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- 8e1m_H_L_C_sample_2_rmsd.json +59 -0
- 8e1m_H_L_C_sample_3_rmsd.json +59 -0
- 8e1m_H_L_C_sample_4_rmsd_backbone.json +59 -0
- 8q94_C__A_sample_1_rmsd_backbone.json +39 -0
- 8qf5_G__H_sample_2_rmsd_backbone.json +39 -0
- 8qz1_C__B_sample_3_rmsd_backbone.json +39 -0
- 8qz6_B__A_sample_4_rmsd.json +39 -0
- 8qz6_B__A_sample_4_rmsd_backbone.json +39 -0
- 8qz7_B__A_sample_1_rmsd_backbone.json +39 -0
- 8r1c_H_L_A_sample_3_rmsd_backbone.json +59 -0
- 8r40_A_a_C_sample_1_rmsd_backbone.json +59 -0
- 8r9y_H_L_A_sample_1_rmsd_backbone.json +59 -0
- 8r9z_H_L_A_sample_1_rmsd_backbone.json +59 -0
- 8rz1_A_a_B_sample_0_rmsd_backbone.json +59 -0
- 8s0l_B__A_sample_0_rmsd.json +39 -0
- 8s0l_B__A_sample_1_rmsd.json +39 -0
- 8s5w_B__A_sample_2_rmsd.json +39 -0
- 8s5w_B__A_sample_3_rmsd.json +39 -0
- 8scx_H_L_C_sample_0_rmsd.json +59 -0
- 8scx_H_L_C_sample_2_rmsd_backbone.json +59 -0
- 8sdg_G_I_C_sample_4_rmsd.json +59 -0
- 8sfx_D__B_sample_0_rmsd.json +39 -0
- 8sfx_D__B_sample_1_rmsd.json +39 -0
- 8sgj_H_L_A_sample_4_rmsd.json +59 -0
- 8sgt_H_L_A_sample_0_rmsd_backbone.json +59 -0
- 8smn_H_L_A_sample_3_rmsd_backbone.json +59 -0
- 8sxp_H_L_C_sample_4_rmsd_backbone.json +59 -0
- 8t03_C_D_A_sample_3_rmsd_backbone.json +59 -0
- 8t03_C_D_A_sample_4_rmsd_backbone.json +59 -0
- 8t9b_C_G_L_sample_0_rmsd_backbone.json +59 -0
- 8t9b_C_G_L_sample_1_rmsd.json +59 -0
- 8tco_E_D_AB_sample_0_rmsd_backbone.json +59 -0
- 8tfh_H_L_B_sample_0_rmsd_backbone.json +59 -0
- 8tkc_G_H_AB_sample_2_rmsd.json +59 -0
- 8tkc_G_H_AB_sample_3_rmsd.json +59 -0
- 8tnj_E_F_A_sample_0_rmsd.json +59 -0
- 8tnj_E_F_A_sample_1_rmsd.json +59 -0
- 8too_B_A_I_sample_0_rmsd.json +59 -0
- 8too_B_A_I_sample_1_rmsd_backbone.json +59 -0
- 8tp7_D_F_A_sample_0_rmsd.json +59 -0
- 8tp7_D_F_A_sample_1_rmsd.json +59 -0
- 8tp7_D_F_A_sample_2_rmsd_backbone.json +59 -0
- 8tq7_F_G_C_sample_4_rmsd_backbone.json +59 -0
- 8tq9_H_L_AB_sample_0_rmsd.json +59 -0
- 8tq9_H_L_AB_sample_1_rmsd.json +59 -0
- 8u1c_H_L_A_sample_0_rmsd_backbone.json +59 -0
- 8u1c_H_L_A_sample_4_rmsd.json +59 -0
- 8u5l_J_j_A_sample_2_rmsd_backbone.json +59 -0
- 8udz_C_D_B_sample_3_rmsd_backbone.json +59 -0
- 8udz_C_D_B_sample_4_rmsd.json +59 -0
8e1m_H_L_C_sample_2_rmsd.json
ADDED
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{
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"entry": "8e1m_H_L_C_sample_2",
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"light_chain": {
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"chain_id": "L",
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"total": 1.0445539951324463,
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"cdr": 0.6316484808921814,
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"framework": 1.1210675239562988,
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8e1m_H_L_C_sample_3_rmsd.json
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{
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"entry": "8e1m_H_L_C_sample_3",
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| 13 |
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| 14 |
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"heavy_chain": {
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| 58 |
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| 59 |
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}
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8e1m_H_L_C_sample_4_rmsd_backbone.json
ADDED
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{
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"entry": "8e1m_H_L_C_sample_4",
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| 3 |
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| 4 |
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"error": null,
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| 5 |
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| 58 |
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}
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| 59 |
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}
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8q94_C__A_sample_1_rmsd_backbone.json
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{
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"entry": "8q94_C__A_sample_1",
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| 3 |
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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": 1.8157310485839844,
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| 7 |
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"cdr": 3.015162467956543,
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| 8 |
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"framework": 0.8138856291770935,
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| 9 |
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| 10 |
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},
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"num_pred_atoms": 528,
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| 12 |
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"num_gt_atoms": 508,
|
| 13 |
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"num_aligned_atoms": 508,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9621212121212122,
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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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},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
+
"total": 1.8157310485839844,
|
| 22 |
+
"cdr": 3.015162467956543,
|
| 23 |
+
"framework": 0.8138856291770935,
|
| 24 |
+
"cdr_fw_aligned": 3.424408435821533,
|
| 25 |
+
"cdr1": 1.9448052644729614,
|
| 26 |
+
"cdr2": 1.3435126543045044,
|
| 27 |
+
"cdr3": 2.6544811725616455,
|
| 28 |
+
"cdr1_fw_aligned": 4.1071906089782715,
|
| 29 |
+
"cdr2_fw_aligned": 2.365741491317749,
|
| 30 |
+
"cdr3_fw_aligned": 3.4304122924804688,
|
| 31 |
+
"num_residues": 127,
|
| 32 |
+
"num_cdr_residues": 32
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 528,
|
| 36 |
+
"num_gt_atoms": 508,
|
| 37 |
+
"num_aligned_atoms": 508
|
| 38 |
+
}
|
| 39 |
+
}
|
8qf5_G__H_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qf5_G__H_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 2.374344825744629,
|
| 7 |
+
"cdr": 3.6091525554656982,
|
| 8 |
+
"framework": 1.506879448890686,
|
| 9 |
+
"cdr_fw_aligned": 5.066780090332031
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 480,
|
| 12 |
+
"num_gt_atoms": 480,
|
| 13 |
+
"num_aligned_atoms": 480,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 1.0,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "G",
|
| 21 |
+
"total": 2.374344825744629,
|
| 22 |
+
"cdr": 3.6091525554656982,
|
| 23 |
+
"framework": 1.506879448890686,
|
| 24 |
+
"cdr_fw_aligned": 5.066780090332031,
|
| 25 |
+
"cdr1": 2.7107672691345215,
|
| 26 |
+
"cdr2": 0.3054715096950531,
|
| 27 |
+
"cdr3": 2.823427677154541,
|
| 28 |
+
"cdr1_fw_aligned": 3.654578924179077,
|
| 29 |
+
"cdr2_fw_aligned": 1.1747941970825195,
|
| 30 |
+
"cdr3_fw_aligned": 6.814667224884033,
|
| 31 |
+
"num_residues": 120,
|
| 32 |
+
"num_cdr_residues": 22
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 480,
|
| 36 |
+
"num_gt_atoms": 480,
|
| 37 |
+
"num_aligned_atoms": 480
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz1_C__B_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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|
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|
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|
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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": "8qz1_C__B_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 2.152801990509033,
|
| 7 |
+
"cdr": 3.1109800338745117,
|
| 8 |
+
"framework": 1.3121263980865479,
|
| 9 |
+
"cdr_fw_aligned": 4.263239860534668
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 544,
|
| 12 |
+
"num_gt_atoms": 516,
|
| 13 |
+
"num_aligned_atoms": 516,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9485294117647058,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
+
"total": 2.152801990509033,
|
| 22 |
+
"cdr": 3.1109800338745117,
|
| 23 |
+
"framework": 1.3121263980865479,
|
| 24 |
+
"cdr_fw_aligned": 4.263239860534668,
|
| 25 |
+
"cdr1": 2.13362979888916,
|
| 26 |
+
"cdr2": 0.3382907509803772,
|
| 27 |
+
"cdr3": 2.859830141067505,
|
| 28 |
+
"cdr1_fw_aligned": 4.5149993896484375,
|
| 29 |
+
"cdr2_fw_aligned": 2.691394805908203,
|
| 30 |
+
"cdr3_fw_aligned": 4.5960235595703125,
|
| 31 |
+
"num_residues": 129,
|
| 32 |
+
"num_cdr_residues": 30
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 544,
|
| 36 |
+
"num_gt_atoms": 516,
|
| 37 |
+
"num_aligned_atoms": 516
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz6_B__A_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz6_B__A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 2.1845271587371826,
|
| 7 |
+
"cdr": 3.7818641662597656,
|
| 8 |
+
"framework": 1.3045947551727295,
|
| 9 |
+
"cdr_fw_aligned": 4.437517166137695
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 996,
|
| 12 |
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"num_gt_atoms": 913,
|
| 13 |
+
"num_aligned_atoms": 838,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.8413654618473896,
|
| 16 |
+
"gt_coverage": 0.9178532311062432,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
+
"total": 2.1845271587371826,
|
| 22 |
+
"cdr": 3.7818641662597656,
|
| 23 |
+
"framework": 1.3045947551727295,
|
| 24 |
+
"cdr_fw_aligned": 4.437517166137695,
|
| 25 |
+
"cdr1": 2.1225643157958984,
|
| 26 |
+
"cdr2": 1.694833517074585,
|
| 27 |
+
"cdr3": 3.6135151386260986,
|
| 28 |
+
"cdr1_fw_aligned": 2.6616029739379883,
|
| 29 |
+
"cdr2_fw_aligned": 3.1838250160217285,
|
| 30 |
+
"cdr3_fw_aligned": 5.28132963180542,
|
| 31 |
+
"num_residues": 124,
|
| 32 |
+
"num_cdr_residues": 30
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 996,
|
| 36 |
+
"num_gt_atoms": 913,
|
| 37 |
+
"num_aligned_atoms": 838
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz6_B__A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz6_B__A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 2.0622777938842773,
|
| 7 |
+
"cdr": 3.393181562423706,
|
| 8 |
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"framework": 0.9382752180099487,
|
| 9 |
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"cdr_fw_aligned": 4.1621174812316895
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 544,
|
| 12 |
+
"num_gt_atoms": 496,
|
| 13 |
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"num_aligned_atoms": 496,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9117647058823529,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
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"total": 2.0622777938842773,
|
| 22 |
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"cdr": 3.393181562423706,
|
| 23 |
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"framework": 0.9382752180099487,
|
| 24 |
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"cdr_fw_aligned": 4.1621174812316895,
|
| 25 |
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"cdr1": 1.8886524438858032,
|
| 26 |
+
"cdr2": 1.4568318128585815,
|
| 27 |
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"cdr3": 2.943324327468872,
|
| 28 |
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"cdr1_fw_aligned": 2.5573008060455322,
|
| 29 |
+
"cdr2_fw_aligned": 3.2029314041137695,
|
| 30 |
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"cdr3_fw_aligned": 4.925123691558838,
|
| 31 |
+
"num_residues": 124,
|
| 32 |
+
"num_cdr_residues": 30
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 544,
|
| 36 |
+
"num_gt_atoms": 496,
|
| 37 |
+
"num_aligned_atoms": 496
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz7_B__A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz7_B__A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
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"total": 1.9887479543685913,
|
| 7 |
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"cdr": 3.243619918823242,
|
| 8 |
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"framework": 1.0054535865783691,
|
| 9 |
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"cdr_fw_aligned": 3.821885585784912
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 544,
|
| 12 |
+
"num_gt_atoms": 496,
|
| 13 |
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"num_aligned_atoms": 496,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9117647058823529,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
+
"total": 1.9887479543685913,
|
| 22 |
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"cdr": 3.243619918823242,
|
| 23 |
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"framework": 1.0054535865783691,
|
| 24 |
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"cdr_fw_aligned": 3.821885585784912,
|
| 25 |
+
"cdr1": 1.6119165420532227,
|
| 26 |
+
"cdr2": 1.5693113803863525,
|
| 27 |
+
"cdr3": 3.464057445526123,
|
| 28 |
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"cdr1_fw_aligned": 2.912893533706665,
|
| 29 |
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"cdr2_fw_aligned": 3.546618938446045,
|
| 30 |
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"cdr3_fw_aligned": 4.224150657653809,
|
| 31 |
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"num_residues": 124,
|
| 32 |
+
"num_cdr_residues": 30
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 544,
|
| 36 |
+
"num_gt_atoms": 496,
|
| 37 |
+
"num_aligned_atoms": 496
|
| 38 |
+
}
|
| 39 |
+
}
|
8r1c_H_L_A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r1c_H_L_A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.3121200203895569,
|
| 7 |
+
"cdr": 2.2130297422409058,
|
| 8 |
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"framework": 0.5756619572639465,
|
| 9 |
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"cdr_fw_aligned": 2.493316650390625
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 936,
|
| 12 |
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"num_gt_atoms": 932,
|
| 13 |
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"num_aligned_atoms": 932,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9957264957264957,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.2701314687728882,
|
| 22 |
+
"cdr": 2.279496908187866,
|
| 23 |
+
"framework": 0.577461838722229,
|
| 24 |
+
"cdr_fw_aligned": 2.5377728939056396,
|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 1.213518500328064,
|
| 29 |
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"cdr2_fw_aligned": 0.8229914307594299,
|
| 30 |
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"cdr3_fw_aligned": 3.4193432331085205,
|
| 31 |
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"num_residues": 124,
|
| 32 |
+
"num_cdr_residues": 28
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
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"total": 1.3541085720062256,
|
| 37 |
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"cdr": 2.1465625762939453,
|
| 38 |
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"framework": 0.5738620758056641,
|
| 39 |
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"cdr_fw_aligned": 2.4488604068756104,
|
| 40 |
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"cdr1": 1.9712687730789185,
|
| 41 |
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"cdr2": 0.31208333373069763,
|
| 42 |
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"cdr3": 2.1096413135528564,
|
| 43 |
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"cdr1_fw_aligned": 2.0357730388641357,
|
| 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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"num_gt_atoms": 496,
|
| 52 |
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"num_aligned_atoms": 496
|
| 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": 436,
|
| 57 |
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"num_aligned_atoms": 436
|
| 58 |
+
}
|
| 59 |
+
}
|
8r40_A_a_C_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r40_A_a_C_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": 15.28957748413086,
|
| 7 |
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|
| 8 |
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"framework": 13.129055976867676,
|
| 9 |
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|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 2096,
|
| 12 |
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"num_gt_atoms": 1936,
|
| 13 |
+
"num_aligned_atoms": 1936,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9236641221374046,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "A",
|
| 21 |
+
"total": 15.28957748413086,
|
| 22 |
+
"cdr": 4.466340065002441,
|
| 23 |
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"framework": 13.15658187866211,
|
| 24 |
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"cdr_fw_aligned": 29.50910758972168,
|
| 25 |
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"cdr1": 1.9368611574172974,
|
| 26 |
+
"cdr2": 0.3626619279384613,
|
| 27 |
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"cdr3": 4.123272895812988,
|
| 28 |
+
"cdr1_fw_aligned": 24.82638168334961,
|
| 29 |
+
"cdr2_fw_aligned": 24.040006637573242,
|
| 30 |
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"cdr3_fw_aligned": 32.67042922973633,
|
| 31 |
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"num_residues": 242,
|
| 32 |
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"num_cdr_residues": 31
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "A",
|
| 36 |
+
"total": 15.28957748413086,
|
| 37 |
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"cdr": 5.195033073425293,
|
| 38 |
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"framework": 13.101530075073242,
|
| 39 |
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"cdr_fw_aligned": 28.74970245361328,
|
| 40 |
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"cdr1": 2.0837666988372803,
|
| 41 |
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"cdr2": 0.2911145091056824,
|
| 42 |
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"cdr3": 3.4327077865600586,
|
| 43 |
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"cdr1_fw_aligned": 27.492612838745117,
|
| 44 |
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"cdr2_fw_aligned": 27.887928009033203,
|
| 45 |
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"cdr3_fw_aligned": 30.6186580657959,
|
| 46 |
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"num_residues": 242,
|
| 47 |
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"num_cdr_residues": 33
|
| 48 |
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},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 968
|
| 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": 968,
|
| 57 |
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"num_aligned_atoms": 968
|
| 58 |
+
}
|
| 59 |
+
}
|
8r9y_H_L_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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|
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|
|
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|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r9y_H_L_A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.025965541601181,
|
| 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": 1724,
|
| 13 |
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"num_aligned_atoms": 1724,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 1.0,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 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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"num_residues": 219,
|
| 32 |
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|
| 33 |
+
},
|
| 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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"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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"num_gt_atoms": 848,
|
| 57 |
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"num_aligned_atoms": 848
|
| 58 |
+
}
|
| 59 |
+
}
|
8r9z_H_L_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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|
|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 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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|
| 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": true
|
| 18 |
+
},
|
| 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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"light_chain": {
|
| 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": 848
|
| 58 |
+
}
|
| 59 |
+
}
|
8rz1_A_a_B_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8rz1_A_a_B_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 0.9461884498596191,
|
| 7 |
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"cdr": 1.2582231163978577,
|
| 8 |
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"framework": 0.8238743543624878,
|
| 9 |
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"cdr_fw_aligned": 1.6233121752738953
|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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"num_aligned_atoms": 1824,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.8,
|
| 16 |
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|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "A",
|
| 21 |
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"total": 0.9461884498596191,
|
| 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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"cdr3_fw_aligned": 2.2366015911102295,
|
| 31 |
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"num_residues": 228,
|
| 32 |
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|
| 33 |
+
},
|
| 34 |
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"light_chain": {
|
| 35 |
+
"chain_id": "A",
|
| 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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"cdr2_fw_aligned": 0.7662830352783203,
|
| 45 |
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"cdr3_fw_aligned": 2.3779754638671875,
|
| 46 |
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|
| 47 |
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"num_cdr_residues": 31
|
| 48 |
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|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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"num_gt_atoms": 912,
|
| 52 |
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"num_aligned_atoms": 912
|
| 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": 912,
|
| 57 |
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"num_aligned_atoms": 912
|
| 58 |
+
}
|
| 59 |
+
}
|
8s0l_B__A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
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|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8s0l_B__A_sample_0",
|
| 3 |
+
"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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"framework": 2.9850845336914062,
|
| 9 |
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"cdr_fw_aligned": 6.4964213371276855
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 1067,
|
| 12 |
+
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.8547328959700093,
|
| 16 |
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"gt_coverage": 0.9202825428859738,
|
| 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": 3.7592177391052246,
|
| 22 |
+
"cdr": 5.078093528747559,
|
| 23 |
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"framework": 2.9850845336914062,
|
| 24 |
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"cdr_fw_aligned": 6.4964213371276855,
|
| 25 |
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"cdr1": 0.5347583889961243,
|
| 26 |
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"cdr2": 0.41431307792663574,
|
| 27 |
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|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 0.4587900936603546,
|
| 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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|
| 36 |
+
"num_gt_atoms": 991,
|
| 37 |
+
"num_aligned_atoms": 912
|
| 38 |
+
}
|
| 39 |
+
}
|
8s0l_B__A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8s0l_B__A_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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"num_gt_atoms": 991,
|
| 13 |
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"num_aligned_atoms": 912,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.8547328959700093,
|
| 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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"total": 3.0409512519836426,
|
| 22 |
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"cdr": 4.835615158081055,
|
| 23 |
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"framework": 1.5745166540145874,
|
| 24 |
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"cdr_fw_aligned": 6.875010013580322,
|
| 25 |
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"cdr1": 0.5281072854995728,
|
| 26 |
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"cdr2": 0.2347617894411087,
|
| 27 |
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"cdr3": 5.169266223907471,
|
| 28 |
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"cdr1_fw_aligned": 1.0381155014038086,
|
| 29 |
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"cdr2_fw_aligned": 0.4933975338935852,
|
| 30 |
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"cdr3_fw_aligned": 8.814663887023926,
|
| 31 |
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"num_residues": 130,
|
| 32 |
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"num_cdr_residues": 32
|
| 33 |
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},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
+
"num_gt_atoms": 991,
|
| 37 |
+
"num_aligned_atoms": 912
|
| 38 |
+
}
|
| 39 |
+
}
|
8s5w_B__A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8s5w_B__A_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": 3.102754831314087,
|
| 7 |
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|
| 8 |
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|
| 9 |
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"cdr_fw_aligned": 7.460104942321777
|
| 10 |
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},
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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": 0.8412391093901258,
|
| 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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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
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|
| 37 |
+
"num_aligned_atoms": 869
|
| 38 |
+
}
|
| 39 |
+
}
|
8s5w_B__A_sample_3_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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|
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|
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|
|
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|
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|
|
|
|
|
|
|
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|
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|
|
|
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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": "8s5w_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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"total": 2.720674991607666,
|
| 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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|
| 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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"num_aligned_atoms": 869
|
| 38 |
+
}
|
| 39 |
+
}
|
8scx_H_L_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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|
|
| 1 |
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{
|
| 2 |
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"entry": "8scx_H_L_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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"total": 1.1139609217643738,
|
| 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 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
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"total": 1.0573269128799438,
|
| 37 |
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"cdr": 0.8103497624397278,
|
| 38 |
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"framework": 1.0998703241348267,
|
| 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 |
+
}
|
8scx_H_L_C_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
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|
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|
|
|
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|
|
|
|
| 1 |
+
{
|
| 2 |
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| 3 |
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| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 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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|
8sdg_G_I_C_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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{
|
| 2 |
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"entry": "8sdg_G_I_C_sample_4",
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| 3 |
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"success": true,
|
| 4 |
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"error": null,
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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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| 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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|
8sfx_D__B_sample_0_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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|
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|
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|
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|
|
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|
|
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|
|
|
|
|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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|
| 3 |
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|
| 4 |
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|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 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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|
8sfx_D__B_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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|
|
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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": "8sfx_D__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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"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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|
| 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 |
+
}
|
8sgj_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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|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8sgj_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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"total": 1.7103955149650574,
|
| 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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"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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"total": 1.803925633430481,
|
| 37 |
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|
| 38 |
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"framework": 1.3630285263061523,
|
| 39 |
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|
| 40 |
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|
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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 |
+
"num_gt_atoms": 816,
|
| 57 |
+
"num_aligned_atoms": 743
|
| 58 |
+
}
|
| 59 |
+
}
|
8sgt_H_L_A_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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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sgt_H_L_A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
+
"total": 1.377643346786499,
|
| 7 |
+
"cdr": 2.2106982469558716,
|
| 8 |
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"framework": 0.6746017932891846,
|
| 9 |
+
"cdr_fw_aligned": 2.737102508544922
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 1804,
|
| 12 |
+
"num_gt_atoms": 924,
|
| 13 |
+
"num_aligned_atoms": 924,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.5121951219512195,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.3002320528030396,
|
| 22 |
+
"cdr": 2.0892083644866943,
|
| 23 |
+
"framework": 0.6718596816062927,
|
| 24 |
+
"cdr_fw_aligned": 2.7383358478546143,
|
| 25 |
+
"cdr1": 0.7290918231010437,
|
| 26 |
+
"cdr2": 0.2910716235637665,
|
| 27 |
+
"cdr3": 2.427046775817871,
|
| 28 |
+
"cdr1_fw_aligned": 1.4355992078781128,
|
| 29 |
+
"cdr2_fw_aligned": 1.0040591955184937,
|
| 30 |
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"cdr3_fw_aligned": 3.7303659915924072,
|
| 31 |
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"num_residues": 121,
|
| 32 |
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"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 1.4550546407699585,
|
| 37 |
+
"cdr": 2.332188129425049,
|
| 38 |
+
"framework": 0.6773439049720764,
|
| 39 |
+
"cdr_fw_aligned": 2.7358691692352295,
|
| 40 |
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"cdr1": 3.002342939376831,
|
| 41 |
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"cdr2": 0.48994943499565125,
|
| 42 |
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"cdr3": 0.9520312547683716,
|
| 43 |
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"cdr1_fw_aligned": 3.8086187839508057,
|
| 44 |
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"cdr2_fw_aligned": 0.8258234262466431,
|
| 45 |
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"cdr3_fw_aligned": 1.3620853424072266,
|
| 46 |
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"num_residues": 110,
|
| 47 |
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"num_cdr_residues": 30
|
| 48 |
+
},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 996,
|
| 51 |
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"num_gt_atoms": 484,
|
| 52 |
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"num_aligned_atoms": 484
|
| 53 |
+
},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 808,
|
| 56 |
+
"num_gt_atoms": 440,
|
| 57 |
+
"num_aligned_atoms": 440
|
| 58 |
+
}
|
| 59 |
+
}
|
8smn_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8smn_H_L_A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.7367915511131287,
|
| 7 |
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"cdr": 2.7905463576316833,
|
| 8 |
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"framework": 0.7270393669605255,
|
| 9 |
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"cdr_fw_aligned": 3.5787116289138794
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 1796,
|
| 12 |
+
"num_gt_atoms": 920,
|
| 13 |
+
"num_aligned_atoms": 920,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.512249443207127,
|
| 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": 2.1123828887939453,
|
| 22 |
+
"cdr": 3.596345901489258,
|
| 23 |
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"framework": 0.5818173289299011,
|
| 24 |
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"cdr_fw_aligned": 4.777281284332275,
|
| 25 |
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|
| 26 |
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"cdr2": 0.8715421557426453,
|
| 27 |
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"cdr3": 3.3316376209259033,
|
| 28 |
+
"cdr1_fw_aligned": 0.7866846919059753,
|
| 29 |
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"cdr2_fw_aligned": 1.7104164361953735,
|
| 30 |
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"cdr3_fw_aligned": 6.515475273132324,
|
| 31 |
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"num_residues": 124,
|
| 32 |
+
"num_cdr_residues": 27
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
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"total": 1.361200213432312,
|
| 37 |
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"cdr": 1.9847468137741089,
|
| 38 |
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"framework": 0.8722614049911499,
|
| 39 |
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"cdr_fw_aligned": 2.3801419734954834,
|
| 40 |
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"cdr1": 2.337139844894409,
|
| 41 |
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"cdr2": 0.3747018873691559,
|
| 42 |
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"cdr3": 1.6568670272827148,
|
| 43 |
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"cdr1_fw_aligned": 3.08742356300354,
|
| 44 |
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"cdr2_fw_aligned": 0.6803820133209229,
|
| 45 |
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"cdr3_fw_aligned": 2.232654094696045,
|
| 46 |
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"num_residues": 106,
|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 936,
|
| 51 |
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"num_gt_atoms": 496,
|
| 52 |
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"num_aligned_atoms": 496
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 860,
|
| 56 |
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"num_gt_atoms": 424,
|
| 57 |
+
"num_aligned_atoms": 424
|
| 58 |
+
}
|
| 59 |
+
}
|
8sxp_H_L_C_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sxp_H_L_C_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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|
| 12 |
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|
| 13 |
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|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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|
| 21 |
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"total": 3.348055124282837,
|
| 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": 5.022129535675049,
|
| 29 |
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|
| 30 |
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|
| 31 |
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"num_residues": 227,
|
| 32 |
+
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|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
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"total": 2.6104934215545654,
|
| 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": 0.8969582915306091,
|
| 43 |
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"cdr1_fw_aligned": 4.638787269592285,
|
| 44 |
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"cdr2_fw_aligned": 3.9612369537353516,
|
| 45 |
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|
| 46 |
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"num_residues": 212,
|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 908
|
| 53 |
+
},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
+
"num_gt_atoms": 848,
|
| 57 |
+
"num_aligned_atoms": 848
|
| 58 |
+
}
|
| 59 |
+
}
|
8t03_C_D_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8t03_C_D_A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.0373869240283966,
|
| 7 |
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|
| 8 |
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"framework": 0.620972603559494,
|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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"num_gt_atoms": 908,
|
| 13 |
+
"num_aligned_atoms": 908,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 1.0,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
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|
| 21 |
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"total": 1.4294648170471191,
|
| 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 |
+
"cdr1_fw_aligned": 3.312568187713623,
|
| 29 |
+
"cdr2_fw_aligned": 1.4439914226531982,
|
| 30 |
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|
| 31 |
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"num_residues": 120,
|
| 32 |
+
"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "D",
|
| 36 |
+
"total": 0.6453090310096741,
|
| 37 |
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"cdr": 0.74448162317276,
|
| 38 |
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"framework": 0.6054272651672363,
|
| 39 |
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"cdr_fw_aligned": 0.7581085562705994,
|
| 40 |
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|
| 41 |
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|
| 42 |
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"cdr3": 1.069303035736084,
|
| 43 |
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"cdr1_fw_aligned": 0.38363564014434814,
|
| 44 |
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"cdr2_fw_aligned": 0.4509408473968506,
|
| 45 |
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"cdr3_fw_aligned": 1.1773408651351929,
|
| 46 |
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"num_residues": 107,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 480,
|
| 51 |
+
"num_gt_atoms": 480,
|
| 52 |
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"num_aligned_atoms": 480
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 428,
|
| 56 |
+
"num_gt_atoms": 428,
|
| 57 |
+
"num_aligned_atoms": 428
|
| 58 |
+
}
|
| 59 |
+
}
|
8t03_C_D_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8t03_C_D_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": true
|
| 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": 428
|
| 58 |
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}
|
| 59 |
+
}
|
8t9b_C_G_L_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8t9b_C_G_L_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": 4.380517244338989,
|
| 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": "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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"light_chain": {
|
| 35 |
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"chain_id": "G",
|
| 36 |
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"total": 4.245553970336914,
|
| 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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"cdr2_fw_aligned": 4.583085060119629,
|
| 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": 840
|
| 58 |
+
}
|
| 59 |
+
}
|
8t9b_C_G_L_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8t9b_C_G_L_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"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 |
+
"alignment_coverage": {
|
| 15 |
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|
| 16 |
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"gt_coverage": 0.9538887181063633,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 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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|
| 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": 2.5881857872009277,
|
| 43 |
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|
| 44 |
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"cdr2_fw_aligned": 4.444577693939209,
|
| 45 |
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|
| 46 |
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"num_residues": 210,
|
| 47 |
+
"num_cdr_residues": 29
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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"num_gt_atoms": 1707,
|
| 52 |
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"num_aligned_atoms": 1606
|
| 53 |
+
},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
+
"num_gt_atoms": 1546,
|
| 57 |
+
"num_aligned_atoms": 1497
|
| 58 |
+
}
|
| 59 |
+
}
|
8tco_E_D_AB_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tco_E_D_AB_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
+
"total": 1.8738036155700684,
|
| 7 |
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"cdr": 2.929707646369934,
|
| 8 |
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"framework": 0.877630203962326,
|
| 9 |
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"cdr_fw_aligned": 3.7123929262161255
|
| 10 |
+
},
|
| 11 |
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|
| 12 |
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|
| 13 |
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"num_aligned_atoms": 928,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.5260770975056689,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "E",
|
| 21 |
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"total": 2.6326024532318115,
|
| 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": 4.4105119705200195,
|
| 28 |
+
"cdr1_fw_aligned": 1.3098028898239136,
|
| 29 |
+
"cdr2_fw_aligned": 1.6615867614746094,
|
| 30 |
+
"cdr3_fw_aligned": 7.499497413635254,
|
| 31 |
+
"num_residues": 124,
|
| 32 |
+
"num_cdr_residues": 29
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "D",
|
| 36 |
+
"total": 1.1150047779083252,
|
| 37 |
+
"cdr": 1.4815800189971924,
|
| 38 |
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"framework": 0.8429015278816223,
|
| 39 |
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"cdr_fw_aligned": 1.7665526866912842,
|
| 40 |
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|
| 41 |
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|
| 42 |
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"cdr3": 1.546464443206787,
|
| 43 |
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"cdr1_fw_aligned": 0.6697306632995605,
|
| 44 |
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"cdr2_fw_aligned": 1.40166437625885,
|
| 45 |
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"cdr3_fw_aligned": 2.6209452152252197,
|
| 46 |
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"num_residues": 108,
|
| 47 |
+
"num_cdr_residues": 28
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 904,
|
| 51 |
+
"num_gt_atoms": 496,
|
| 52 |
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"num_aligned_atoms": 496
|
| 53 |
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},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 860,
|
| 56 |
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"num_gt_atoms": 432,
|
| 57 |
+
"num_aligned_atoms": 432
|
| 58 |
+
}
|
| 59 |
+
}
|
8tfh_H_L_B_sample_0_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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| 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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| 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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|
8tkc_G_H_AB_sample_2_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": "8tkc_G_H_AB_sample_2",
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| 3 |
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| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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| 15 |
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| 16 |
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| 17 |
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|
| 18 |
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| 19 |
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| 20 |
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| 21 |
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| 22 |
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| 23 |
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| 24 |
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| 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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| 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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| 56 |
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|
| 57 |
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|
| 58 |
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|
| 59 |
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|
8tkc_G_H_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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|
|
| 1 |
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{
|
| 2 |
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|
| 3 |
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|
| 4 |
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|
| 5 |
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| 6 |
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| 7 |
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| 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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|
| 25 |
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|
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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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| 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 |
+
}
|
8tnj_E_F_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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|
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|
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|
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|
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|
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|
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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": "8tnj_E_F_A_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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|
| 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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|
| 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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|
| 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 |
+
}
|
8tnj_E_F_A_sample_1_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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| 3 |
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| 4 |
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| 13 |
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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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| 25 |
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| 27 |
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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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| 48 |
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| 49 |
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| 53 |
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| 54 |
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| 55 |
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| 58 |
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|
| 59 |
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|
8too_B_A_I_sample_0_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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| 3 |
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| 4 |
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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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| 21 |
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| 22 |
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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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| 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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|
8too_B_A_I_sample_1_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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| 6 |
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| 7 |
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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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| 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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|
| 31 |
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|
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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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|
| 49 |
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| 50 |
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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 |
+
}
|
8tp7_D_F_A_sample_0_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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| 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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| 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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|
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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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| 46 |
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|
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|
| 48 |
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|
| 49 |
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| 53 |
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| 54 |
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|
| 57 |
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|
| 58 |
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}
|
| 59 |
+
}
|
8tp7_D_F_A_sample_1_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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|
| 3 |
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|
| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 10 |
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| 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": "D",
|
| 21 |
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"total": 1.8289680480957031,
|
| 22 |
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"cdr": 3.237616777420044,
|
| 23 |
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"framework": 0.9822346568107605,
|
| 24 |
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|
| 25 |
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"cdr1": 1.3637086153030396,
|
| 26 |
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|
| 27 |
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"cdr3": 2.946587324142456,
|
| 28 |
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"cdr1_fw_aligned": 2.8336234092712402,
|
| 29 |
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"cdr2_fw_aligned": 2.3075530529022217,
|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 30
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "F",
|
| 36 |
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"total": 1.197960615158081,
|
| 37 |
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|
| 38 |
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"framework": 0.8324706554412842,
|
| 39 |
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"cdr_fw_aligned": 2.0198583602905273,
|
| 40 |
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"cdr1": 2.244779348373413,
|
| 41 |
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"cdr2": 0.3582325577735901,
|
| 42 |
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"cdr3": 1.2750002145767212,
|
| 43 |
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"cdr1_fw_aligned": 2.6964592933654785,
|
| 44 |
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"cdr2_fw_aligned": 0.5318086743354797,
|
| 45 |
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"cdr3_fw_aligned": 1.628774642944336,
|
| 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": 893
|
| 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": 726
|
| 58 |
+
}
|
| 59 |
+
}
|
8tp7_D_F_A_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8tp7_D_F_A_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": 1.4727637767791748,
|
| 7 |
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"cdr": 2.466246485710144,
|
| 8 |
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"framework": 0.503409281373024,
|
| 9 |
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"cdr_fw_aligned": 2.9526175260543823
|
| 10 |
+
},
|
| 11 |
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|
| 12 |
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"num_gt_atoms": 936,
|
| 13 |
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"num_aligned_atoms": 936,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 1.0,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "D",
|
| 21 |
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"total": 1.8593969345092773,
|
| 22 |
+
"cdr": 3.370617389678955,
|
| 23 |
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"framework": 0.5618135929107666,
|
| 24 |
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"cdr_fw_aligned": 3.717305898666382,
|
| 25 |
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|
| 26 |
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"cdr2": 0.5551135540008545,
|
| 27 |
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"cdr3": 2.60324764251709,
|
| 28 |
+
"cdr1_fw_aligned": 3.8376476764678955,
|
| 29 |
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"cdr2_fw_aligned": 0.9113901853561401,
|
| 30 |
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|
| 31 |
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"num_residues": 126,
|
| 32 |
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"num_cdr_residues": 30
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "F",
|
| 36 |
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"total": 1.0861306190490723,
|
| 37 |
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"cdr": 1.561875581741333,
|
| 38 |
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"framework": 0.44500496983528137,
|
| 39 |
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"cdr_fw_aligned": 2.187929153442383,
|
| 40 |
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"cdr1": 1.8029999732971191,
|
| 41 |
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"cdr2": 0.2865724265575409,
|
| 42 |
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"cdr3": 1.0675896406173706,
|
| 43 |
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"cdr1_fw_aligned": 2.5758185386657715,
|
| 44 |
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"cdr2_fw_aligned": 0.4612301290035248,
|
| 45 |
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"cdr3_fw_aligned": 2.3242318630218506,
|
| 46 |
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"num_residues": 108,
|
| 47 |
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"num_cdr_residues": 31
|
| 48 |
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},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 504,
|
| 51 |
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"num_gt_atoms": 504,
|
| 52 |
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"num_aligned_atoms": 504
|
| 53 |
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},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 432,
|
| 57 |
+
"num_aligned_atoms": 432
|
| 58 |
+
}
|
| 59 |
+
}
|
8tq7_F_G_C_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tq7_F_G_C_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.338578999042511,
|
| 7 |
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|
| 8 |
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"framework": 1.2115457355976105,
|
| 9 |
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|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 1712,
|
| 12 |
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"num_gt_atoms": 1696,
|
| 13 |
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"num_aligned_atoms": 1696,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9906542056074766,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "F",
|
| 21 |
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"total": 0.9699664115905762,
|
| 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": 1.3958584070205688,
|
| 29 |
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|
| 30 |
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"cdr3_fw_aligned": 2.549206256866455,
|
| 31 |
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"num_residues": 211,
|
| 32 |
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"num_cdr_residues": 21
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
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"chain_id": "G",
|
| 36 |
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"total": 1.7071915864944458,
|
| 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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"num_cdr_residues": 27
|
| 48 |
+
},
|
| 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 |
+
},
|
| 54 |
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|
| 55 |
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|
| 56 |
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"num_gt_atoms": 852,
|
| 57 |
+
"num_aligned_atoms": 852
|
| 58 |
+
}
|
| 59 |
+
}
|
8tq9_H_L_AB_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 |
+
{
|
| 2 |
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"entry": "8tq9_H_L_AB_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.7150247693061829,
|
| 7 |
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"cdr": 1.728692889213562,
|
| 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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"pred_coverage": 0.9765184721352536,
|
| 16 |
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"gt_coverage": 0.9591020910209103,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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"total": 1.8958340883255005,
|
| 22 |
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"cdr": 1.627488374710083,
|
| 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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"num_residues": 218,
|
| 32 |
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|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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"total": 1.5342154502868652,
|
| 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 |
+
},
|
| 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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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 1576
|
| 58 |
+
}
|
| 59 |
+
}
|
8tq9_H_L_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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|
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|
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|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tq9_H_L_AB_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.7330101132392883,
|
| 7 |
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"cdr": 1.7414715886116028,
|
| 8 |
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"framework": 1.6176897287368774,
|
| 9 |
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"cdr_fw_aligned": 2.7399295568466187
|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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"num_aligned_atoms": 3119,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9765184721352536,
|
| 16 |
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"gt_coverage": 0.9591020910209103,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 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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|
| 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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"cdr2_fw_aligned": 2.0961062908172607,
|
| 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 |
+
}
|
8u1c_H_L_A_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 |
+
{
|
| 2 |
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"entry": "8u1c_H_L_A_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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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
+
"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": 428
|
| 58 |
+
}
|
| 59 |
+
}
|
8u1c_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8u1c_H_L_A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.2819077968597412,
|
| 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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|
| 58 |
+
}
|
| 59 |
+
}
|
8u5l_J_j_A_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8u5l_J_j_A_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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|
| 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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|
| 58 |
+
}
|
| 59 |
+
}
|
8udz_C_D_B_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8udz_C_D_B_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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"total": 4.048185586929321,
|
| 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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"pred_coverage": 0.9623059866962306,
|
| 16 |
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"gt_coverage": 1.0,
|
| 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": 5.20091438293457,
|
| 29 |
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"cdr2_fw_aligned": 5.307079792022705,
|
| 30 |
+
"cdr3_fw_aligned": 4.627491474151611,
|
| 31 |
+
"num_residues": 220,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "D",
|
| 36 |
+
"total": 4.5121235847473145,
|
| 37 |
+
"cdr": 1.0943094491958618,
|
| 38 |
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"framework": 4.0931172370910645,
|
| 39 |
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"cdr_fw_aligned": 7.427116394042969,
|
| 40 |
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"cdr1": 0.9513748288154602,
|
| 41 |
+
"cdr2": 0.393317848443985,
|
| 42 |
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"cdr3": 0.6583755016326904,
|
| 43 |
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"cdr1_fw_aligned": 8.365864753723145,
|
| 44 |
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"cdr2_fw_aligned": 5.792112827301025,
|
| 45 |
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"cdr3_fw_aligned": 7.169039726257324,
|
| 46 |
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"num_residues": 214,
|
| 47 |
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"num_cdr_residues": 31
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 932,
|
| 51 |
+
"num_gt_atoms": 880,
|
| 52 |
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"num_aligned_atoms": 880
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 872,
|
| 56 |
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"num_gt_atoms": 856,
|
| 57 |
+
"num_aligned_atoms": 856
|
| 58 |
+
}
|
| 59 |
+
}
|
8udz_C_D_B_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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|
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|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8udz_C_D_B_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.5059319138526917,
|
| 7 |
+
"cdr": 1.8459715247154236,
|
| 8 |
+
"framework": 1.414875328540802,
|
| 9 |
+
"cdr_fw_aligned": 2.3142260313034058
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 3304,
|
| 12 |
+
"num_gt_atoms": 3275,
|
| 13 |
+
"num_aligned_atoms": 3133,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9482445520581114,
|
| 16 |
+
"gt_coverage": 0.9566412213740458,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
+
"total": 1.6134806871414185,
|
| 22 |
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"cdr": 2.2645421028137207,
|
| 23 |
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"framework": 1.4943516254425049,
|
| 24 |
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"cdr_fw_aligned": 2.6498920917510986,
|
| 25 |
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"cdr1": 0.5912838578224182,
|
| 26 |
+
"cdr2": 0.4793356955051422,
|
| 27 |
+
"cdr3": 2.260528802871704,
|
| 28 |
+
"cdr1_fw_aligned": 1.0791951417922974,
|
| 29 |
+
"cdr2_fw_aligned": 1.0480841398239136,
|
| 30 |
+
"cdr3_fw_aligned": 3.6828789710998535,
|
| 31 |
+
"num_residues": 220,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "D",
|
| 36 |
+
"total": 1.3983831405639648,
|
| 37 |
+
"cdr": 1.4274009466171265,
|
| 38 |
+
"framework": 1.3353990316390991,
|
| 39 |
+
"cdr_fw_aligned": 1.978559970855713,
|
| 40 |
+
"cdr1": 1.104632019996643,
|
| 41 |
+
"cdr2": 0.5268424153327942,
|
| 42 |
+
"cdr3": 1.0619944334030151,
|
| 43 |
+
"cdr1_fw_aligned": 1.866348147392273,
|
| 44 |
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"cdr2_fw_aligned": 1.5198811292648315,
|
| 45 |
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"cdr3_fw_aligned": 2.3498432636260986,
|
| 46 |
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"num_residues": 214,
|
| 47 |
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"num_cdr_residues": 31
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 1718,
|
| 51 |
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"num_gt_atoms": 1654,
|
| 52 |
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"num_aligned_atoms": 1589
|
| 53 |
+
},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 1586,
|
| 56 |
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"num_gt_atoms": 1621,
|
| 57 |
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"num_aligned_atoms": 1544
|
| 58 |
+
}
|
| 59 |
+
}
|