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- 7vgs_D_C_A_sample_1_rmsd.json +59 -0
- 7vgs_D_C_A_sample_1_rmsd_backbone.json +59 -0
- 7vgs_D_C_A_sample_2_rmsd.json +59 -0
- 7vgs_D_C_A_sample_3_rmsd.json +59 -0
- 7vgs_D_C_A_sample_4_rmsd_backbone.json +59 -0
- 7xic_K_L_B_sample_0_rmsd_backbone.json +59 -0
- 7xic_K_L_B_sample_2_rmsd_backbone.json +59 -0
- 7xic_K_L_B_sample_4_rmsd.json +59 -0
- 8e1m_H_L_C_sample_1_rmsd_backbone.json +59 -0
- 8e1m_H_L_C_sample_3_rmsd_backbone.json +59 -0
- 8euq_C_D_AB_sample_0_rmsd.json +59 -0
- 8euq_C_D_AB_sample_1_rmsd.json +59 -0
- 8euq_C_D_AB_sample_1_rmsd_backbone.json +59 -0
- 8euq_C_D_AB_sample_2_rmsd.json +59 -0
- 8euq_C_D_AB_sample_3_rmsd.json +59 -0
- 8euq_C_D_AB_sample_4_rmsd_backbone.json +59 -0
- 8q7o_A__C_sample_0_rmsd.json +39 -0
- 8q7o_A__C_sample_1_rmsd.json +39 -0
- 8q7o_A__C_sample_1_rmsd_backbone.json +39 -0
- 8q7o_A__C_sample_2_rmsd.json +39 -0
- 8q7o_A__C_sample_3_rmsd.json +39 -0
- 8q7o_A__C_sample_3_rmsd_backbone.json +39 -0
- 8q7o_A__C_sample_4_rmsd_backbone.json +39 -0
- 8q7s_F__D_sample_0_rmsd_backbone.json +39 -0
- 8q7s_F__D_sample_2_rmsd_backbone.json +39 -0
- 8q7s_F__D_sample_4_rmsd.json +39 -0
- 8q94_C__A_sample_4_rmsd_backbone.json +39 -0
- 8qf5_G__H_sample_2_rmsd_backbone.json +39 -0
- 8qf5_G__H_sample_4_rmsd.json +39 -0
- 8qot_B__A_sample_3_rmsd_backbone.json +39 -0
- 8qot_B__A_sample_4_rmsd.json +39 -0
- 8qot_B__A_sample_4_rmsd_backbone.json +39 -0
- 8qq0_E_D_A_sample_3_rmsd_backbone.json +59 -0
- 8qq0_E_D_A_sample_4_rmsd.json +59 -0
- 8qz1_C__B_sample_3_rmsd_backbone.json +39 -0
- 8qz3_C__B_sample_0_rmsd_backbone.json +39 -0
- 8qz3_C__B_sample_2_rmsd_backbone.json +39 -0
- 8qz3_C__B_sample_4_rmsd.json +39 -0
- 8qz6_B__A_sample_0_rmsd.json +39 -0
- 8qz6_B__A_sample_1_rmsd.json +39 -0
- 8qz6_B__A_sample_1_rmsd_backbone.json +39 -0
- 8qz6_B__A_sample_2_rmsd.json +39 -0
- 8qz6_B__A_sample_3_rmsd.json +39 -0
- 8qz6_B__A_sample_4_rmsd_backbone.json +39 -0
- 8qz7_B__A_sample_4_rmsd_backbone.json +39 -0
- 8r1c_H_L_A_sample_0_rmsd.json +59 -0
- 8r1c_H_L_A_sample_1_rmsd.json +59 -0
- 8r1c_H_L_A_sample_1_rmsd_backbone.json +59 -0
- 8r1c_H_L_A_sample_2_rmsd.json +59 -0
- 8r1c_H_L_A_sample_3_rmsd.json +59 -0
7vgs_D_C_A_sample_1_rmsd.json
ADDED
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{
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7vgs_D_C_A_sample_1_rmsd_backbone.json
ADDED
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{
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"entry": "7vgs_D_C_A_sample_1",
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}
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7vgs_D_C_A_sample_2_rmsd.json
ADDED
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{
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| 59 |
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7vgs_D_C_A_sample_3_rmsd.json
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{
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"entry": "7vgs_D_C_A_sample_3",
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"success": true,
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"error": null,
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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"chain_id": "D",
|
| 21 |
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"total": 1.4050817489624023,
|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 1.9513885974884033,
|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 17
|
| 33 |
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|
| 34 |
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"light_chain": {
|
| 35 |
+
"chain_id": "C",
|
| 36 |
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"total": 1.7749292850494385,
|
| 37 |
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|
| 38 |
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"framework": 1.642284631729126,
|
| 39 |
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"cdr_fw_aligned": 2.7208449840545654,
|
| 40 |
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|
| 41 |
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|
| 42 |
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"cdr3": 1.3690053224563599,
|
| 43 |
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"cdr1_fw_aligned": 3.4277138710021973,
|
| 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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"num_aligned_atoms": 1580
|
| 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": 1656
|
| 58 |
+
}
|
| 59 |
+
}
|
7vgs_D_C_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "7vgs_D_C_A_sample_4",
|
| 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": 0.9722164869308472,
|
| 7 |
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"cdr": 1.05496084690094,
|
| 8 |
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"framework": 0.8984183073043823,
|
| 9 |
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"cdr_fw_aligned": 1.4408704340457916
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 1788,
|
| 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": 0.9642058165548099,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "D",
|
| 21 |
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"total": 0.7701849937438965,
|
| 22 |
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"cdr": 0.8776545524597168,
|
| 23 |
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"framework": 0.7505260705947876,
|
| 24 |
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|
| 25 |
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"cdr1": 0.849672257900238,
|
| 26 |
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"cdr2": 0.8126121759414673,
|
| 27 |
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|
| 28 |
+
"cdr1_fw_aligned": 1.183184266090393,
|
| 29 |
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"cdr2_fw_aligned": 0.9436200261116028,
|
| 30 |
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"cdr3_fw_aligned": 0.5503935813903809,
|
| 31 |
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"num_residues": 213,
|
| 32 |
+
"num_cdr_residues": 17
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "C",
|
| 36 |
+
"total": 1.1742479801177979,
|
| 37 |
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"cdr": 1.232267141342163,
|
| 38 |
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"framework": 1.046310544013977,
|
| 39 |
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"cdr_fw_aligned": 1.9009379148483276,
|
| 40 |
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"cdr1": 1.284940481185913,
|
| 41 |
+
"cdr2": 0.9294084310531616,
|
| 42 |
+
"cdr3": 1.043399453163147,
|
| 43 |
+
"cdr1_fw_aligned": 2.4006757736206055,
|
| 44 |
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"cdr2_fw_aligned": 1.2733352184295654,
|
| 45 |
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"cdr3_fw_aligned": 1.2570706605911255,
|
| 46 |
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"num_residues": 218,
|
| 47 |
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"num_cdr_residues": 31
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 916,
|
| 51 |
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"num_gt_atoms": 852,
|
| 52 |
+
"num_aligned_atoms": 852
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 872,
|
| 56 |
+
"num_gt_atoms": 872,
|
| 57 |
+
"num_aligned_atoms": 872
|
| 58 |
+
}
|
| 59 |
+
}
|
7xic_K_L_B_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "7xic_K_L_B_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 0.784417062997818,
|
| 7 |
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"cdr": 1.2643742114305496,
|
| 8 |
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"framework": 0.4046059399843216,
|
| 9 |
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|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 948,
|
| 12 |
+
"num_gt_atoms": 948,
|
| 13 |
+
"num_aligned_atoms": 948,
|
| 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 |
+
"chain_id": "K",
|
| 21 |
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"total": 1.1391104459762573,
|
| 22 |
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"cdr": 2.0662500858306885,
|
| 23 |
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"framework": 0.4131593704223633,
|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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"cdr3": 2.404458999633789,
|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 0.42850178480148315,
|
| 30 |
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|
| 31 |
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"num_residues": 129,
|
| 32 |
+
"num_cdr_residues": 32
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
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"total": 0.42972368001937866,
|
| 37 |
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|
| 38 |
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|
| 39 |
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"cdr_fw_aligned": 0.5370740294456482,
|
| 40 |
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|
| 41 |
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|
| 42 |
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"cdr3": 0.5276267528533936,
|
| 43 |
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"cdr1_fw_aligned": 0.32732093334198,
|
| 44 |
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"cdr2_fw_aligned": 0.3740200996398926,
|
| 45 |
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|
| 46 |
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"num_residues": 108,
|
| 47 |
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"num_cdr_residues": 28
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 516,
|
| 51 |
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"num_gt_atoms": 516,
|
| 52 |
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"num_aligned_atoms": 516
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 432,
|
| 56 |
+
"num_gt_atoms": 432,
|
| 57 |
+
"num_aligned_atoms": 432
|
| 58 |
+
}
|
| 59 |
+
}
|
7xic_K_L_B_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
|
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|
|
|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "7xic_K_L_B_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.1105572879314423,
|
| 7 |
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"cdr": 1.7201526910066605,
|
| 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": 948,
|
| 13 |
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"num_aligned_atoms": 948,
|
| 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 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "K",
|
| 21 |
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"total": 1.759397029876709,
|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
+
"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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"total": 0.46171754598617554,
|
| 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 |
+
"num_aligned_atoms": 432
|
| 58 |
+
}
|
| 59 |
+
}
|
7xic_K_L_B_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
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|
|
|
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|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "7xic_K_L_B_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.4350230693817139,
|
| 7 |
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"cdr": 2.273384213447571,
|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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"num_aligned_atoms": 1803,
|
| 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 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "K",
|
| 21 |
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"total": 1.8564348220825195,
|
| 22 |
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"cdr": 3.204289674758911,
|
| 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": 1.3092803955078125,
|
| 29 |
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"cdr2_fw_aligned": 0.8360626697540283,
|
| 30 |
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"cdr3_fw_aligned": 4.520420551300049,
|
| 31 |
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|
| 32 |
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"num_cdr_residues": 32
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
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"total": 1.0136113166809082,
|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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"cdr2": 0.5087158679962158,
|
| 42 |
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"cdr3": 1.4635472297668457,
|
| 43 |
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"cdr1_fw_aligned": 1.5434519052505493,
|
| 44 |
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"cdr2_fw_aligned": 0.5949273705482483,
|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 967
|
| 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": 836
|
| 58 |
+
}
|
| 59 |
+
}
|
8e1m_H_L_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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|
|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8e1m_H_L_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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|
| 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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"pred_coverage": 0.4789915966386555,
|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 0.4998060464859009,
|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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"cdr_fw_aligned": 0.46573662757873535,
|
| 40 |
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|
| 41 |
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"cdr2": 0.33149611949920654,
|
| 42 |
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"cdr3": 0.27555447816848755,
|
| 43 |
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"cdr1_fw_aligned": 0.4636601507663727,
|
| 44 |
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"cdr2_fw_aligned": 0.4082241952419281,
|
| 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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"num_aligned_atoms": 468
|
| 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": 444,
|
| 57 |
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"num_aligned_atoms": 444
|
| 58 |
+
}
|
| 59 |
+
}
|
8e1m_H_L_C_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8e1m_H_L_C_sample_3",
|
| 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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"num_aligned_atoms": 912,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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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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|
| 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": 444
|
| 58 |
+
}
|
| 59 |
+
}
|
8euq_C_D_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8euq_C_D_AB_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 |
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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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"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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|
| 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": 1624
|
| 58 |
+
}
|
| 59 |
+
}
|
8euq_C_D_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8euq_C_D_AB_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.055461823940277,
|
| 7 |
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"cdr": 1.7035737037658691,
|
| 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": 0.990036231884058,
|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "C",
|
| 21 |
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"total": 2.2902774810791016,
|
| 22 |
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"cdr": 2.2593045234680176,
|
| 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": 3.2445693016052246,
|
| 29 |
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"cdr2_fw_aligned": 2.813948631286621,
|
| 30 |
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"cdr3_fw_aligned": 3.2469582557678223,
|
| 31 |
+
"num_residues": 222,
|
| 32 |
+
"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "D",
|
| 36 |
+
"total": 1.8206461668014526,
|
| 37 |
+
"cdr": 1.1478428840637207,
|
| 38 |
+
"framework": 1.725287675857544,
|
| 39 |
+
"cdr_fw_aligned": 2.715977430343628,
|
| 40 |
+
"cdr1": 1.27821946144104,
|
| 41 |
+
"cdr2": 0.7631672024726868,
|
| 42 |
+
"cdr3": 1.0294406414031982,
|
| 43 |
+
"cdr1_fw_aligned": 3.2310054302215576,
|
| 44 |
+
"cdr2_fw_aligned": 2.1575469970703125,
|
| 45 |
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"cdr3_fw_aligned": 2.3683226108551025,
|
| 46 |
+
"num_residues": 212,
|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 1662,
|
| 51 |
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"num_gt_atoms": 1655,
|
| 52 |
+
"num_aligned_atoms": 1655
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 1650,
|
| 56 |
+
"num_gt_atoms": 1624,
|
| 57 |
+
"num_aligned_atoms": 1624
|
| 58 |
+
}
|
| 59 |
+
}
|
8euq_C_D_AB_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
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|
|
|
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|
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|
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|
|
|
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|
|
|
|
|
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|
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|
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|
|
|
|
|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8euq_C_D_AB_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.7870644330978394,
|
| 7 |
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"cdr": 0.8833341598510742,
|
| 8 |
+
"framework": 1.7161771655082703,
|
| 9 |
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"cdr_fw_aligned": 2.556786298751831
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1748,
|
| 12 |
+
"num_gt_atoms": 1736,
|
| 13 |
+
"num_aligned_atoms": 1736,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9931350114416476,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
+
"total": 2.0519208908081055,
|
| 22 |
+
"cdr": 1.2748470306396484,
|
| 23 |
+
"framework": 1.98179292678833,
|
| 24 |
+
"cdr_fw_aligned": 2.7967000007629395,
|
| 25 |
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"cdr1": 0.19280654191970825,
|
| 26 |
+
"cdr2": 0.1805574595928192,
|
| 27 |
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"cdr3": 1.4648476839065552,
|
| 28 |
+
"cdr1_fw_aligned": 3.323458194732666,
|
| 29 |
+
"cdr2_fw_aligned": 2.9053773880004883,
|
| 30 |
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"cdr3_fw_aligned": 2.383840799331665,
|
| 31 |
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"num_residues": 222,
|
| 32 |
+
"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "D",
|
| 36 |
+
"total": 1.5222079753875732,
|
| 37 |
+
"cdr": 0.4918212890625,
|
| 38 |
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"framework": 1.4505614042282104,
|
| 39 |
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"cdr_fw_aligned": 2.3168725967407227,
|
| 40 |
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"cdr1": 0.3216901123523712,
|
| 41 |
+
"cdr2": 0.5013745427131653,
|
| 42 |
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"cdr3": 0.2852781116962433,
|
| 43 |
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"cdr1_fw_aligned": 2.6165406703948975,
|
| 44 |
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"cdr2_fw_aligned": 2.0730700492858887,
|
| 45 |
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"cdr3_fw_aligned": 2.0960495471954346,
|
| 46 |
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|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 892,
|
| 51 |
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"num_gt_atoms": 888,
|
| 52 |
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"num_aligned_atoms": 888
|
| 53 |
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},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 848,
|
| 57 |
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"num_aligned_atoms": 848
|
| 58 |
+
}
|
| 59 |
+
}
|
8euq_C_D_AB_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
|
|
|
|
|
|
|
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|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8euq_C_D_AB_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.8538485765457153,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 3312,
|
| 12 |
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"num_gt_atoms": 3279,
|
| 13 |
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"num_aligned_atoms": 3279,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.990036231884058,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "C",
|
| 21 |
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"total": 1.978887677192688,
|
| 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": 1.6936343908309937,
|
| 29 |
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"cdr2_fw_aligned": 1.1839169263839722,
|
| 30 |
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|
| 31 |
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"num_residues": 222,
|
| 32 |
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"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"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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"num_cdr_residues": 27
|
| 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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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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|
| 57 |
+
"num_aligned_atoms": 1624
|
| 58 |
+
}
|
| 59 |
+
}
|
8euq_C_D_AB_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
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|
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|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8euq_C_D_AB_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 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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|
| 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": 1624
|
| 58 |
+
}
|
| 59 |
+
}
|
8euq_C_D_AB_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": "8euq_C_D_AB_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.6500383615493774,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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"num_aligned_atoms": 1736,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9931350114416476,
|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"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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"cdr2_fw_aligned": 2.485360860824585,
|
| 30 |
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"cdr3_fw_aligned": 2.2984025478363037,
|
| 31 |
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"num_residues": 222,
|
| 32 |
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"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
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"chain_id": "D",
|
| 36 |
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"total": 1.4344022274017334,
|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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"cdr2": 0.5161576867103577,
|
| 42 |
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|
| 43 |
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"cdr1_fw_aligned": 2.7742135524749756,
|
| 44 |
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"cdr2_fw_aligned": 2.0995545387268066,
|
| 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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"num_pred_atoms": 892,
|
| 51 |
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"num_gt_atoms": 888,
|
| 52 |
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"num_aligned_atoms": 888
|
| 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 |
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}
|
| 59 |
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|
8q7o_A__C_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8q7o_A__C_sample_0",
|
| 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": 904,
|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "A",
|
| 21 |
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|
| 22 |
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|
| 23 |
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"framework": 1.0707488059997559,
|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 0.5849743485450745,
|
| 30 |
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"cdr3_fw_aligned": 1.3616459369659424,
|
| 31 |
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|
| 32 |
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"num_cdr_residues": 23
|
| 33 |
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},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
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"num_gt_atoms": 904,
|
| 37 |
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"num_aligned_atoms": 904
|
| 38 |
+
}
|
| 39 |
+
}
|
8q7o_A__C_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8q7o_A__C_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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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 0.6190284490585327,
|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 23
|
| 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 |
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"num_aligned_atoms": 904
|
| 38 |
+
}
|
| 39 |
+
}
|
8q7o_A__C_sample_1_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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|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8q7o_A__C_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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|
| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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| 20 |
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|
| 21 |
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| 22 |
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| 23 |
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| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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"num_aligned_atoms": 480
|
| 38 |
+
}
|
| 39 |
+
}
|
8q7o_A__C_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8q7o_A__C_sample_2",
|
| 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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| 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 |
+
}
|
| 39 |
+
}
|
8q7o_A__C_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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|
|
| 1 |
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{
|
| 2 |
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"entry": "8q7o_A__C_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"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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|
| 38 |
+
}
|
| 39 |
+
}
|
8q7o_A__C_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
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|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
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|
|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8q7o_A__C_sample_3",
|
| 3 |
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|
| 4 |
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|
| 5 |
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| 6 |
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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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| 23 |
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| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 496,
|
| 36 |
+
"num_gt_atoms": 480,
|
| 37 |
+
"num_aligned_atoms": 480
|
| 38 |
+
}
|
| 39 |
+
}
|
8q7o_A__C_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
|
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|
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|
|
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|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8q7o_A__C_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 0.9153203368186951,
|
| 7 |
+
"cdr": 1.2066024541854858,
|
| 8 |
+
"framework": 0.648894190788269,
|
| 9 |
+
"cdr_fw_aligned": 1.850202202796936
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 496,
|
| 12 |
+
"num_gt_atoms": 480,
|
| 13 |
+
"num_aligned_atoms": 480,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.967741935483871,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "A",
|
| 21 |
+
"total": 0.9153203368186951,
|
| 22 |
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"cdr": 1.2066024541854858,
|
| 23 |
+
"framework": 0.648894190788269,
|
| 24 |
+
"cdr_fw_aligned": 1.850202202796936,
|
| 25 |
+
"cdr1": 0.4694565534591675,
|
| 26 |
+
"cdr2": 0.24512426555156708,
|
| 27 |
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"cdr3": 0.720823347568512,
|
| 28 |
+
"cdr1_fw_aligned": 0.6784161329269409,
|
| 29 |
+
"cdr2_fw_aligned": 0.42801496386528015,
|
| 30 |
+
"cdr3_fw_aligned": 2.6041390895843506,
|
| 31 |
+
"num_residues": 120,
|
| 32 |
+
"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 496,
|
| 36 |
+
"num_gt_atoms": 480,
|
| 37 |
+
"num_aligned_atoms": 480
|
| 38 |
+
}
|
| 39 |
+
}
|
8q7s_F__D_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
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|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8q7s_F__D_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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"cdr_fw_aligned": 2.537604808807373
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 524,
|
| 12 |
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"num_gt_atoms": 512,
|
| 13 |
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"num_aligned_atoms": 512,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9770992366412213,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "F",
|
| 21 |
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"total": 1.2651408910751343,
|
| 22 |
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"cdr": 2.0986156463623047,
|
| 23 |
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"framework": 0.5102338194847107,
|
| 24 |
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"cdr_fw_aligned": 2.537604808807373,
|
| 25 |
+
"cdr1": 2.1809988021850586,
|
| 26 |
+
"cdr2": 0.19491620361804962,
|
| 27 |
+
"cdr3": 1.67873215675354,
|
| 28 |
+
"cdr1_fw_aligned": 4.180795669555664,
|
| 29 |
+
"cdr2_fw_aligned": 0.6320874094963074,
|
| 30 |
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"cdr3_fw_aligned": 2.0687077045440674,
|
| 31 |
+
"num_residues": 128,
|
| 32 |
+
"num_cdr_residues": 32
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 524,
|
| 36 |
+
"num_gt_atoms": 512,
|
| 37 |
+
"num_aligned_atoms": 512
|
| 38 |
+
}
|
| 39 |
+
}
|
8q7s_F__D_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
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|
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|
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|
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|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8q7s_F__D_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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"cdr_fw_aligned": 2.870128870010376
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 524,
|
| 12 |
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"num_gt_atoms": 512,
|
| 13 |
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"num_aligned_atoms": 512,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9770992366412213,
|
| 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": "F",
|
| 21 |
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"total": 1.4172253608703613,
|
| 22 |
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"cdr": 2.314513921737671,
|
| 23 |
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"framework": 0.5381397008895874,
|
| 24 |
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"cdr_fw_aligned": 2.870128870010376,
|
| 25 |
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"cdr1": 2.1861534118652344,
|
| 26 |
+
"cdr2": 0.31356319785118103,
|
| 27 |
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"cdr3": 1.8842116594314575,
|
| 28 |
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"cdr1_fw_aligned": 4.026532173156738,
|
| 29 |
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"cdr2_fw_aligned": 0.6510351300239563,
|
| 30 |
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"cdr3_fw_aligned": 2.7869110107421875,
|
| 31 |
+
"num_residues": 128,
|
| 32 |
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"num_cdr_residues": 32
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 524,
|
| 36 |
+
"num_gt_atoms": 512,
|
| 37 |
+
"num_aligned_atoms": 512
|
| 38 |
+
}
|
| 39 |
+
}
|
8q7s_F__D_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
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|
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|
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|
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|
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|
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|
|
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|
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|
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|
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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": "8q7s_F__D_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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"num_gt_atoms": 966,
|
| 13 |
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"num_aligned_atoms": 966,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9807106598984772,
|
| 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": "F",
|
| 21 |
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"total": 1.9986255168914795,
|
| 22 |
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|
| 23 |
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|
| 24 |
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"cdr_fw_aligned": 3.575148820877075,
|
| 25 |
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"cdr1": 4.2168869972229,
|
| 26 |
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"cdr2": 2.233943462371826,
|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 32
|
| 33 |
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},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
+
"num_gt_atoms": 966,
|
| 37 |
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"num_aligned_atoms": 966
|
| 38 |
+
}
|
| 39 |
+
}
|
8q94_C__A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
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|
|
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|
|
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|
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|
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|
|
|
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|
|
|
|
|
|
|
|
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|
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|
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|
|
|
|
|
|
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|
|
|
|
|
|
|
|
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|
|
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|
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|
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|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8q94_C__A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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"cdr": 2.582559585571289,
|
| 8 |
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|
| 9 |
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"cdr_fw_aligned": 2.8083114624023438
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 528,
|
| 12 |
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"num_gt_atoms": 508,
|
| 13 |
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"num_aligned_atoms": 508,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9621212121212122,
|
| 16 |
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|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
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"total": 1.5668410062789917,
|
| 22 |
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"cdr": 2.582559585571289,
|
| 23 |
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"framework": 0.8500591516494751,
|
| 24 |
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"cdr_fw_aligned": 2.8083114624023438,
|
| 25 |
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"cdr1": 1.6393433809280396,
|
| 26 |
+
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|
| 27 |
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"cdr3": 2.2339391708374023,
|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 32
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
+
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|
| 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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|
|
|
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|
|
|
|
|
|
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|
|
|
|
|
|
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|
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|
|
|
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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": "8qf5_G__H_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"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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"cdr_fw_aligned": 6.887815475463867
|
| 10 |
+
},
|
| 11 |
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"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": 2.969588041305542,
|
| 22 |
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"cdr": 3.780764579772949,
|
| 23 |
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"framework": 1.5873351097106934,
|
| 24 |
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|
| 25 |
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"cdr1": 2.305879592895508,
|
| 26 |
+
"cdr2": 0.15341612696647644,
|
| 27 |
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"cdr3": 2.4428420066833496,
|
| 28 |
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"cdr1_fw_aligned": 3.6303203105926514,
|
| 29 |
+
"cdr2_fw_aligned": 0.41799798607826233,
|
| 30 |
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"cdr3_fw_aligned": 9.749849319458008,
|
| 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 |
+
}
|
8qf5_G__H_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8qf5_G__H_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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| 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": 894
|
| 38 |
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}
|
| 39 |
+
}
|
8qot_B__A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
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|
|
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|
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|
|
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|
|
|
|
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|
|
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|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8qot_B__A_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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|
| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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"num_aligned_atoms": 500
|
| 38 |
+
}
|
| 39 |
+
}
|
8qot_B__A_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
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|
|
|
|
|
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|
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|
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|
|
|
|
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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": "8qot_B__A_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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|
| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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| 22 |
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|
| 23 |
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| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
+
}
|
| 39 |
+
}
|
8qot_B__A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
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|
|
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|
|
|
|
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|
|
|
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|
|
|
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|
|
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|
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|
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|
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|
|
|
|
|
|
|
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|
|
|
|
|
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|
|
|
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|
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|
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|
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|
|
|
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|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8qot_B__A_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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|
| 5 |
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|
| 6 |
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| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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| 24 |
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|
| 25 |
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|
| 26 |
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| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
+
}
|
| 39 |
+
}
|
8qq0_E_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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|
| 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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| 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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| 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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|
8qq0_E_D_A_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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|
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|
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|
|
| 1 |
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{
|
| 2 |
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"entry": "8qq0_E_D_A_sample_4",
|
| 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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| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 26
|
| 33 |
+
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|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "D",
|
| 36 |
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"total": 2.7118711471557617,
|
| 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": 1.6648554801940918,
|
| 45 |
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"cdr3_fw_aligned": 2.5010597705841064,
|
| 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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|
| 52 |
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"num_aligned_atoms": 928
|
| 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": 814
|
| 58 |
+
}
|
| 59 |
+
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|
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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|
|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz1_C__B_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 544,
|
| 12 |
+
"num_gt_atoms": 516,
|
| 13 |
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"num_aligned_atoms": 516,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9485294117647058,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
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"total": 1.2473145723342896,
|
| 22 |
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"cdr": 1.6603410243988037,
|
| 23 |
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"framework": 0.9424048662185669,
|
| 24 |
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"cdr_fw_aligned": 2.103853464126587,
|
| 25 |
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"cdr1": 2.362311363220215,
|
| 26 |
+
"cdr2": 0.2254849672317505,
|
| 27 |
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"cdr3": 0.6156043410301208,
|
| 28 |
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"cdr1_fw_aligned": 3.7352449893951416,
|
| 29 |
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"cdr2_fw_aligned": 1.6745893955230713,
|
| 30 |
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"cdr3_fw_aligned": 1.037424087524414,
|
| 31 |
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|
| 32 |
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"num_cdr_residues": 30
|
| 33 |
+
},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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"num_pred_atoms": 544,
|
| 36 |
+
"num_gt_atoms": 516,
|
| 37 |
+
"num_aligned_atoms": 516
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz3_C__B_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
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|
|
|
|
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|
|
|
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|
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|
|
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|
|
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|
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|
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|
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|
|
|
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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": "8qz3_C__B_sample_0",
|
| 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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"num_pred_atoms": 548,
|
| 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": 0.927007299270073,
|
| 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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"cdr": 1.2195799350738525,
|
| 23 |
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"framework": 0.5707637667655945,
|
| 24 |
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"cdr_fw_aligned": 1.2471516132354736,
|
| 25 |
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"cdr1": 1.1480164527893066,
|
| 26 |
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"cdr2": 0.251187264919281,
|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 1.505595326423645,
|
| 29 |
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"cdr2_fw_aligned": 0.7458236217498779,
|
| 30 |
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"cdr3_fw_aligned": 1.2695519924163818,
|
| 31 |
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"num_residues": 127,
|
| 32 |
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"num_cdr_residues": 31
|
| 33 |
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},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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"num_pred_atoms": 548,
|
| 36 |
+
"num_gt_atoms": 508,
|
| 37 |
+
"num_aligned_atoms": 508
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz3_C__B_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
+
"entry": "8qz3_C__B_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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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "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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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
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"num_gt_atoms": 508,
|
| 37 |
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"num_aligned_atoms": 508
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz3_C__B_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
+
"entry": "8qz3_C__B_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 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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"cdr1": 3.153649091720581,
|
| 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 |
+
}
|
| 39 |
+
}
|
8qz6_B__A_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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|
| 1 |
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{
|
| 2 |
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"entry": "8qz6_B__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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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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"cdr1": 1.3017834424972534,
|
| 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 |
+
}
|
| 39 |
+
}
|
8qz6_B__A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
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|
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|
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|
| 1 |
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{
|
| 2 |
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"entry": "8qz6_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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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.8605089538171536,
|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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"total": 1.4711837768554688,
|
| 22 |
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|
| 23 |
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"framework": 1.088972806930542,
|
| 24 |
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"cdr_fw_aligned": 2.3149826526641846,
|
| 25 |
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"cdr1": 1.6129577159881592,
|
| 26 |
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"cdr2": 0.3279205858707428,
|
| 27 |
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"cdr3": 2.150812864303589,
|
| 28 |
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"cdr1_fw_aligned": 1.7665539979934692,
|
| 29 |
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"cdr2_fw_aligned": 0.4492054879665375,
|
| 30 |
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"cdr3_fw_aligned": 2.8258049488067627,
|
| 31 |
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"num_residues": 124,
|
| 32 |
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"num_cdr_residues": 30
|
| 33 |
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},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
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"num_gt_atoms": 913,
|
| 37 |
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"num_aligned_atoms": 913
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz6_B__A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz6_B__A_sample_1",
|
| 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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|
| 9 |
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"cdr_fw_aligned": 1.7272921800613403
|
| 10 |
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},
|
| 11 |
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|
| 12 |
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"num_gt_atoms": 496,
|
| 13 |
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"num_aligned_atoms": 496,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9117647058823529,
|
| 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 |
+
"chain_id": "B",
|
| 21 |
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"total": 0.9709164500236511,
|
| 22 |
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"cdr": 1.3883875608444214,
|
| 23 |
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"framework": 0.662241518497467,
|
| 24 |
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"cdr_fw_aligned": 1.7272921800613403,
|
| 25 |
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"cdr1": 0.4533233344554901,
|
| 26 |
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"cdr2": 0.22754064202308655,
|
| 27 |
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"cdr3": 1.0529754161834717,
|
| 28 |
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"cdr1_fw_aligned": 0.5605170726776123,
|
| 29 |
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"cdr2_fw_aligned": 0.36638596653938293,
|
| 30 |
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"cdr3_fw_aligned": 2.2557342052459717,
|
| 31 |
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|
| 32 |
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"num_cdr_residues": 30
|
| 33 |
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},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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"num_pred_atoms": 544,
|
| 36 |
+
"num_gt_atoms": 496,
|
| 37 |
+
"num_aligned_atoms": 496
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz6_B__A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz6_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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|
| 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": 913,
|
| 13 |
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"num_aligned_atoms": 913,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.8605089538171536,
|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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"total": 1.9045358896255493,
|
| 22 |
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"cdr": 3.122012138366699,
|
| 23 |
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"framework": 1.1038669347763062,
|
| 24 |
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|
| 25 |
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"cdr1": 1.4889042377471924,
|
| 26 |
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"cdr2": 0.42399027943611145,
|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 1.6057857275009155,
|
| 29 |
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"cdr2_fw_aligned": 0.5261980891227722,
|
| 30 |
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"cdr3_fw_aligned": 4.262327671051025,
|
| 31 |
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"num_residues": 124,
|
| 32 |
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"num_cdr_residues": 30
|
| 33 |
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},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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"num_pred_atoms": 1061,
|
| 36 |
+
"num_gt_atoms": 913,
|
| 37 |
+
"num_aligned_atoms": 913
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz6_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8qz6_B__A_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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|
| 22 |
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|
| 23 |
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| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 1.157584547996521,
|
| 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 |
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"num_aligned_atoms": 913
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz6_B__A_sample_4_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz6_B__A_sample_4",
|
| 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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"num_gt_atoms": 496,
|
| 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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|
| 38 |
+
}
|
| 39 |
+
}
|
8qz7_B__A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
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|
|
|
|
|
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|
|
|
|
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|
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|
|
|
|
|
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|
|
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|
|
|
|
|
|
|
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|
|
|
|
|
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|
|
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|
|
|
|
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|
|
|
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|
|
|
|
|
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|
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|
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|
|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8qz7_B__A_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 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 |
+
}
|
8r1c_H_L_A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
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|
|
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|
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|
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|
| 1 |
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{
|
| 2 |
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"entry": "8r1c_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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"total": 1.4284499883651733,
|
| 7 |
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|
| 8 |
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"framework": 0.9851571023464203,
|
| 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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"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": "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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| 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": 795
|
| 58 |
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}
|
| 59 |
+
}
|
8r1c_H_L_A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
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|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8r1c_H_L_A_sample_1",
|
| 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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| 6 |
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| 7 |
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| 8 |
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| 9 |
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| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 41 |
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|
| 42 |
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|
| 43 |
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| 44 |
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| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 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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}
|
8r1c_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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|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8r1c_H_L_A_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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| 15 |
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| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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| 20 |
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|
| 21 |
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|
| 22 |
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| 23 |
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| 24 |
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| 25 |
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| 26 |
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| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 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 |
+
}
|
8r1c_H_L_A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
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|
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|
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|
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|
|
|
|
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|
|
|
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|
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|
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|
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|
|
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|
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|
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|
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|
|
|
| 1 |
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{
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| 2 |
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"entry": "8r1c_H_L_A_sample_2",
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| 3 |
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"success": true,
|
| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 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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|
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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| 37 |
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| 44 |
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| 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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|
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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 |
+
}
|
8r1c_H_L_A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
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|
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|
|
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|
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|
|
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|
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|
|
|
|
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|
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|
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|
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|
|
|
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|
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|
|
|
|
|
|
|
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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": "8r1c_H_L_A_sample_3",
|
| 3 |
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|
| 4 |
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|
| 5 |
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| 6 |
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|
| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 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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"total": 0.8997595906257629,
|
| 37 |
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"cdr": 0.6832542419433594,
|
| 38 |
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"framework": 0.9476428031921387,
|
| 39 |
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"cdr_fw_aligned": 0.8095219135284424,
|
| 40 |
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"cdr1": 0.6116686463356018,
|
| 41 |
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"cdr2": 0.49056801199913025,
|
| 42 |
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"cdr3": 0.8598775863647461,
|
| 43 |
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"cdr1_fw_aligned": 0.7689720988273621,
|
| 44 |
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"cdr2_fw_aligned": 0.5813896059989929,
|
| 45 |
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"cdr3_fw_aligned": 1.005549430847168,
|
| 46 |
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"num_residues": 109,
|
| 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": 931,
|
| 51 |
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"num_gt_atoms": 931,
|
| 52 |
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"num_aligned_atoms": 931
|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 804,
|
| 56 |
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"num_gt_atoms": 795,
|
| 57 |
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"num_aligned_atoms": 795
|
| 58 |
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}
|
| 59 |
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}
|