
| 32 |
+
"sequence": "DIQMTQSPSSVSASVGDSVTITCRASQGISRWLAWYQQRPGKAPKLLIYAAGNLETGVPSRFSGSGSGTDFTLTISDLQAEDFATYYCQQADSFPLTFGGGTKVDIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGECS",
|
| 33 |
+
"count": 1,
|
| 34 |
+
"label_entity_id": "3",
|
| 35 |
+
"label_asym_id": [
|
| 36 |
+
"E"
|
| 37 |
+
],
|
| 38 |
+
"auth_asym_id": [
|
| 39 |
+
"L"
|
| 40 |
+
]
|
| 41 |
+
}
|
| 42 |
+
}
|
| 43 |
+
],
|
| 44 |
+
"covalent_bonds": [
|
| 45 |
+
{
|
| 46 |
+
"entity1": 1,
|
| 47 |
+
"position1": 131,
|
| 48 |
+
"atom1": "SG",
|
| 49 |
+
"entity2": 1,
|
| 50 |
+
"position2": 166,
|
| 51 |
+
"atom2": "SG"
|
| 52 |
+
},
|
| 53 |
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{
|
| 54 |
+
"entity1": 1,
|
| 55 |
+
"position1": 291,
|
| 56 |
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"atom1": "SG",
|
| 57 |
+
"entity2": 1,
|
| 58 |
+
"position2": 301,
|
| 59 |
+
"atom2": "SG"
|
| 60 |
+
},
|
| 61 |
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{
|
| 62 |
+
"entity1": 1,
|
| 63 |
+
"position1": 336,
|
| 64 |
+
"atom1": "SG",
|
| 65 |
+
"entity2": 1,
|
| 66 |
+
"position2": 361,
|
| 67 |
+
"atom2": "SG"
|
| 68 |
+
},
|
| 69 |
+
{
|
| 70 |
+
"entity1": 1,
|
| 71 |
+
"position1": 379,
|
| 72 |
+
"atom1": "SG",
|
| 73 |
+
"entity2": 1,
|
| 74 |
+
"position2": 432,
|
| 75 |
+
"atom2": "SG"
|
| 76 |
+
},
|
| 77 |
+
{
|
| 78 |
+
"entity1": 1,
|
| 79 |
+
"position1": 391,
|
| 80 |
+
"atom1": "SG",
|
| 81 |
+
"entity2": 1,
|
| 82 |
+
"position2": 525,
|
| 83 |
+
"atom2": "SG"
|
| 84 |
+
},
|
| 85 |
+
{
|
| 86 |
+
"entity1": 1,
|
| 87 |
+
"position1": 480,
|
| 88 |
+
"atom1": "SG",
|
| 89 |
+
"entity2": 1,
|
| 90 |
+
"position2": 488,
|
| 91 |
+
"atom2": "SG"
|
| 92 |
+
},
|
| 93 |
+
{
|
| 94 |
+
"entity1": 1,
|
| 95 |
+
"position1": 538,
|
| 96 |
+
"atom1": "SG",
|
| 97 |
+
"entity2": 1,
|
| 98 |
+
"position2": 590,
|
| 99 |
+
"atom2": "SG"
|
| 100 |
+
},
|
| 101 |
+
{
|
| 102 |
+
"entity1": 1,
|
| 103 |
+
"position1": 617,
|
| 104 |
+
"atom1": "SG",
|
| 105 |
+
"entity2": 1,
|
| 106 |
+
"position2": 649,
|
| 107 |
+
"atom2": "SG"
|
| 108 |
+
},
|
| 109 |
+
{
|
| 110 |
+
"entity1": 1,
|
| 111 |
+
"position1": 662,
|
| 112 |
+
"atom1": "SG",
|
| 113 |
+
"entity2": 1,
|
| 114 |
+
"position2": 671,
|
| 115 |
+
"atom2": "SG"
|
| 116 |
+
},
|
| 117 |
+
{
|
| 118 |
+
"entity1": 1,
|
| 119 |
+
"position1": 738,
|
| 120 |
+
"atom1": "SG",
|
| 121 |
+
"entity2": 1,
|
| 122 |
+
"position2": 760,
|
| 123 |
+
"atom2": "SG"
|
| 124 |
+
},
|
| 125 |
+
{
|
| 126 |
+
"entity1": 1,
|
| 127 |
+
"position1": 743,
|
| 128 |
+
"atom1": "SG",
|
| 129 |
+
"entity2": 1,
|
| 130 |
+
"position2": 749,
|
| 131 |
+
"atom2": "SG"
|
| 132 |
+
},
|
| 133 |
+
{
|
| 134 |
+
"entity1": 1,
|
| 135 |
+
"position1": 1032,
|
| 136 |
+
"atom1": "SG",
|
| 137 |
+
"entity2": 1,
|
| 138 |
+
"position2": 1043,
|
| 139 |
+
"atom2": "SG"
|
| 140 |
+
},
|
| 141 |
+
{
|
| 142 |
+
"entity1": 1,
|
| 143 |
+
"position1": 1082,
|
| 144 |
+
"atom1": "SG",
|
| 145 |
+
"entity2": 1,
|
| 146 |
+
"position2": 1126,
|
| 147 |
+
"atom2": "SG"
|
| 148 |
+
},
|
| 149 |
+
{
|
| 150 |
+
"entity1": 2,
|
| 151 |
+
"position1": 22,
|
| 152 |
+
"atom1": "SG",
|
| 153 |
+
"entity2": 2,
|
| 154 |
+
"position2": 96,
|
| 155 |
+
"atom2": "SG"
|
| 156 |
+
},
|
| 157 |
+
{
|
| 158 |
+
"entity1": 2,
|
| 159 |
+
"position1": 150,
|
| 160 |
+
"atom1": "SG",
|
| 161 |
+
"entity2": 2,
|
| 162 |
+
"position2": 206,
|
| 163 |
+
"atom2": "SG"
|
| 164 |
+
},
|
| 165 |
+
{
|
| 166 |
+
"entity1": 3,
|
| 167 |
+
"position1": 23,
|
| 168 |
+
"atom1": "SG",
|
| 169 |
+
"entity2": 3,
|
| 170 |
+
"position2": 88,
|
| 171 |
+
"atom2": "SG"
|
| 172 |
+
},
|
| 173 |
+
{
|
| 174 |
+
"entity1": 3,
|
| 175 |
+
"position1": 134,
|
| 176 |
+
"atom1": "SG",
|
| 177 |
+
"entity2": 3,
|
| 178 |
+
"position2": 194,
|
| 179 |
+
"atom2": "SG"
|
| 180 |
+
}
|
| 181 |
+
],
|
| 182 |
+
"name": "8xsl_H_L_A"
|
| 183 |
+
}
|
| 184 |
+
]
|
protenix_json/8y0q_H_L_2.json
ADDED
|
@@ -0,0 +1,72 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
[
|
| 2 |
+
{
|
| 3 |
+
"sequences": [
|
| 4 |
+
{
|
| 5 |
+
"proteinChain": {
|
| 6 |
+
"sequence": "DKKTEETTLLEDRILTTRNGHTTSTTQSSVGVTYGYATAEDFVSGPNTSGLETRVVQAERFFKTHLFDWGTNDSFGRCHLLELPTDHKGVYGSLTDSYAYMRNGWDVEVTAVGNQFNGGCLLVAMVPELCSITKRELYQLTLFPHQFINPRTNMTAHITVPYLGVNRYDQYKVHKPWTLVVTVVAPLTVKNEGAPQIKVYANIAPTNVYVAGELPSKE",
|
| 7 |
+
"count": 1,
|
| 8 |
+
"label_entity_id": "2",
|
| 9 |
+
"label_asym_id": [
|
| 10 |
+
"B"
|
| 11 |
+
],
|
| 12 |
+
"auth_asym_id": [
|
| 13 |
+
"2"
|
| 14 |
+
]
|
| 15 |
+
}
|
| 16 |
+
},
|
| 17 |
+
{
|
| 18 |
+
"proteinChain": {
|
| 19 |
+
"sequence": "EEKVVESGGGLVQPGGSLRLSCVGSGFNFKNYEINWVRQAPGKALEWLAYITQTSDFIYYADSVKGRFTISRDNSRNTAYLQMNNLRTEDTARYFCTRAGLTGCKSRHCMYVWGPGAEVVVSS",
|
| 20 |
+
"count": 1,
|
| 21 |
+
"label_entity_id": "5",
|
| 22 |
+
"label_asym_id": [
|
| 23 |
+
"E"
|
| 24 |
+
],
|
| 25 |
+
"auth_asym_id": [
|
| 26 |
+
"H"
|
| 27 |
+
]
|
| 28 |
+
}
|
| 29 |
+
},
|
| 30 |
+
{
|
| 31 |
+
"proteinChain": {
|
| 32 |
+
"sequence": "QTVIQEPAMSVSLGGTVTLTCGFISGSVTGTNYPSWFQQTPGQPPRLLIYYANSRPTEVPSRFSGAISGNKAALTITGAQAEDEADYFCCLYKTNNNILFGGGTHLTVL",
|
| 33 |
+
"count": 1,
|
| 34 |
+
"label_entity_id": "6",
|
| 35 |
+
"label_asym_id": [
|
| 36 |
+
"F"
|
| 37 |
+
],
|
| 38 |
+
"auth_asym_id": [
|
| 39 |
+
"L"
|
| 40 |
+
]
|
| 41 |
+
}
|
| 42 |
+
}
|
| 43 |
+
],
|
| 44 |
+
"covalent_bonds": [
|
| 45 |
+
{
|
| 46 |
+
"entity1": 2,
|
| 47 |
+
"position1": 22,
|
| 48 |
+
"atom1": "SG",
|
| 49 |
+
"entity2": 2,
|
| 50 |
+
"position2": 96,
|
| 51 |
+
"atom2": "SG"
|
| 52 |
+
},
|
| 53 |
+
{
|
| 54 |
+
"entity1": 2,
|
| 55 |
+
"position1": 104,
|
| 56 |
+
"atom1": "SG",
|
| 57 |
+
"entity2": 2,
|
| 58 |
+
"position2": 109,
|
| 59 |
+
"atom2": "SG"
|
| 60 |
+
},
|
| 61 |
+
{
|
| 62 |
+
"entity1": 3,
|
| 63 |
+
"position1": 21,
|
| 64 |
+
"atom1": "SG",
|
| 65 |
+
"entity2": 3,
|
| 66 |
+
"position2": 89,
|
| 67 |
+
"atom2": "SG"
|
| 68 |
+
}
|
| 69 |
+
],
|
| 70 |
+
"name": "8y0q_H_L_2"
|
| 71 |
+
}
|
| 72 |
+
]
|
protenix_json/8yj5_C__A.json
ADDED
|
@@ -0,0 +1,51 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
[
|
| 2 |
+
{
|
| 3 |
+
"sequences": [
|
| 4 |
+
{
|
| 5 |
+
"proteinChain": {
|
| 6 |
+
"sequence": "EVQLVESGGGLVQPGGSLRLSCAASGFTLDNYAIGWFRQAPGKEREGVSCIGLSAVTTYDTDSVKGRFTISRDSARNTVYLQMNSLRPEDTAVYFCAAFPYSDYCPDSDDFLQHRGHGTQVTVSSAAGHHHHHH",
|
| 7 |
+
"count": 1,
|
| 8 |
+
"label_entity_id": "1",
|
| 9 |
+
"label_asym_id": [
|
| 10 |
+
"A"
|
| 11 |
+
],
|
| 12 |
+
"auth_asym_id": [
|
| 13 |
+
"C"
|
| 14 |
+
]
|
| 15 |
+
}
|
| 16 |
+
},
|
| 17 |
+
{
|
| 18 |
+
"proteinChain": {
|
| 19 |
+
"sequence": "DKLKVVATNSIIADMTKAIAGDKIDLHSIVPIGQDPHEYEPLPEDVEKTSNADVIFYNGINLEDGGQAWFTKLVKNAQKTKNKDYFAVSDGIDVIYLEGASEKGKEDPHAWLNLENGIIYSKNIAKQLIAKDPKNKETYEKNLKAYVAKLEKLDKEAKSKFDAIAENKKLIVTSEGCFKYFSKAYGVPSAYIWEINTEEEGTPDQISSLIEKLKVIKPSALFVESSVDRRPMETVSKDSGIPIYSEIFTDSIAKKGKPGDSYYAMMKWNLDKISEGLAK",
|
| 20 |
+
"count": 1,
|
| 21 |
+
"label_entity_id": "2",
|
| 22 |
+
"label_asym_id": [
|
| 23 |
+
"B"
|
| 24 |
+
],
|
| 25 |
+
"auth_asym_id": [
|
| 26 |
+
"A"
|
| 27 |
+
]
|
| 28 |
+
}
|
| 29 |
+
}
|
| 30 |
+
],
|
| 31 |
+
"covalent_bonds": [
|
| 32 |
+
{
|
| 33 |
+
"entity1": 1,
|
| 34 |
+
"position1": 22,
|
| 35 |
+
"atom1": "SG",
|
| 36 |
+
"entity2": 1,
|
| 37 |
+
"position2": 96,
|
| 38 |
+
"atom2": "SG"
|
| 39 |
+
},
|
| 40 |
+
{
|
| 41 |
+
"entity1": 1,
|
| 42 |
+
"position1": 50,
|
| 43 |
+
"atom1": "SG",
|
| 44 |
+
"entity2": 1,
|
| 45 |
+
"position2": 105,
|
| 46 |
+
"atom2": "SG"
|
| 47 |
+
}
|
| 48 |
+
],
|
| 49 |
+
"name": "8yj5_C__A"
|
| 50 |
+
}
|
| 51 |
+
]
|
protenix_json/8ywx_E_D_A.json
ADDED
|
@@ -0,0 +1,112 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
[
|
| 2 |
+
{
|
| 3 |
+
"sequences": [
|
| 4 |
+
{
|
| 5 |
+
"proteinChain": {
|
| 6 |
+
"sequence": "EVQLVESGGDLVQPGGSLRLSCAASGFIVSRNYMSWVRQAPGKGLEWVSSIYSGGSTFYAGSVKGRFTISRDNSKNTLYLQMNSLRAEDTAIYYCARDIPRHGGDSWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGKGGGGSGGGGSGGGGEVQLVESGGGLVQPGWSLRLSCVVSGLKFDDFAMHWVRQVPGKGLEWVSGLNWNGDNVAFADSVKGRFTISRDNAENSLYLQMNNLRPEDTAFYYCAKDSYYDILTGYSGAFDMWGQGTMVTVSSGGGGSGGGGSGGGGAIRMTQSPATLSLSPGERATLSCRASQSVHNYLAWYQQKPGQAPRLLFYDASNRATGIPARFSASASGTDSTLTISSLEPEDFAVYYCQQRRNGYSFGQGTKVEIKR",
|
| 7 |
+
"count": 1,
|
| 8 |
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|
| 9 |
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|
| 10 |
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"A"
|
| 11 |
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],
|
| 12 |
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"auth_asym_id": [
|
| 13 |
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"E"
|
| 14 |
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]
|
| 15 |
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}
|
| 16 |
+
},
|
| 17 |
+
{
|
| 18 |
+
"proteinChain": {
|
| 19 |
+
"sequence": "AIRMTQSPASLSASIGDRVTITCQASQDINKYLNWYQQKPGKAPRLLIYDASNLETGVPSRFSGSGSGTDFTFTISSLQPEDIATYYCQQYDNLPITFGQGTRLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC",
|
| 20 |
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"count": 1,
|
| 21 |
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"label_entity_id": "2",
|
| 22 |
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"label_asym_id": [
|
| 23 |
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"B"
|
| 24 |
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],
|
| 25 |
+
"auth_asym_id": [
|
| 26 |
+
"D"
|
| 27 |
+
]
|
| 28 |
+
}
|
| 29 |
+
},
|
| 30 |
+
{
|
| 31 |
+
"proteinChain": {
|
| 32 |
+
"sequence": "AYTNSFTRGVYYPDKVFRSSVLHSTQDLFLPFFSNVTWFHAIHVSGTNGTKRFDNPVLPFNDGVYFASTEKSNIIRGWIFGTTLDSKTQSLLIVNNATNVVIKVCEFQFCNDPFLGVYYHKNNKSWMESDFRVYSSANNCTFEYVSQPFLMDLEGKQGNFKNLREFVFKNIDGYFKIYSKHTPINLVRDLPQGFSALEPLVDLPIGINITRFQTLLALHRSYLTPGDSSSGWTAGAAAYYVGYLQPRTFLLKYNENGTITDAVDCALDPLSETKCTLKSFTVEKGIYQTSNFRVQPTESIVRFPNITNLCPFDEVFNATRFASVYAWNRKRISNCVADYSVLYNFAPFFAFKCYGVSPTKLNDLCFTNVYADSFVIRGNEVSQIAPGQTGNIADYNYKLPDDFTGCVIAWNSNKLDSKVGGNYNYRYRLFRKSNLKPFERDISTEIYQAGNKPCNGVAGVNCYFPLQSYGFRPTYGVGHQPYRVVVLSFELLHAPATVCGPKKSTNLVKNKCVNFNFNGLTGTGVLTESNKKFLPFQQFGRDIADTTDAVRDPQTLEILDITPCSFGGVSVITPGTNTSNQVAVLYQGVNCTEVPVAIHADQLTPTWRVYSTGSNVFQTRAGCLIGAEYVNSSYECDIPIGAGICASYQTQTNSPRRARSVASQSIIAYTMSLGAENSVAYSNNSIAIPTNFTISVTTEILPVSMTKTSVDCTMYICGDSTECSNLLLQYGSFCTQLKRALTGIAVEQDKNTQEVFAQVKQIYKTPPIKYFGGFNFSQILPDPSKPSKRSPIEDLLFNKVTLADAGFIKQYGDCLGDIAARDLICAQKFNGLTVLPPLLTDEMIAQYTSALLAGTITSGWTFGAGPALQIPFPMQMAYRFNGIGVTQNVLYENQKLIANQFNSAIGKIQDSLSSTPSALGKLQDVVNHNAQALNTLVKQLSSKFGAISSVLNDILSRLDPPEAEVQIDRLITGRLQSLQTYVTQQLIRAAEIRASANLAATKMSECVLGQSKRVDFCGKGYHLMSFPQSAPHGVVFLHVTYVPAQEKNFTTAPAICHDGKAHFPREGVFVSNGTHWFVTQRNFYEPQIITTDNTFVSGNCDVVIGIVNNTVYDPLQPELD",
|
| 33 |
+
"count": 1,
|
| 34 |
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"label_entity_id": "3",
|
| 35 |
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"label_asym_id": [
|
| 36 |
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"C"
|
| 37 |
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],
|
| 38 |
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"auth_asym_id": [
|
| 39 |
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"A"
|
| 40 |
+
]
|
| 41 |
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}
|
| 42 |
+
}
|
| 43 |
+
],
|
| 44 |
+
"covalent_bonds": [
|
| 45 |
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{
|
| 46 |
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|
| 47 |
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|
| 48 |
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"atom1": "SG",
|
| 49 |
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|
| 50 |
+
"position2": 95,
|
| 51 |
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"atom2": "SG"
|
| 52 |
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},
|
| 53 |
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{
|
| 54 |
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"entity1": 1,
|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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|
| 59 |
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"atom2": "SG"
|
| 60 |
+
},
|
| 61 |
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{
|
| 62 |
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"entity1": 2,
|
| 63 |
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"position1": 23,
|
| 64 |
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|
| 65 |
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|
| 66 |
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|
| 67 |
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|
| 68 |
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},
|
| 69 |
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{
|
| 70 |
+
"entity1": 2,
|
| 71 |
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|
| 72 |
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|
| 73 |
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|
| 74 |
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|
| 75 |
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"atom2": "SG"
|
| 76 |
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},
|
| 77 |
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{
|
| 78 |
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|
| 79 |
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|
| 80 |
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|
| 81 |
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|
| 82 |
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"position2": 335,
|
| 83 |
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"atom2": "SG"
|
| 84 |
+
},
|
| 85 |
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{
|
| 86 |
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"entity1": 3,
|
| 87 |
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"position1": 353,
|
| 88 |
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"atom1": "SG",
|
| 89 |
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"entity2": 3,
|
| 90 |
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"position2": 406,
|
| 91 |
+
"atom2": "SG"
|
| 92 |
+
},
|
| 93 |
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{
|
| 94 |
+
"entity1": 3,
|
| 95 |
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|
| 96 |
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"atom1": "SG",
|
| 97 |
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"entity2": 3,
|
| 98 |
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"position2": 499,
|
| 99 |
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"atom2": "SG"
|
| 100 |
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},
|
| 101 |
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{
|
| 102 |
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"entity1": 3,
|
| 103 |
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"position1": 454,
|
| 104 |
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"atom1": "SG",
|
| 105 |
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|
| 106 |
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|
| 107 |
+
"atom2": "SG"
|
| 108 |
+
}
|
| 109 |
+
],
|
| 110 |
+
"name": "8ywx_E_D_A"
|
| 111 |
+
}
|
| 112 |
+
]
|
protenix_json/8zby_H_D_A.json
ADDED
|
@@ -0,0 +1,184 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
[
|
| 2 |
+
{
|
| 3 |
+
"sequences": [
|
| 4 |
+
{
|
| 5 |
+
"proteinChain": {
|
| 6 |
+
"sequence": "QCVNLTTRTQLPPAYTNSFTRGVYYPDKVFRSSVLHSTQDLFLPFFSNVTWFHVISGTNGTKRFDNPVLPFNDGVYFASIEKSNIIRGWIFGTTLDSKTQSLLIVNNATNVVIKVCEFQFCNDPFLDHKNNKSWMESEFRVYSSANNCTFEYVSQPFLMDLEGKQGNFKNLREFVFKNIDGYFKIYSKHTPIIVREPEDLPQGFSALEPLVDLPIGINITRFQTLLALHRSYLTPGDSSSGWTAGAAAYYVGYLQPRTFLLKYNENGTITDAVDCALDPLSETKCTLKSFTVEKGIYQTSNFRVQPTESIVRFPNITNLCPFDEVFNATRFASVYAWNRKRISNCVADYSVLYNLAPFFTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPCQTGNIADYNYKLPDDFTGCVIAWNSNKLDSKVSGNYNYLYRLFRKSNLKPFERDISTEIYQAGNKPCNGVAGFNCYFPLRSYSFRPTYGVGHQPYRVVVLSFELLHAPATVCGPKKSTNLVKNKCVNFNFNGLKGTGVLTESNKKFLPFQQFGRDIADTTDAVRDPQTLEILDITPCSFGGVSVITPGTNTSNQVAVLYQGVNCTEVPVAIHADQLTPTWRVYSTGSNVFQTRAGCLIGAEYVNNSYECDIPIGAGICASYQTQTKSRSVASQSIIAYTMSLGAENSVAYSNNSIAIPTNFTISVTTEILPVSMTKTSVDCTMYICGDSTECSNLLLQYGSFCTQLKRALTGIAVEQDKNTQEVFAQVKQIYKTPPIKYFGGFNFSQILPDPSKPSKRSPIEDLLFNKVTLADAGFIKQYGDCLGDIAARDLICAQKFKGLTVLPPLLTDEMIAQYTSALLAGTITSGWTFGAGPALQIPFPMQMAYRFNGIGVTQNVLYENQKLIANQFNSAIGKIQDSLSSTPSALGKLQDVVNHNAQALNTLVKQLSSKFGAISSVLNDIFSRLDKCEAEVQIDRLITGRLQSLQTYVTQQLIRAAEIRASANLAATKMSECVLGQSKRVDFCGKGYHLMSFPQSAPHGVVFLHVTYVPAQEKNFTTAPAICHDGKAHFPREGVFVSNGTHWFVTQRNFYEPQIITTDNTFVSGNCDVVIGIVNNTVYDPLQPELDSFKEELDKYFKNHTSPDVDLGDISGINASVVNIQKEIDRLNEVAKNLNESLIDLQELGKYEQYIKGSGRENLYFQGGGGSGYIPEAPRDGQAYVRKDGEWVLLSTFLGHHHHHH",
|
| 7 |
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"count": 1,
|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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}
|
| 16 |
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},
|
| 17 |
+
{
|
| 18 |
+
"proteinChain": {
|
| 19 |
+
"sequence": "EVQLVQSGAEVKKPGASVKVSCKASGYIFSDYNIHWVRQAPGQGLEWMGWISPDSDDTNYAQSFQGRVTMTRDTSITTVYMELSSLRSDDTAVYFCARSVGYCSLNSCQRWMWFDTWGQGALVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC",
|
| 20 |
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"count": 1,
|
| 21 |
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"label_entity_id": "2",
|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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"auth_asym_id": [
|
| 26 |
+
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|
| 27 |
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|
| 28 |
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}
|
| 29 |
+
},
|
| 30 |
+
{
|
| 31 |
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"proteinChain": {
|
| 32 |
+
"sequence": "QPVLTQPPSASGPPGQSVSISCSGSRSNIGTNFVYWYQQLPGAAPKLLIYKNDQRPSGVPERFFGSKSGTSASLAISGLRSEDEVDYYCAAWDDSLSGHVFGAGTKVTVLGTKLTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS",
|
| 33 |
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"count": 1,
|
| 34 |
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"label_entity_id": "3",
|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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}
|
| 42 |
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}
|
| 43 |
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],
|
| 44 |
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|
| 45 |
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{
|
| 46 |
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|
| 47 |
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|
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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{
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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|
| 59 |
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|
| 60 |
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|
| 61 |
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{
|
| 62 |
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|
| 63 |
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|
| 64 |
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|
| 65 |
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|
| 66 |
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|
| 67 |
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|
| 68 |
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|
| 69 |
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{
|
| 70 |
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|
| 71 |
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|
| 72 |
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|
| 73 |
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|
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|
| 75 |
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|
| 76 |
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|
| 77 |
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{
|
| 78 |
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|
| 79 |
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|
| 80 |
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|
| 81 |
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|
| 82 |
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|
| 83 |
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|
| 84 |
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|
| 85 |
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{
|
| 86 |
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|
| 87 |
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|
| 88 |
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|
| 89 |
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|
| 90 |
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|
| 91 |
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|
| 92 |
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|
| 93 |
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{
|
| 94 |
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|
| 95 |
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|
| 96 |
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|
| 97 |
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|
| 98 |
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|
| 99 |
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|
| 100 |
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|
| 101 |
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{
|
| 102 |
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|
| 103 |
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|
| 104 |
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|
| 105 |
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|
| 106 |
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|
| 107 |
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|
| 108 |
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|
| 109 |
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{
|
| 110 |
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|
| 111 |
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|
| 112 |
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|
| 113 |
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|
| 114 |
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|
| 115 |
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|
| 116 |
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|
| 117 |
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|
| 118 |
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|
| 119 |
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|
| 120 |
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|
| 121 |
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|
| 122 |
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|
| 123 |
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|
| 124 |
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|
| 125 |
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{
|
| 126 |
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|
| 127 |
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|
| 128 |
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|
| 129 |
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|
| 130 |
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|
| 131 |
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"atom2": "SG"
|
| 132 |
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|
| 133 |
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{
|
| 134 |
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"entity1": 1,
|
| 135 |
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"position1": 1062,
|
| 136 |
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|
| 137 |
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|
| 138 |
+
"position2": 1106,
|
| 139 |
+
"atom2": "SG"
|
| 140 |
+
},
|
| 141 |
+
{
|
| 142 |
+
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|
| 143 |
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|
| 144 |
+
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|
| 145 |
+
"entity2": 2,
|
| 146 |
+
"position2": 96,
|
| 147 |
+
"atom2": "SG"
|
| 148 |
+
},
|
| 149 |
+
{
|
| 150 |
+
"entity1": 2,
|
| 151 |
+
"position1": 103,
|
| 152 |
+
"atom1": "SG",
|
| 153 |
+
"entity2": 2,
|
| 154 |
+
"position2": 108,
|
| 155 |
+
"atom2": "SG"
|
| 156 |
+
},
|
| 157 |
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{
|
| 158 |
+
"entity1": 2,
|
| 159 |
+
"position1": 154,
|
| 160 |
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"atom1": "SG",
|
| 161 |
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"entity2": 2,
|
| 162 |
+
"position2": 210,
|
| 163 |
+
"atom2": "SG"
|
| 164 |
+
},
|
| 165 |
+
{
|
| 166 |
+
"entity1": 3,
|
| 167 |
+
"position1": 22,
|
| 168 |
+
"atom1": "SG",
|
| 169 |
+
"entity2": 3,
|
| 170 |
+
"position2": 89,
|
| 171 |
+
"atom2": "SG"
|
| 172 |
+
},
|
| 173 |
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{
|
| 174 |
+
"entity1": 3,
|
| 175 |
+
"position1": 145,
|
| 176 |
+
"atom1": "SG",
|
| 177 |
+
"entity2": 3,
|
| 178 |
+
"position2": 204,
|
| 179 |
+
"atom2": "SG"
|
| 180 |
+
}
|
| 181 |
+
],
|
| 182 |
+
"name": "8zby_H_D_A"
|
| 183 |
+
}
|
| 184 |
+
]
|
protenix_json/8zes_E__D.json
ADDED
|
@@ -0,0 +1,83 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
[
|
| 2 |
+
{
|
| 3 |
+
"sequences": [
|
| 4 |
+
{
|
| 5 |
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"proteinChain": {
|
| 6 |
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"sequence": "TNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPKKSTNLVKNKCVNFGSHHHHHHHHHH",
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
+
"D"
|
| 14 |
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|
| 15 |
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|
| 16 |
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},
|
| 17 |
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{
|
| 18 |
+
"proteinChain": {
|
| 19 |
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"sequence": "EVQLVESGGGSVQAGGSLRLSCVASGYTYCSYDMSWYRQAPGKEREFVSIIRRDGSTAYTDAVKGRFAISRDNAKNTLYLQMNSLEPEDTAMYYCKSWACSSGEYLYQGDWGQGTQVTVSSAAAEQKLISEEDLNGAAHHHHHHGS",
|
| 20 |
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|
| 21 |
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"label_entity_id": "2",
|
| 22 |
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"label_asym_id": [
|
| 23 |
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|
| 24 |
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],
|
| 25 |
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"auth_asym_id": [
|
| 26 |
+
"E"
|
| 27 |
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]
|
| 28 |
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}
|
| 29 |
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}
|
| 30 |
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],
|
| 31 |
+
"covalent_bonds": [
|
| 32 |
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{
|
| 33 |
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|
| 34 |
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|
| 35 |
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"atom1": "SG",
|
| 36 |
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|
| 37 |
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"position2": 29,
|
| 38 |
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|
| 39 |
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},
|
| 40 |
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{
|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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},
|
| 48 |
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{
|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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{
|
| 57 |
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|
| 58 |
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|
| 59 |
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|
| 60 |
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|
| 61 |
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|
| 62 |
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|
| 63 |
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},
|
| 64 |
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{
|
| 65 |
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|
| 66 |
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|
| 67 |
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|
| 68 |
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|
| 69 |
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|
| 70 |
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|
| 71 |
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|
| 72 |
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{
|
| 73 |
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|
| 74 |
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|
| 75 |
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|
| 76 |
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|
| 77 |
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"position2": 100,
|
| 78 |
+
"atom2": "SG"
|
| 79 |
+
}
|
| 80 |
+
],
|
| 81 |
+
"name": "8zes_E__D"
|
| 82 |
+
}
|
| 83 |
+
]
|
protenix_json/9bdg_D_G_B.json
ADDED
|
@@ -0,0 +1,90 @@
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
[
|
| 2 |
+
{
|
| 3 |
+
"sequences": [
|
| 4 |
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{
|
| 5 |
+
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|
| 6 |
+
"sequence": "QKIPGNDNSTATLCLGHHAVPNGTIVKTITNDRIEVTNATELVQNSSIGEICGSPHQILDGGNCTLIDALLGDPQCDGFQNKEWDLFVERSRANSNCYPYDVPDYASLRSLVASSGTLEFKNESFNWTGVKQNGTSSACIRGSSSSFFSRLNWLTSLNNIYPAQNVTMPNKEQFDKLYIWGVHHPDTDKNQISLFAQSSGRITVSTKRSQQAVIPNIGSRPRIRDIPSRISIYWTIVKPGDILLINSTGNLIAPRGYFKIRSGKSSIMRSDAPIGKCKSECITPNGSIPNDKPFQNVNRITYGACPRYVKQSTLKLATGMRNVPEKQTRGIFGAIAGFIENGWEGMVDGWYGFRWQNSEGRGQAADLKSTQAAIDQINGILNRLIGKTNEKFHQIEKEFSEVEGRVQDLEKYVEDTKIDLWSYNAELLVALINQHTIDLTDSEMNKLFEKTKKQLRENAEDMGNGCFKIYHKCDNACIGSIRNETYDHNVYRDEALNNRFQIKGAGSSLEVLFQ",
|
| 7 |
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|
| 8 |
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|
| 9 |
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| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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}
|
| 16 |
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|
| 17 |
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{
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| 18 |
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"proteinChain": {
|
| 19 |
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"sequence": "EVQLVESGGGLVQPGRSLRLSCAASGFTFHNYAMHWVRQAPGKGLDWVTGITWNSVNVDYADSVKGRFTISRDNAKNSLYLQMNSLRAEDTALYYCVKGQVWSGYYLTHDAFDLWGQGTTVTVSGASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKGSSLEVLFQ",
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| 20 |
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| 21 |
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| 22 |
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| 23 |
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|
| 24 |
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| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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},
|
| 30 |
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{
|
| 31 |
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|
| 32 |
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| 33 |
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| 34 |
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|
| 35 |
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| 36 |
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|
| 37 |
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| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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}
|
| 43 |
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],
|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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{
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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|
| 59 |
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|
| 60 |
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},
|
| 61 |
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{
|
| 62 |
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|
| 63 |
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|
| 64 |
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|
| 65 |
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|
| 66 |
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|
| 67 |
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|
| 68 |
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|
| 69 |
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{
|
| 70 |
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|
| 71 |
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|
| 72 |
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|
| 73 |
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|
| 74 |
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|
| 75 |
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|
| 76 |
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},
|
| 77 |
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{
|
| 78 |
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"entity1": 3,
|
| 79 |
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|
| 80 |
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|
| 81 |
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|
| 82 |
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|
| 83 |
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|
| 84 |
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"atom2": "SG",
|
| 85 |
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"copy2": 1
|
| 86 |
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}
|
| 87 |
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],
|
| 88 |
+
"name": "9bdg_D_G_B"
|
| 89 |
+
}
|
| 90 |
+
]
|
protenix_json/9bt8_A__B.json
ADDED
|
@@ -0,0 +1,33 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
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|
|
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|
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|
|
|
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|
|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
[
|
| 2 |
+
{
|
| 3 |
+
"sequences": [
|
| 4 |
+
{
|
| 5 |
+
"proteinChain": {
|
| 6 |
+
"sequence": "QVQLQESGGGLVQAGGSLRLSCVVSGFFFDTVTMAWYRRAPGKHRELVASATAGGTTTYADSVKDRFTISRDNAKNTVYLQMNSLKPEDTAVYYCNTFVRSLSWGQGTQVTVSSHHHHHHEPEA",
|
| 7 |
+
"count": 1,
|
| 8 |
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|
| 9 |
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|
| 10 |
+
"D"
|
| 11 |
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],
|
| 12 |
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|
| 13 |
+
"A"
|
| 14 |
+
]
|
| 15 |
+
}
|
| 16 |
+
},
|
| 17 |
+
{
|
| 18 |
+
"proteinChain": {
|
| 19 |
+
"sequence": "GDKGTRVFKKASPNGKLTVYLGKRDFVDHIDLVDPVDGVVLVDPEYLKERRVYVTLTVAFRYGREDLDVLGLTFRKDLFVANVQSFPPAPEDKKPLTRLQERLIKKLGEHAYPFTFEICPNLPSSVTLQPGPEDTGKALGVDYEVKAFVAENLEEKIHKRNSVRLVIRKVQYAPERPGPQPTAETTRQFLMSDKPLHLEASLDKEIYYHGEPISVNVHVTNNTNKTVKKIKISVRQYADIVLFNTAQYKVPVAMEEADDTVAPSSTFSKVYTLTPFLANNREKRGLALDGKLKHEDTNLASSTLLREGANREILGIIVSYKVKVKLVVSRGGLLGDLASSDVAVELPFTLMHPKPKEEPPHREVPESETPVDTNLIELDTNDDDIVFEDFAR",
|
| 20 |
+
"count": 1,
|
| 21 |
+
"label_entity_id": "5",
|
| 22 |
+
"label_asym_id": [
|
| 23 |
+
"E"
|
| 24 |
+
],
|
| 25 |
+
"auth_asym_id": [
|
| 26 |
+
"B"
|
| 27 |
+
]
|
| 28 |
+
}
|
| 29 |
+
}
|
| 30 |
+
],
|
| 31 |
+
"name": "9bt8_A__B"
|
| 32 |
+
}
|
| 33 |
+
]
|
protenix_json/9fkd_H_L_B.json
ADDED
|
@@ -0,0 +1,88 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
[
|
| 2 |
+
{
|
| 3 |
+
"sequences": [
|
| 4 |
+
{
|
| 5 |
+
"proteinChain": {
|
| 6 |
+
"sequence": "DEKAKTAETLIWQLFGKAMQQSDPNEAEKLLKKAEELAKKANDPRLEQVVRQHQVVVRFLVGGSHHHHHH",
|
| 7 |
+
"count": 1,
|
| 8 |
+
"label_entity_id": "1",
|
| 9 |
+
"label_asym_id": [
|
| 10 |
+
"A"
|
| 11 |
+
],
|
| 12 |
+
"auth_asym_id": [
|
| 13 |
+
"B"
|
| 14 |
+
]
|
| 15 |
+
}
|
| 16 |
+
},
|
| 17 |
+
{
|
| 18 |
+
"proteinChain": {
|
| 19 |
+
"sequence": "ETGQIQLVQSGPELKKPGETVKISCKASGYAFTNYGVNWVKEAPGKELKWMGWINIYTGEPTYVDDFKGRFAFSLETSASTAYLEINNLKNEDTATYFCTRGDYVNWYFDVWGAGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTGTKHHHHHH",
|
| 20 |
+
"count": 1,
|
| 21 |
+
"label_entity_id": "2",
|
| 22 |
+
"label_asym_id": [
|
| 23 |
+
"B"
|
| 24 |
+
],
|
| 25 |
+
"auth_asym_id": [
|
| 26 |
+
"H"
|
| 27 |
+
]
|
| 28 |
+
}
|
| 29 |
+
},
|
| 30 |
+
{
|
| 31 |
+
"proteinChain": {
|
| 32 |
+
"sequence": "ETGDVVMTQIPLSLPVSLGEQASISCRSSQSLIHSNGNTYLHWYLQKPGQSPKLLMYKVSNRFYGVPDRFSGSGSGTDFTLKISRVEAEDLGIYFCSQSSHVPPTFGGGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC",
|
| 33 |
+
"count": 1,
|
| 34 |
+
"label_entity_id": "3",
|
| 35 |
+
"label_asym_id": [
|
| 36 |
+
"C"
|
| 37 |
+
],
|
| 38 |
+
"auth_asym_id": [
|
| 39 |
+
"L"
|
| 40 |
+
]
|
| 41 |
+
}
|
| 42 |
+
}
|
| 43 |
+
],
|
| 44 |
+
"covalent_bonds": [
|
| 45 |
+
{
|
| 46 |
+
"entity1": 2,
|
| 47 |
+
"position1": 25,
|
| 48 |
+
"atom1": "SG",
|
| 49 |
+
"entity2": 2,
|
| 50 |
+
"position2": 99,
|
| 51 |
+
"atom2": "SG"
|
| 52 |
+
},
|
| 53 |
+
{
|
| 54 |
+
"entity1": 2,
|
| 55 |
+
"position1": 149,
|
| 56 |
+
"atom1": "SG",
|
| 57 |
+
"entity2": 2,
|
| 58 |
+
"position2": 205,
|
| 59 |
+
"atom2": "SG"
|
| 60 |
+
},
|
| 61 |
+
{
|
| 62 |
+
"entity1": 2,
|
| 63 |
+
"position1": 225,
|
| 64 |
+
"atom1": "SG",
|
| 65 |
+
"entity2": 3,
|
| 66 |
+
"position2": 222,
|
| 67 |
+
"atom2": "SG"
|
| 68 |
+
},
|
| 69 |
+
{
|
| 70 |
+
"entity1": 3,
|
| 71 |
+
"position1": 26,
|
| 72 |
+
"atom1": "SG",
|
| 73 |
+
"entity2": 3,
|
| 74 |
+
"position2": 96,
|
| 75 |
+
"atom2": "SG"
|
| 76 |
+
},
|
| 77 |
+
{
|
| 78 |
+
"entity1": 3,
|
| 79 |
+
"position1": 142,
|
| 80 |
+
"atom1": "SG",
|
| 81 |
+
"entity2": 3,
|
| 82 |
+
"position2": 202,
|
| 83 |
+
"atom2": "SG"
|
| 84 |
+
}
|
| 85 |
+
],
|
| 86 |
+
"name": "9fkd_H_L_B"
|
| 87 |
+
}
|
| 88 |
+
]
|
protenix_json/9g4g_B__A.json
ADDED
|
@@ -0,0 +1,51 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
[
|
| 2 |
+
{
|
| 3 |
+
"sequences": [
|
| 4 |
+
{
|
| 5 |
+
"proteinChain": {
|
| 6 |
+
"sequence": "MGSSHHHHHHSQDPIRRGDVYLADLSPVQGSEQGGVRPVVIIQNDTGNKYSPTVIVAAITGRINKAKIPTHVEIEKKKYKLDKDSVILLEQIRTLDKKRLKEKLTYLSDDKMKEVDNALMISLGLNAVAHQKN",
|
| 7 |
+
"count": 1,
|
| 8 |
+
"label_entity_id": "1",
|
| 9 |
+
"label_asym_id": [
|
| 10 |
+
"A"
|
| 11 |
+
],
|
| 12 |
+
"auth_asym_id": [
|
| 13 |
+
"A"
|
| 14 |
+
]
|
| 15 |
+
}
|
| 16 |
+
},
|
| 17 |
+
{
|
| 18 |
+
"proteinChain": {
|
| 19 |
+
"sequence": "QVQLQESGGGLVQPGGSLRLSCVVSGFTLDDYAIGWFRQAPGKEREGVSCISSSGDSTNYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCAADPFPGVCTYASSRIYEHDYWGQGTQVTVSSHHHHHH",
|
| 20 |
+
"count": 1,
|
| 21 |
+
"label_entity_id": "2",
|
| 22 |
+
"label_asym_id": [
|
| 23 |
+
"B"
|
| 24 |
+
],
|
| 25 |
+
"auth_asym_id": [
|
| 26 |
+
"B"
|
| 27 |
+
]
|
| 28 |
+
}
|
| 29 |
+
}
|
| 30 |
+
],
|
| 31 |
+
"covalent_bonds": [
|
| 32 |
+
{
|
| 33 |
+
"entity1": 2,
|
| 34 |
+
"position1": 22,
|
| 35 |
+
"atom1": "SG",
|
| 36 |
+
"entity2": 2,
|
| 37 |
+
"position2": 96,
|
| 38 |
+
"atom2": "SG"
|
| 39 |
+
},
|
| 40 |
+
{
|
| 41 |
+
"entity1": 2,
|
| 42 |
+
"position1": 50,
|
| 43 |
+
"atom1": "SG",
|
| 44 |
+
"entity2": 2,
|
| 45 |
+
"position2": 105,
|
| 46 |
+
"atom2": "SG"
|
| 47 |
+
}
|
| 48 |
+
],
|
| 49 |
+
"name": "9g4g_B__A"
|
| 50 |
+
}
|
| 51 |
+
]
|
protenix_json/9g7k_C__B.json
ADDED
|
@@ -0,0 +1,43 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
[
|
| 2 |
+
{
|
| 3 |
+
"sequences": [
|
| 4 |
+
{
|
| 5 |
+
"proteinChain": {
|
| 6 |
+
"sequence": "MGSSHHHHHHSQDPIRRGDVYLADLSPVQGSEQGGVRPVVIIQNDTGNKYSPTVIVAAITGRINKAKIPTHVEIEKKKYKLDKDSVILLEQIRTLDKKRLKEKLTYLSDDKMKEVDNALMISLGLNAVAHQKN",
|
| 7 |
+
"count": 1,
|
| 8 |
+
"label_entity_id": "1",
|
| 9 |
+
"label_asym_id": [
|
| 10 |
+
"B"
|
| 11 |
+
],
|
| 12 |
+
"auth_asym_id": [
|
| 13 |
+
"B"
|
| 14 |
+
]
|
| 15 |
+
}
|
| 16 |
+
},
|
| 17 |
+
{
|
| 18 |
+
"proteinChain": {
|
| 19 |
+
"sequence": "QVQLQESGGGLVQPGGSLRLSCAASGFTFSSYAMSWVRQAPGKGLEWVSDINSGGGSTYYADSVKGRFTISRDNAKNTLYLQMNSLKPEDTAVYYCAAKEGPYSGSYYYMPVFRDEYDYWGQGTQVTVSSHHHHHH",
|
| 20 |
+
"count": 1,
|
| 21 |
+
"label_entity_id": "2",
|
| 22 |
+
"label_asym_id": [
|
| 23 |
+
"C"
|
| 24 |
+
],
|
| 25 |
+
"auth_asym_id": [
|
| 26 |
+
"C"
|
| 27 |
+
]
|
| 28 |
+
}
|
| 29 |
+
}
|
| 30 |
+
],
|
| 31 |
+
"covalent_bonds": [
|
| 32 |
+
{
|
| 33 |
+
"entity1": 2,
|
| 34 |
+
"position1": 22,
|
| 35 |
+
"atom1": "SG",
|
| 36 |
+
"entity2": 2,
|
| 37 |
+
"position2": 96,
|
| 38 |
+
"atom2": "SG"
|
| 39 |
+
}
|
| 40 |
+
],
|
| 41 |
+
"name": "9g7k_C__B"
|
| 42 |
+
}
|
| 43 |
+
]
|