Add files using upload-large-folder tool
Browse files- 8e1m_H_L_C_sample_4_rmsd_backbone.json +59 -0
- 8q7s_F__D_sample_2_rmsd.json +39 -0
- 8qf5_G__H_sample_3_rmsd.json +39 -0
- 8qot_B__A_sample_0_rmsd.json +39 -0
- 8qz3_C__B_sample_1_rmsd.json +39 -0
- 8r4b_B__A_sample_0_rmsd_backbone.json +39 -0
- 8r4d_B__A_sample_1_rmsd.json +39 -0
- 8r80_H_L_R_sample_4_rmsd.json +59 -0
- 8r9z_H_L_A_sample_1_rmsd.json +59 -0
- 8rvn_H_L_F_sample_3_rmsd_backbone.json +59 -0
- 8s0l_B__A_sample_3_rmsd_backbone.json +39 -0
- 8s0n_B__A_sample_4_rmsd_backbone.json +39 -0
- 8sgj_H_L_A_sample_3_rmsd_backbone.json +59 -0
- 8smm_H_L_A_sample_3_rmsd_backbone.json +59 -0
- 8tco_E_D_AB_sample_2_rmsd_backbone.json +59 -0
- 8tco_E_D_AB_sample_3_rmsd.json +59 -0
- 8tfn_H_L_B_sample_1_rmsd_backbone.json +59 -0
- 8tq7_F_G_C_sample_0_rmsd.json +59 -0
- 8tvj_H_L_E_sample_0_rmsd.json +59 -0
- 8txm_H_L_AB_sample_2_rmsd.json +59 -0
- 8txt_H_L_EF_sample_3_rmsd.json +59 -0
- 8tzu_D__B_sample_4_rmsd_backbone.json +39 -0
- 8uky_H_L_C_sample_3_rmsd_backbone.json +59 -0
- 8ut2_H_G_AB_sample_1_rmsd.json +59 -0
- 8uwz_C_D_F_sample_0_rmsd.json +59 -0
- 8v7o_H_L_A_sample_1_rmsd.json +59 -0
- 8vul_H_L_A_sample_4_rmsd.json +59 -0
- 8vuy_H_L_A_sample_3_rmsd_backbone.json +59 -0
- 8vuy_H_L_A_sample_4_rmsd.json +59 -0
- 8vvh_H_L_A_sample_0_rmsd.json +59 -0
- 8w85_A_B_CD_sample_0_rmsd_backbone.json +59 -0
- 8w85_A_B_CD_sample_3_rmsd.json +59 -0
- 8w86_A_B_CD_sample_3_rmsd_backbone.json +59 -0
- 8wej_H_L_B_sample_4_rmsd.json +59 -0
- 8wej_H_L_B_sample_4_rmsd_backbone.json +59 -0
- 8wfm_A_a_B_sample_2_rmsd.json +59 -0
- 8wsn_E_F_A_sample_0_rmsd.json +59 -0
- 8xi6_D_E_A_sample_4_rmsd.json +59 -0
- 8xk2_B__A_sample_2_rmsd.json +39 -0
- 8xk2_B__A_sample_3_rmsd_backbone.json +39 -0
- 8xse_H_L_A_sample_4_rmsd.json +59 -0
- 8zc0_H_G_A_sample_1_rmsd_backbone.json +59 -0
- 8zc1_E_C_B_sample_3_rmsd_backbone.json +59 -0
- 8zc4_H_G_A_sample_4_rmsd_backbone.json +59 -0
- 9bu8_C_D_AB_sample_3_rmsd.json +59 -0
- 9eot_B__A_sample_2_rmsd_backbone.json +39 -0
- 9g1y_D__B_sample_0_rmsd_backbone.json +39 -0
- 9g1y_D__B_sample_4_rmsd.json +39 -0
- 9g4g_B__A_sample_4_rmsd.json +39 -0
- 9ima_C_D_AB_sample_3_rmsd_backbone.json +59 -0
8e1m_H_L_C_sample_4_rmsd_backbone.json
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{
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"entry": "8e1m_H_L_C_sample_4",
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"success": true,
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"error": null,
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"rmsd": {
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"total": 0.6694803237915039,
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"pred_coverage": 0.4789915966386555,
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"full_coverage": false
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"heavy_chain": {
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"chain_id": "H",
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"total": 0.8425840139389038,
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"cdr3": 0.5280298590660095,
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"cdr1_fw_aligned": 0.6430525183677673,
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"cdr2_fw_aligned": 1.9241927862167358,
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"cdr3_fw_aligned": 0.8376302123069763,
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"num_residues": 117,
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"num_cdr_residues": 21
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},
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"light_chain": {
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"chain_id": "L",
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"total": 0.496376633644104,
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"cdr": 0.48022395372390747,
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"framework": 0.4906967580318451,
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"cdr_fw_aligned": 0.5361654758453369,
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"cdr1": 0.5215307474136353,
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"cdr2": 0.3386242985725403,
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"cdr3": 0.25070834159851074,
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"cdr1_fw_aligned": 0.576948881149292,
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"cdr2_fw_aligned": 0.43478983640670776,
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"cdr3_fw_aligned": 0.5369876623153687,
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"num_residues": 111,
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"num_cdr_residues": 31
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"heavy_chain_atom_counts": {
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"num_pred_atoms": 952,
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"num_gt_atoms": 468,
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"num_aligned_atoms": 468
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"num_aligned_atoms": 444
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8q7s_F__D_sample_2_rmsd.json
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{
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"entry": "8q7s_F__D_sample_2",
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"success": true,
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"error": null,
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"rmsd": {
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"num_pred_atoms": 985,
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"num_gt_atoms": 966,
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"num_aligned_atoms": 966,
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"alignment_coverage": {
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"pred_coverage": 0.9807106598984772,
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"full_coverage": false
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"heavy_chain": {
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"chain_id": "F",
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"total": 2.07016658782959,
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"cdr": 3.313779592514038,
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"framework": 1.1584491729736328,
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"cdr_fw_aligned": 3.7334201335906982,
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"cdr1": 4.2592854499816895,
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"cdr2": 1.6581240892410278,
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"cdr3": 2.3814773559570312,
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"cdr1_fw_aligned": 5.637114524841309,
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"cdr2_fw_aligned": 1.89695405960083,
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"cdr3_fw_aligned": 3.1875455379486084,
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"num_residues": 128,
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"num_cdr_residues": 32
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"heavy_chain_atom_counts": {
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| 37 |
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}
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8qf5_G__H_sample_3_rmsd.json
ADDED
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{
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"entry": "8qf5_G__H_sample_3",
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"success": true,
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"error": null,
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"rmsd": {
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"num_pred_atoms": 894,
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"num_gt_atoms": 894,
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"num_aligned_atoms": 894,
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"alignment_coverage": {
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"pred_coverage": 1.0,
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"full_coverage": true
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| 18 |
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"heavy_chain": {
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8qot_B__A_sample_0_rmsd.json
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{
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"entry": "8qot_B__A_sample_0",
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"success": true,
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| 4 |
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"error": null,
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| 5 |
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"rmsd": {
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| 6 |
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| 7 |
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| 10 |
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| 18 |
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"heavy_chain": {
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| 21 |
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"cdr2": 0.8081785440444946,
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"num_residues": 125,
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| 32 |
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"num_cdr_residues": 27
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| 33 |
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| 34 |
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"heavy_chain_atom_counts": {
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| 35 |
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| 36 |
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| 37 |
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| 38 |
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}
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| 39 |
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}
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8qz3_C__B_sample_1_rmsd.json
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{
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"entry": "8qz3_C__B_sample_1",
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"success": true,
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| 4 |
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"error": null,
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| 5 |
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"rmsd": {
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| 6 |
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"total": 1.5946152210235596,
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| 7 |
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"cdr": 2.5203568935394287,
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| 8 |
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"framework": 1.1238077878952026,
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"cdr_fw_aligned": 2.560826301574707
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| 10 |
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},
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| 11 |
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"num_pred_atoms": 1053,
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| 12 |
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"num_gt_atoms": 963,
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| 13 |
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"num_aligned_atoms": 963,
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| 14 |
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"alignment_coverage": {
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| 15 |
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"pred_coverage": 0.9145299145299145,
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| 16 |
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"gt_coverage": 1.0,
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| 17 |
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"full_coverage": false
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| 18 |
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},
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| 19 |
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"heavy_chain": {
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| 20 |
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"chain_id": "C",
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| 21 |
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"total": 1.5946152210235596,
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| 22 |
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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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"cdr2_fw_aligned": 2.1691555976867676,
|
| 30 |
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"cdr3_fw_aligned": 1.5354108810424805,
|
| 31 |
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"num_residues": 127,
|
| 32 |
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"num_cdr_residues": 31
|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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"num_gt_atoms": 963,
|
| 37 |
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"num_aligned_atoms": 963
|
| 38 |
+
}
|
| 39 |
+
}
|
8r4b_B__A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
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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": "8r4b_B__A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.3586764335632324,
|
| 7 |
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"cdr": 3.315382480621338,
|
| 8 |
+
"framework": 1.3667702674865723,
|
| 9 |
+
"cdr_fw_aligned": 4.149970531463623
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 548,
|
| 12 |
+
"num_gt_atoms": 428,
|
| 13 |
+
"num_aligned_atoms": 428,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.781021897810219,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
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"total": 2.3586764335632324,
|
| 22 |
+
"cdr": 3.315382480621338,
|
| 23 |
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"framework": 1.3667702674865723,
|
| 24 |
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"cdr_fw_aligned": 4.149970531463623,
|
| 25 |
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"cdr1": 1.0651943683624268,
|
| 26 |
+
"cdr2": 1.3523613214492798,
|
| 27 |
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"cdr3": 1.8620061874389648,
|
| 28 |
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"cdr1_fw_aligned": 3.332519292831421,
|
| 29 |
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"cdr2_fw_aligned": 2.1533796787261963,
|
| 30 |
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"cdr3_fw_aligned": 5.011052131652832,
|
| 31 |
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"num_residues": 107,
|
| 32 |
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"num_cdr_residues": 28
|
| 33 |
+
},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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"num_pred_atoms": 548,
|
| 36 |
+
"num_gt_atoms": 428,
|
| 37 |
+
"num_aligned_atoms": 428
|
| 38 |
+
}
|
| 39 |
+
}
|
8r4d_B__A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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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": "8r4d_B__A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 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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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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"total": 3.144597291946411,
|
| 22 |
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"cdr": 4.237716197967529,
|
| 23 |
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"framework": 2.287553310394287,
|
| 24 |
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"cdr_fw_aligned": 5.171286106109619,
|
| 25 |
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"cdr1": 1.687896490097046,
|
| 26 |
+
"cdr2": 3.6612226963043213,
|
| 27 |
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"cdr3": 2.6735260486602783,
|
| 28 |
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"cdr1_fw_aligned": 3.910360336303711,
|
| 29 |
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"cdr2_fw_aligned": 6.7875285148620605,
|
| 30 |
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"cdr3_fw_aligned": 4.74893856048584,
|
| 31 |
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|
| 32 |
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"num_cdr_residues": 28
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 1071,
|
| 36 |
+
"num_gt_atoms": 769,
|
| 37 |
+
"num_aligned_atoms": 769
|
| 38 |
+
}
|
| 39 |
+
}
|
8r80_H_L_R_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
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|
|
|
|
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|
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|
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|
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|
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|
|
|
|
|
|
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|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
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|
|
|
|
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|
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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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"entry": "8r80_H_L_R_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
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| 6 |
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"total": 1.367651104927063,
|
| 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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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 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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"cdr3": 4.15087366104126,
|
| 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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"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 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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"cdr2": 0.9242472648620605,
|
| 42 |
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"cdr3": 1.2411288022994995,
|
| 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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"num_aligned_atoms": 1653
|
| 58 |
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}
|
| 59 |
+
}
|
8r9z_H_L_A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
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|
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|
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|
|
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|
|
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|
|
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|
|
|
|
|
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|
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|
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|
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|
|
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|
|
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|
|
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|
|
|
|
|
|
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|
|
|
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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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"entry": "8r9z_H_L_A_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.007706880569458,
|
| 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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"num_aligned_atoms": 3271,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 1.0,
|
| 16 |
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|
| 17 |
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"full_coverage": true
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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"total": 2.1854677200317383,
|
| 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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"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 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 |
+
}
|
| 59 |
+
}
|
8rvn_H_L_F_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
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|
|
|
|
|
|
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|
|
|
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|
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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": "8rvn_H_L_F_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.7503902912139893,
|
| 7 |
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"cdr": 2.0169671177864075,
|
| 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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"pred_coverage": 0.5115740740740741,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
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"total": 1.5783127546310425,
|
| 22 |
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"cdr": 2.7123801708221436,
|
| 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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"cdr2_fw_aligned": 1.3305187225341797,
|
| 30 |
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"cdr3_fw_aligned": 4.207491874694824,
|
| 31 |
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|
| 32 |
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|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 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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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 468
|
| 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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"num_aligned_atoms": 416
|
| 58 |
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}
|
| 59 |
+
}
|
8s0l_B__A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
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|
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|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8s0l_B__A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.3713937997817993,
|
| 7 |
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"cdr": 2.1883480548858643,
|
| 8 |
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"framework": 0.6236084699630737,
|
| 9 |
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"cdr_fw_aligned": 2.7086451053619385
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 600,
|
| 12 |
+
"num_gt_atoms": 520,
|
| 13 |
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"num_aligned_atoms": 520,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
+
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|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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"total": 1.3713937997817993,
|
| 22 |
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"cdr": 2.1883480548858643,
|
| 23 |
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"framework": 0.6236084699630737,
|
| 24 |
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"cdr_fw_aligned": 2.7086451053619385,
|
| 25 |
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"cdr1": 0.4706481695175171,
|
| 26 |
+
"cdr2": 0.24918091297149658,
|
| 27 |
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"cdr3": 2.598639965057373,
|
| 28 |
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"cdr1_fw_aligned": 0.9591505527496338,
|
| 29 |
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"cdr2_fw_aligned": 0.5406997799873352,
|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 32
|
| 33 |
+
},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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"num_pred_atoms": 600,
|
| 36 |
+
"num_gt_atoms": 520,
|
| 37 |
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"num_aligned_atoms": 520
|
| 38 |
+
}
|
| 39 |
+
}
|
8s0n_B__A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8s0n_B__A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 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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"num_pred_atoms": 600,
|
| 12 |
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"num_gt_atoms": 520,
|
| 13 |
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"num_aligned_atoms": 520,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.8666666666666667,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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"total": 1.1780580282211304,
|
| 22 |
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"cdr": 1.9538772106170654,
|
| 23 |
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"framework": 0.6076390147209167,
|
| 24 |
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"cdr_fw_aligned": 2.234808921813965,
|
| 25 |
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"cdr1": 0.49173739552497864,
|
| 26 |
+
"cdr2": 0.1699199229478836,
|
| 27 |
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"cdr3": 2.2085916996002197,
|
| 28 |
+
"cdr1_fw_aligned": 1.1143704652786255,
|
| 29 |
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"cdr2_fw_aligned": 0.3622457981109619,
|
| 30 |
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"cdr3_fw_aligned": 2.8129360675811768,
|
| 31 |
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"num_residues": 130,
|
| 32 |
+
"num_cdr_residues": 32
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 600,
|
| 36 |
+
"num_gt_atoms": 520,
|
| 37 |
+
"num_aligned_atoms": 520
|
| 38 |
+
}
|
| 39 |
+
}
|
8sgj_H_L_A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
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|
|
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|
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|
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|
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|
|
|
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|
|
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|
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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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"entry": "8sgj_H_L_A_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 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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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 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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"cdr1_fw_aligned": 0.5821810960769653,
|
| 29 |
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|
| 30 |
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|
| 31 |
+
"num_residues": 121,
|
| 32 |
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"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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"total": 0.5637614130973816,
|
| 37 |
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"cdr": 0.5411993861198425,
|
| 38 |
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"framework": 0.5427438616752625,
|
| 39 |
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"cdr_fw_aligned": 0.657723605632782,
|
| 40 |
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|
| 41 |
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"cdr2": 0.45769569277763367,
|
| 42 |
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"cdr3": 0.5807070136070251,
|
| 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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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 484
|
| 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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"num_aligned_atoms": 440
|
| 58 |
+
}
|
| 59 |
+
}
|
8smm_H_L_A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
|
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|
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|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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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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{
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| 2 |
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"entry": "8smm_H_L_A_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
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| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.4953414797782898,
|
| 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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"num_aligned_atoms": 920,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.512249443207127,
|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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"total": 1.672420620918274,
|
| 22 |
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"cdr": 2.960397243499756,
|
| 23 |
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"framework": 0.6606132388114929,
|
| 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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"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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"total": 1.3182623386383057,
|
| 37 |
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|
| 38 |
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"framework": 0.8625410795211792,
|
| 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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"num_aligned_atoms": 424
|
| 58 |
+
}
|
| 59 |
+
}
|
8tco_E_D_AB_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
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|
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|
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|
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|
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|
|
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|
|
|
|
|
|
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|
|
|
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|
|
|
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|
|
|
|
|
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|
|
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|
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|
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|
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|
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|
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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": "8tco_E_D_AB_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.0597608387470245,
|
| 7 |
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"cdr": 1.5866426229476929,
|
| 8 |
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"framework": 0.7504955232143402,
|
| 9 |
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"cdr_fw_aligned": 1.7195838689804077
|
| 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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|
| 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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"chain_id": "D",
|
| 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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"num_aligned_atoms": 432
|
| 58 |
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}
|
| 59 |
+
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|
8tco_E_D_AB_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
|
|
|
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|
|
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|
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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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"entry": "8tco_E_D_AB_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 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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"full_coverage": false
|
| 18 |
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|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "E",
|
| 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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|
8tfn_H_L_B_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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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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"entry": "8tfn_H_L_B_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 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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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 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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"num_aligned_atoms": 796
|
| 58 |
+
}
|
| 59 |
+
}
|
8tq7_F_G_C_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
|
|
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|
|
|
|
|
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|
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|
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|
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|
|
|
|
|
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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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"entry": "8tq7_F_G_C_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 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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"alignment_coverage": {
|
| 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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"heavy_chain": {
|
| 20 |
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"chain_id": "F",
|
| 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 |
+
}
|
8tvj_H_L_E_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
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|
|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
|
|
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|
|
|
|
|
|
|
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|
|
|
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|
|
|
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|
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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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"entry": "8tvj_H_L_E_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 5.282179832458496,
|
| 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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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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"total": 5.504599571228027,
|
| 22 |
+
"cdr": 3.2066211700439453,
|
| 23 |
+
"framework": 5.292356967926025,
|
| 24 |
+
"cdr_fw_aligned": 7.215288162231445,
|
| 25 |
+
"cdr1": 1.011623740196228,
|
| 26 |
+
"cdr2": 0.8102307915687561,
|
| 27 |
+
"cdr3": 3.5395846366882324,
|
| 28 |
+
"cdr1_fw_aligned": 9.207572937011719,
|
| 29 |
+
"cdr2_fw_aligned": 7.872523784637451,
|
| 30 |
+
"cdr3_fw_aligned": 5.932751655578613,
|
| 31 |
+
"num_residues": 223,
|
| 32 |
+
"num_cdr_residues": 30
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 5.059760093688965,
|
| 37 |
+
"cdr": 1.3624244928359985,
|
| 38 |
+
"framework": 4.68674898147583,
|
| 39 |
+
"cdr_fw_aligned": 8.388834953308105,
|
| 40 |
+
"cdr1": 1.2879425287246704,
|
| 41 |
+
"cdr2": 0.9411565065383911,
|
| 42 |
+
"cdr3": 1.4182767868041992,
|
| 43 |
+
"cdr1_fw_aligned": 9.431632995605469,
|
| 44 |
+
"cdr2_fw_aligned": 7.3376030921936035,
|
| 45 |
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"cdr3_fw_aligned": 7.961081027984619,
|
| 46 |
+
"num_residues": 213,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 1716,
|
| 51 |
+
"num_gt_atoms": 1695,
|
| 52 |
+
"num_aligned_atoms": 1695
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 1636,
|
| 56 |
+
"num_gt_atoms": 1636,
|
| 57 |
+
"num_aligned_atoms": 1636
|
| 58 |
+
}
|
| 59 |
+
}
|
8txm_H_L_AB_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
|
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|
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|
|
|
|
|
|
|
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|
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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": "8txm_H_L_AB_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
+
"total": 2.483689069747925,
|
| 7 |
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"cdr": 2.4566962718963623,
|
| 8 |
+
"framework": 2.1817184686660767,
|
| 9 |
+
"cdr_fw_aligned": 4.439343094825745
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 3306,
|
| 12 |
+
"num_gt_atoms": 3306,
|
| 13 |
+
"num_aligned_atoms": 3306,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 1.0,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 2.554069757461548,
|
| 22 |
+
"cdr": 3.6969542503356934,
|
| 23 |
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"framework": 2.1431026458740234,
|
| 24 |
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"cdr_fw_aligned": 5.00015926361084,
|
| 25 |
+
"cdr1": 3.799687147140503,
|
| 26 |
+
"cdr2": 0.9725709557533264,
|
| 27 |
+
"cdr3": 3.2796051502227783,
|
| 28 |
+
"cdr1_fw_aligned": 6.485953330993652,
|
| 29 |
+
"cdr2_fw_aligned": 1.925565481185913,
|
| 30 |
+
"cdr3_fw_aligned": 4.989985466003418,
|
| 31 |
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"num_residues": 226,
|
| 32 |
+
"num_cdr_residues": 27
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
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"total": 2.4133083820343018,
|
| 37 |
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"cdr": 1.2164382934570312,
|
| 38 |
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"framework": 2.22033429145813,
|
| 39 |
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"cdr_fw_aligned": 3.8785269260406494,
|
| 40 |
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"cdr1": 1.1304055452346802,
|
| 41 |
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"cdr2": 0.8755817413330078,
|
| 42 |
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"cdr3": 1.317670226097107,
|
| 43 |
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"cdr1_fw_aligned": 4.55634880065918,
|
| 44 |
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"cdr2_fw_aligned": 3.0950076580047607,
|
| 45 |
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"cdr3_fw_aligned": 3.5102007389068604,
|
| 46 |
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"num_residues": 214,
|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
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},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 1664,
|
| 51 |
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"num_gt_atoms": 1664,
|
| 52 |
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"num_aligned_atoms": 1664
|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 1642,
|
| 57 |
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"num_aligned_atoms": 1642
|
| 58 |
+
}
|
| 59 |
+
}
|
8txt_H_L_EF_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8txt_H_L_EF_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
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"total": 3.6179362535476685,
|
| 7 |
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"cdr": 2.4716036915779114,
|
| 8 |
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"framework": 3.3224964141845703,
|
| 9 |
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"cdr_fw_aligned": 5.766016960144043
|
| 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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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9936325045482111,
|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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"total": 3.866731882095337,
|
| 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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"cdr2_fw_aligned": 7.8746867179870605,
|
| 30 |
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|
| 31 |
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"num_residues": 223,
|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 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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"cdr1_fw_aligned": 6.234384059906006,
|
| 44 |
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"cdr2_fw_aligned": 4.469757556915283,
|
| 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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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 1643
|
| 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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"num_aligned_atoms": 1634
|
| 58 |
+
}
|
| 59 |
+
}
|
8tzu_D__B_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tzu_D__B_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
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"total": 1.4666378498077393,
|
| 7 |
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"cdr": 2.6032867431640625,
|
| 8 |
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"framework": 0.5989543795585632,
|
| 9 |
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"cdr_fw_aligned": 2.9564568996429443
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 512,
|
| 12 |
+
"num_gt_atoms": 508,
|
| 13 |
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"num_aligned_atoms": 508,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9921875,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "D",
|
| 21 |
+
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|
| 22 |
+
"cdr": 2.6032867431640625,
|
| 23 |
+
"framework": 0.5989543795585632,
|
| 24 |
+
"cdr_fw_aligned": 2.9564568996429443,
|
| 25 |
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"cdr1": 1.423025369644165,
|
| 26 |
+
"cdr2": 0.28385400772094727,
|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 1.744877576828003,
|
| 29 |
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"cdr2_fw_aligned": 0.8288523554801941,
|
| 30 |
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"cdr3_fw_aligned": 3.73209810256958,
|
| 31 |
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|
| 32 |
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"num_cdr_residues": 30
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
+
"num_gt_atoms": 508,
|
| 37 |
+
"num_aligned_atoms": 508
|
| 38 |
+
}
|
| 39 |
+
}
|
8uky_H_L_C_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
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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": "8uky_H_L_C_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 2.742467761039734,
|
| 7 |
+
"cdr": 0.6852762848138809,
|
| 8 |
+
"framework": 2.5919013023376465,
|
| 9 |
+
"cdr_fw_aligned": 4.208814382553101
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1728,
|
| 12 |
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"num_gt_atoms": 1704,
|
| 13 |
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"num_aligned_atoms": 1704,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9861111111111112,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 3.017796277999878,
|
| 22 |
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"cdr": 0.46485790610313416,
|
| 23 |
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"framework": 2.9108352661132812,
|
| 24 |
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"cdr_fw_aligned": 4.2067036628723145,
|
| 25 |
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"cdr1": 0.30495303869247437,
|
| 26 |
+
"cdr2": 0.20416496694087982,
|
| 27 |
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"cdr3": 0.33837297558784485,
|
| 28 |
+
"cdr1_fw_aligned": 5.027339935302734,
|
| 29 |
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"cdr2_fw_aligned": 4.813433647155762,
|
| 30 |
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"cdr3_fw_aligned": 2.8555052280426025,
|
| 31 |
+
"num_residues": 214,
|
| 32 |
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"num_cdr_residues": 22
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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"total": 2.46713924407959,
|
| 37 |
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"cdr": 0.9056946635246277,
|
| 38 |
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"framework": 2.2729673385620117,
|
| 39 |
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"cdr_fw_aligned": 4.210925102233887,
|
| 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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"cdr3_fw_aligned": 4.2026238441467285,
|
| 46 |
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"num_residues": 212,
|
| 47 |
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"num_cdr_residues": 26
|
| 48 |
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},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 876,
|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 856
|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 848,
|
| 57 |
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"num_aligned_atoms": 848
|
| 58 |
+
}
|
| 59 |
+
}
|
8ut2_H_G_AB_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
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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": "8ut2_H_G_AB_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.5742799043655396,
|
| 7 |
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|
| 8 |
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"framework": 1.05181884765625,
|
| 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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"pred_coverage": 0.3235240690281562,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
+
"total": 1.8598296642303467,
|
| 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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"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
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|
| 35 |
+
"chain_id": "G",
|
| 36 |
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"total": 1.2887301445007324,
|
| 37 |
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|
| 38 |
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"framework": 1.2236253023147583,
|
| 39 |
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|
| 40 |
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|
| 41 |
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"cdr2": 0.6151638627052307,
|
| 42 |
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"cdr3": 1.7857389450073242,
|
| 43 |
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|
| 44 |
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"cdr2_fw_aligned": 0.6937013864517212,
|
| 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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"num_aligned_atoms": 828
|
| 58 |
+
}
|
| 59 |
+
}
|
8uwz_C_D_F_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
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|
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|
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|
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|
|
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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": "8uwz_C_D_F_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.5741284489631653,
|
| 7 |
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"cdr": 2.3222506046295166,
|
| 8 |
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"framework": 1.3306105732917786,
|
| 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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"pred_coverage": 0.8970414201183432,
|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "C",
|
| 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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"chain_id": "D",
|
| 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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"num_aligned_atoms": 1456
|
| 58 |
+
}
|
| 59 |
+
}
|
8v7o_H_L_A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
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|
|
|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
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|
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|
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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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"entry": "8v7o_H_L_A_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 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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"full_coverage": false
|
| 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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"heavy_chain_atom_counts": {
|
| 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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"num_aligned_atoms": 785
|
| 58 |
+
}
|
| 59 |
+
}
|
8vul_H_L_A_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
|
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|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
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|
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|
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|
|
|
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|
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|
|
|
|
|
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|
|
|
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|
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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": "8vul_H_L_A_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 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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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 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 |
+
"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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"total": 1.4245702028274536,
|
| 37 |
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|
| 38 |
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"framework": 1.3254563808441162,
|
| 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 |
+
"cdr2_fw_aligned": 1.8551944494247437,
|
| 45 |
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|
| 46 |
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|
| 47 |
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"num_cdr_residues": 29
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 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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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 799,
|
| 57 |
+
"num_aligned_atoms": 799
|
| 58 |
+
}
|
| 59 |
+
}
|
8vuy_H_L_A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
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|
| 1 |
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{
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| 2 |
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| 3 |
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| 4 |
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| 13 |
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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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| 25 |
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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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| 48 |
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| 57 |
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| 58 |
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|
| 59 |
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|
8vuy_H_L_A_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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|
| 1 |
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{
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| 2 |
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"entry": "8vuy_H_L_A_sample_4",
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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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| 10 |
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| 12 |
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| 13 |
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| 14 |
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| 15 |
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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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| 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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| 48 |
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| 49 |
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| 51 |
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| 53 |
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| 54 |
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| 55 |
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| 57 |
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|
| 58 |
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|
| 59 |
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|
8vvh_H_L_A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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|
|
|
|
|
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|
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|
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|
| 1 |
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{
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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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|
| 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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| 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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| 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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|
| 59 |
+
}
|
8w85_A_B_CD_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
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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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"success": true,
|
| 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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|
| 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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|
| 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 |
+
}
|
8w85_A_B_CD_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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|
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|
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| 1 |
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{
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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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| 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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| 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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| 45 |
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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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| 53 |
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| 54 |
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| 55 |
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| 57 |
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| 58 |
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|
| 59 |
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|
8w86_A_B_CD_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
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|
| 1 |
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{
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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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| 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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| 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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| 40 |
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| 42 |
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| 44 |
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| 48 |
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| 49 |
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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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|
8wej_H_L_B_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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|
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|
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|
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|
|
| 1 |
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{
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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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| 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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| 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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| 44 |
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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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}
|
| 59 |
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}
|
8wej_H_L_B_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
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|
|
|
|
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|
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|
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|
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|
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|
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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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{
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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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| 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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| 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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|
| 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 |
+
}
|
8wfm_A_a_B_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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|
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|
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|
|
| 1 |
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{
|
| 2 |
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"entry": "8wfm_A_a_B_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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|
| 5 |
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| 6 |
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"total": 1.3617032766342163,
|
| 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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| 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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|
8wsn_E_F_A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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|
|
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|
| 1 |
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{
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| 2 |
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"entry": "8wsn_E_F_A_sample_0",
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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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| 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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"full_coverage": false
|
| 18 |
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| 19 |
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"heavy_chain": {
|
| 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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|
8xi6_D_E_A_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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|
|
|
|
|
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|
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|
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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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"entry": "8xi6_D_E_A_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 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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|
| 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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| 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 |
+
}
|
8xk2_B__A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
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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": "8xk2_B__A_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 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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"chain_id": "B",
|
| 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 |
+
}
|
8xk2_B__A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
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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 |
+
"entry": "8xk2_B__A_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 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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"num_aligned_atoms": 484,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 1.0,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
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"total": 1.8153023719787598,
|
| 22 |
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"cdr": 2.960566520690918,
|
| 23 |
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"framework": 0.8413113951683044,
|
| 24 |
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"cdr_fw_aligned": 3.7953438758850098,
|
| 25 |
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"cdr1": 2.2637691497802734,
|
| 26 |
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"cdr2": 0.9758414030075073,
|
| 27 |
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"cdr3": 3.05743408203125,
|
| 28 |
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"cdr1_fw_aligned": 3.516084909439087,
|
| 29 |
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"cdr2_fw_aligned": 1.8811535835266113,
|
| 30 |
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"cdr3_fw_aligned": 4.585702419281006,
|
| 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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"num_gt_atoms": 484,
|
| 37 |
+
"num_aligned_atoms": 484
|
| 38 |
+
}
|
| 39 |
+
}
|
8xse_H_L_A_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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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": "8xse_H_L_A_sample_4",
|
| 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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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 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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"cdr2_fw_aligned": 7.577691078186035,
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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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"cdr1_fw_aligned": 7.084837913513184,
|
| 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 |
+
}
|
8zc0_H_G_A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8zc0_H_G_A_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 3.222338557243347,
|
| 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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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 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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"light_chain": {
|
| 35 |
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"chain_id": "G",
|
| 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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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 852
|
| 58 |
+
}
|
| 59 |
+
}
|
8zc1_E_C_B_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8zc1_E_C_B_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 3.2458235025405884,
|
| 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 |
+
"num_aligned_atoms": 1736,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9580573951434879,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "E",
|
| 21 |
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"total": 2.4556386470794678,
|
| 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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"cdr1_fw_aligned": 2.4886131286621094,
|
| 29 |
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"cdr2_fw_aligned": 3.1899759769439697,
|
| 30 |
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|
| 31 |
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"num_residues": 221,
|
| 32 |
+
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|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "C",
|
| 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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"cdr3": 0.3906300365924835,
|
| 43 |
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"cdr1_fw_aligned": 5.381706714630127,
|
| 44 |
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"cdr2_fw_aligned": 4.763627052307129,
|
| 45 |
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|
| 46 |
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"num_residues": 213,
|
| 47 |
+
"num_cdr_residues": 31
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 884
|
| 53 |
+
},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
+
"num_gt_atoms": 852,
|
| 57 |
+
"num_aligned_atoms": 852
|
| 58 |
+
}
|
| 59 |
+
}
|
8zc4_H_G_A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
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|
|
|
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|
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|
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|
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|
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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": "8zc4_H_G_A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 4.22913670539856,
|
| 7 |
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"cdr": 2.0489489436149597,
|
| 8 |
+
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|
| 9 |
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|
| 10 |
+
},
|
| 11 |
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|
| 12 |
+
"num_gt_atoms": 1736,
|
| 13 |
+
"num_aligned_atoms": 1736,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9580573951434879,
|
| 16 |
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|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 3.2002992630004883,
|
| 22 |
+
"cdr": 2.7039501667022705,
|
| 23 |
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"framework": 3.070657968521118,
|
| 24 |
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"cdr_fw_aligned": 4.554922580718994,
|
| 25 |
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"cdr1": 0.7105096578598022,
|
| 26 |
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"cdr2": 1.2569156885147095,
|
| 27 |
+
"cdr3": 2.5534017086029053,
|
| 28 |
+
"cdr1_fw_aligned": 3.9892776012420654,
|
| 29 |
+
"cdr2_fw_aligned": 3.75250506401062,
|
| 30 |
+
"cdr3_fw_aligned": 4.984801292419434,
|
| 31 |
+
"num_residues": 221,
|
| 32 |
+
"num_cdr_residues": 31
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "G",
|
| 36 |
+
"total": 5.257974147796631,
|
| 37 |
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"cdr": 1.393947720527649,
|
| 38 |
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"framework": 5.157469749450684,
|
| 39 |
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"cdr_fw_aligned": 6.596790790557861,
|
| 40 |
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"cdr1": 1.4806734323501587,
|
| 41 |
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|
| 42 |
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"cdr3": 0.624566376209259,
|
| 43 |
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"cdr1_fw_aligned": 7.1149420738220215,
|
| 44 |
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"cdr2_fw_aligned": 6.2813262939453125,
|
| 45 |
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"cdr3_fw_aligned": 6.140570640563965,
|
| 46 |
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"num_residues": 213,
|
| 47 |
+
"num_cdr_residues": 31
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 920,
|
| 51 |
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"num_gt_atoms": 884,
|
| 52 |
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"num_aligned_atoms": 884
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 852,
|
| 57 |
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"num_aligned_atoms": 852
|
| 58 |
+
}
|
| 59 |
+
}
|
9bu8_C_D_AB_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
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|
|
| 1 |
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{
|
| 2 |
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"entry": "9bu8_C_D_AB_sample_3",
|
| 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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"full_coverage": true
|
| 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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"chain_id": "D",
|
| 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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"heavy_chain_atom_counts": {
|
| 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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|
9eot_B__A_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
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|
|
|
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|
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|
|
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|
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|
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|
|
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|
|
|
|
|
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|
|
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|
|
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|
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|
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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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"entry": "9eot_B__A_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 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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"num_gt_atoms": 492,
|
| 13 |
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"num_aligned_atoms": 492,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 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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"cdr2": 0.2370753437280655,
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| 27 |
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|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 0.5259847044944763,
|
| 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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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
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"num_gt_atoms": 492,
|
| 37 |
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"num_aligned_atoms": 492
|
| 38 |
+
}
|
| 39 |
+
}
|
9g1y_D__B_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "9g1y_D__B_sample_0",
|
| 3 |
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"success": true,
|
| 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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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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"chain_id": "D",
|
| 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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"num_cdr_residues": 35
|
| 33 |
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},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
+
"num_gt_atoms": 534,
|
| 37 |
+
"num_aligned_atoms": 534
|
| 38 |
+
}
|
| 39 |
+
}
|
9g1y_D__B_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
+
"entry": "9g1y_D__B_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 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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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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"chain_id": "D",
|
| 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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"cdr1_fw_aligned": 1.2982828617095947,
|
| 29 |
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|
| 30 |
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"cdr3_fw_aligned": 4.795783519744873,
|
| 31 |
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"num_residues": 134,
|
| 32 |
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"num_cdr_residues": 35
|
| 33 |
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},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
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"num_gt_atoms": 972,
|
| 37 |
+
"num_aligned_atoms": 972
|
| 38 |
+
}
|
| 39 |
+
}
|
9g4g_B__A_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "9g4g_B__A_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 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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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 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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"cdr2": 0.7841266989707947,
|
| 27 |
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"cdr3": 4.184096813201904,
|
| 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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"num_aligned_atoms": 953
|
| 38 |
+
}
|
| 39 |
+
}
|
9ima_C_D_AB_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
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|
|
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|
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|
|
|
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|
|
|
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|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
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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": "9ima_C_D_AB_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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"total": 3.2202680110931396,
|
| 7 |
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"cdr": 0.7229172736406326,
|
| 8 |
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"framework": 3.074813485145569,
|
| 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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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "C",
|
| 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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"cdr1_fw_aligned": 6.5430378913879395,
|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 22
|
| 33 |
+
},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "D",
|
| 36 |
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"total": 2.757129430770874,
|
| 37 |
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|
| 38 |
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"framework": 2.6136183738708496,
|
| 39 |
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"cdr_fw_aligned": 4.232363224029541,
|
| 40 |
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"cdr1": 0.2018241137266159,
|
| 41 |
+
"cdr2": 0.35913529992103577,
|
| 42 |
+
"cdr3": 0.34347009658813477,
|
| 43 |
+
"cdr1_fw_aligned": 5.010194301605225,
|
| 44 |
+
"cdr2_fw_aligned": 4.068748474121094,
|
| 45 |
+
"cdr3_fw_aligned": 3.191030263900757,
|
| 46 |
+
"num_residues": 214,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 932,
|
| 51 |
+
"num_gt_atoms": 884,
|
| 52 |
+
"num_aligned_atoms": 884
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 856,
|
| 56 |
+
"num_gt_atoms": 856,
|
| 57 |
+
"num_aligned_atoms": 856
|
| 58 |
+
}
|
| 59 |
+
}
|