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- 7vgs_D_C_A_sample_3_rmsd_backbone.json +59 -0
- 7xic_K_L_B_sample_0_rmsd.json +59 -0
- 7xic_K_L_B_sample_1_rmsd.json +59 -0
- 7xic_K_L_B_sample_2_rmsd.json +59 -0
- 7xic_K_L_B_sample_3_rmsd.json +59 -0
- 8euq_C_D_AB_sample_3_rmsd_backbone.json +59 -0
- 8euq_C_D_AB_sample_4_rmsd.json +59 -0
- 8q7o_A__C_sample_4_rmsd.json +39 -0
- 8q7s_F__D_sample_0_rmsd.json +39 -0
- 8q7s_F__D_sample_1_rmsd.json +39 -0
- 8q7s_F__D_sample_3_rmsd.json +39 -0
- 8q94_C__A_sample_3_rmsd_backbone.json +39 -0
- 8qf5_G__H_sample_0_rmsd.json +39 -0
- 8qf5_G__H_sample_0_rmsd_backbone.json +39 -0
- 8qf5_G__H_sample_1_rmsd.json +39 -0
- 8qf5_G__H_sample_2_rmsd.json +39 -0
- 8qot_B__A_sample_1_rmsd.json +39 -0
- 8qot_B__A_sample_1_rmsd_backbone.json +39 -0
- 8qot_B__A_sample_2_rmsd.json +39 -0
- 8qot_B__A_sample_3_rmsd.json +39 -0
- 8qq0_E_D_A_sample_0_rmsd.json +59 -0
- 8qq0_E_D_A_sample_1_rmsd.json +59 -0
- 8qq0_E_D_A_sample_2_rmsd.json +59 -0
- 8qq0_E_D_A_sample_3_rmsd.json +59 -0
- 8qq0_E_D_A_sample_4_rmsd_backbone.json +59 -0
- 8qz1_C__B_sample_1_rmsd_backbone.json +39 -0
- 8qz3_C__B_sample_0_rmsd.json +39 -0
- 8qz3_C__B_sample_2_rmsd.json +39 -0
- 8qz3_C__B_sample_3_rmsd.json +39 -0
- 8qz7_B__A_sample_3_rmsd_backbone.json +39 -0
- 8r1c_H_L_A_sample_3_rmsd_backbone.json +59 -0
- 8r40_A_a_C_sample_1_rmsd_backbone.json +59 -0
- 8r4b_B__A_sample_4_rmsd.json +39 -0
- 8r4d_B__A_sample_1_rmsd_backbone.json +39 -0
- 8r80_H_L_R_sample_2_rmsd_backbone.json +59 -0
- 8r9y_H_L_A_sample_0_rmsd.json +59 -0
- 8r9y_H_L_A_sample_1_rmsd.json +59 -0
- 8r9y_H_L_A_sample_1_rmsd_backbone.json +59 -0
- 8r9y_H_L_A_sample_2_rmsd.json +59 -0
- 8r9y_H_L_A_sample_3_rmsd.json +59 -0
- 8r9z_H_L_A_sample_0_rmsd.json +59 -0
- 8r9z_H_L_A_sample_1_rmsd_backbone.json +59 -0
- 8r9z_H_L_A_sample_2_rmsd.json +59 -0
- 8r9z_H_L_A_sample_3_rmsd.json +59 -0
- 8rek_H_L_A_sample_2_rmsd_backbone.json +59 -0
- 8rh0_H_L_A_sample_4_rmsd.json +59 -0
- 8rh2_H_L_B_sample_1_rmsd_backbone.json +59 -0
- 8rvn_H_L_F_sample_2_rmsd_backbone.json +59 -0
- 8rvn_H_L_F_sample_4_rmsd.json +59 -0
- 8rz1_A_a_B_sample_0_rmsd_backbone.json +59 -0
7vgs_D_C_A_sample_3_rmsd_backbone.json
ADDED
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{
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"entry": "7vgs_D_C_A_sample_3",
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"pred_coverage": 0.9642058165548099,
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"cdr3_fw_aligned": 0.8606938123703003,
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"num_residues": 213,
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"num_cdr_residues": 17
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"light_chain": {
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"chain_id": "C",
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"total": 1.5300787687301636,
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"cdr": 1.3065739870071411,
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"framework": 1.3634976148605347,
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"num_residues": 218,
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"num_cdr_residues": 31
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"heavy_chain_atom_counts": {
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"num_pred_atoms": 916,
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7xic_K_L_B_sample_0_rmsd.json
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{
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"entry": "7xic_K_L_B_sample_0",
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"success": true,
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"error": null,
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"rmsd": {
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"num_pred_atoms": 1803,
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"num_aligned_atoms": 1803,
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"alignment_coverage": {
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| 15 |
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"pred_coverage": 1.0,
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| 16 |
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"gt_coverage": 1.0,
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| 17 |
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"full_coverage": true
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| 18 |
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"heavy_chain": {
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| 20 |
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"chain_id": "K",
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| 58 |
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}
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| 59 |
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}
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7xic_K_L_B_sample_1_rmsd.json
ADDED
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{
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| 58 |
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}
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| 59 |
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}
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7xic_K_L_B_sample_2_rmsd.json
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{
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"entry": "7xic_K_L_B_sample_2",
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"success": true,
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| 4 |
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"error": null,
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| 5 |
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"rmsd": {
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| 6 |
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"total": 1.6256246268749237,
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| 7 |
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"cdr": 2.5177721977233887,
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| 8 |
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"framework": 0.8199903070926666,
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"cdr_fw_aligned": 2.9079142212867737
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| 10 |
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},
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| 11 |
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"num_pred_atoms": 1803,
|
| 12 |
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"num_gt_atoms": 1803,
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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 |
+
},
|
| 19 |
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|
| 20 |
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"chain_id": "K",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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|
| 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": 836
|
| 58 |
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}
|
| 59 |
+
}
|
7xic_K_L_B_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": "7xic_K_L_B_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": true
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "K",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 32
|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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"cdr2_fw_aligned": 0.7374522686004639,
|
| 45 |
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"cdr3_fw_aligned": 1.4944850206375122,
|
| 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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|
| 58 |
+
}
|
| 59 |
+
}
|
8euq_C_D_AB_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 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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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "C",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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|
| 35 |
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|
| 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": 848
|
| 58 |
+
}
|
| 59 |
+
}
|
8euq_C_D_AB_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 |
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"entry": "8euq_C_D_AB_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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|
| 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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|
| 25 |
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| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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| 38 |
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| 40 |
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|
| 42 |
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|
| 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 |
+
}
|
8q7o_A__C_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8q7o_A__C_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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"cdr3_fw_aligned": 3.1748058795928955,
|
| 31 |
+
"num_residues": 120,
|
| 32 |
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"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
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"num_pred_atoms": 931,
|
| 36 |
+
"num_gt_atoms": 904,
|
| 37 |
+
"num_aligned_atoms": 904
|
| 38 |
+
}
|
| 39 |
+
}
|
8q7s_F__D_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8q7s_F__D_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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"cdr": 3.5468406677246094,
|
| 8 |
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"framework": 1.1298314332962036,
|
| 9 |
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"cdr_fw_aligned": 3.9233880043029785
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 985,
|
| 12 |
+
"num_gt_atoms": 966,
|
| 13 |
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|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9807106598984772,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
+
"chain_id": "F",
|
| 21 |
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"total": 2.142895460128784,
|
| 22 |
+
"cdr": 3.5468406677246094,
|
| 23 |
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"framework": 1.1298314332962036,
|
| 24 |
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"cdr_fw_aligned": 3.9233880043029785,
|
| 25 |
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"cdr1": 4.180289268493652,
|
| 26 |
+
"cdr2": 1.5003740787506104,
|
| 27 |
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"cdr3": 3.110701560974121,
|
| 28 |
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"cdr1_fw_aligned": 5.839197635650635,
|
| 29 |
+
"cdr2_fw_aligned": 1.7357490062713623,
|
| 30 |
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"cdr3_fw_aligned": 3.4636003971099854,
|
| 31 |
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"num_residues": 128,
|
| 32 |
+
"num_cdr_residues": 32
|
| 33 |
+
},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 985,
|
| 36 |
+
"num_gt_atoms": 966,
|
| 37 |
+
"num_aligned_atoms": 966
|
| 38 |
+
}
|
| 39 |
+
}
|
8q7s_F__D_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8q7s_F__D_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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"num_gt_atoms": 966,
|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9807106598984772,
|
| 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": "F",
|
| 21 |
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"total": 1.9563406705856323,
|
| 22 |
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"cdr": 3.112250566482544,
|
| 23 |
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"framework": 1.107595443725586,
|
| 24 |
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"cdr_fw_aligned": 3.468007802963257,
|
| 25 |
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"cdr1": 4.136290073394775,
|
| 26 |
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"cdr2": 1.5560396909713745,
|
| 27 |
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"cdr3": 2.0062553882598877,
|
| 28 |
+
"cdr1_fw_aligned": 5.9485249519348145,
|
| 29 |
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"cdr2_fw_aligned": 1.7684791088104248,
|
| 30 |
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"cdr3_fw_aligned": 2.3190252780914307,
|
| 31 |
+
"num_residues": 128,
|
| 32 |
+
"num_cdr_residues": 32
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
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"num_pred_atoms": 985,
|
| 36 |
+
"num_gt_atoms": 966,
|
| 37 |
+
"num_aligned_atoms": 966
|
| 38 |
+
}
|
| 39 |
+
}
|
8q7s_F__D_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
|
|
|
|
|
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|
|
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|
|
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|
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|
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|
|
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|
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|
|
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|
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|
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|
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|
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|
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|
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|
|
|
|
|
|
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|
|
|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8q7s_F__D_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": "F",
|
| 21 |
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|
| 22 |
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|
| 23 |
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"framework": 1.1414495706558228,
|
| 24 |
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"cdr_fw_aligned": 3.9098167419433594,
|
| 25 |
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"cdr1": 4.087128162384033,
|
| 26 |
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"cdr2": 1.6128336191177368,
|
| 27 |
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|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 2.0806429386138916,
|
| 30 |
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"cdr3_fw_aligned": 3.5065464973449707,
|
| 31 |
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"num_residues": 128,
|
| 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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"num_pred_atoms": 985,
|
| 36 |
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"num_gt_atoms": 966,
|
| 37 |
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"num_aligned_atoms": 966
|
| 38 |
+
}
|
| 39 |
+
}
|
8q94_C__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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|
|
|
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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_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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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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"chain_id": "C",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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"num_aligned_atoms": 508
|
| 38 |
+
}
|
| 39 |
+
}
|
8qf5_G__H_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
|
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|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qf5_G__H_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": 894,
|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 1.0,
|
| 16 |
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|
| 17 |
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"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "G",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
+
},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
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"num_gt_atoms": 894,
|
| 37 |
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"num_aligned_atoms": 894
|
| 38 |
+
}
|
| 39 |
+
}
|
8qf5_G__H_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qf5_G__H_sample_0",
|
| 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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"num_gt_atoms": 480,
|
| 13 |
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"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 |
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"total": 2.7980499267578125,
|
| 22 |
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"cdr": 3.3981494903564453,
|
| 23 |
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"framework": 1.9207684993743896,
|
| 24 |
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|
| 25 |
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"cdr1": 2.248518228530884,
|
| 26 |
+
"cdr2": 0.12782174348831177,
|
| 27 |
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"cdr3": 2.8042221069335938,
|
| 28 |
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"cdr1_fw_aligned": 3.353163957595825,
|
| 29 |
+
"cdr2_fw_aligned": 0.4991653859615326,
|
| 30 |
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"cdr3_fw_aligned": 8.040970802307129,
|
| 31 |
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"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_1_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
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|
|
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|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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| 3 |
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|
| 4 |
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|
| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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| 10 |
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| 11 |
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| 12 |
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| 13 |
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| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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| 19 |
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| 20 |
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| 21 |
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| 22 |
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| 23 |
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| 24 |
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| 25 |
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| 26 |
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| 27 |
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| 28 |
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| 29 |
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| 30 |
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| 31 |
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| 32 |
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| 33 |
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| 34 |
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| 35 |
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| 36 |
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|
| 37 |
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|
| 38 |
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}
|
| 39 |
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|
8qf5_G__H_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8qf5_G__H_sample_2",
|
| 3 |
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|
| 4 |
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|
| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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| 27 |
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| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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"num_aligned_atoms": 894
|
| 38 |
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}
|
| 39 |
+
}
|
8qot_B__A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8qot_B__A_sample_1",
|
| 3 |
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|
| 4 |
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|
| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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"num_aligned_atoms": 948
|
| 38 |
+
}
|
| 39 |
+
}
|
8qot_B__A_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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|
|
|
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|
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|
|
|
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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_1",
|
| 3 |
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|
| 4 |
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|
| 5 |
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|
| 6 |
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|
| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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"num_aligned_atoms": 500
|
| 38 |
+
}
|
| 39 |
+
}
|
8qot_B__A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8qot_B__A_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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|
| 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_3_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
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|
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|
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|
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|
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|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
| 1 |
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{
|
| 2 |
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"entry": "8qot_B__A_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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|
| 22 |
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|
| 23 |
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"framework": 1.1527773141860962,
|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
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|
| 37 |
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"num_aligned_atoms": 948
|
| 38 |
+
}
|
| 39 |
+
}
|
8qq0_E_D_A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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|
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|
| 1 |
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| 2 |
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| 3 |
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| 4 |
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| 15 |
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| 17 |
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| 18 |
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| 19 |
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| 20 |
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| 21 |
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| 22 |
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| 25 |
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| 27 |
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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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| 49 |
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| 58 |
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|
| 59 |
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|
8qq0_E_D_A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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|
| 1 |
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{
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| 2 |
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| 3 |
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| 4 |
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| 6 |
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| 13 |
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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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| 33 |
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| 34 |
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| 35 |
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| 36 |
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| 49 |
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| 53 |
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| 54 |
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| 58 |
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|
| 59 |
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|
8qq0_E_D_A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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|
| 1 |
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{
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| 2 |
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| 3 |
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|
| 4 |
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| 5 |
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| 12 |
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| 13 |
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| 14 |
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|
| 15 |
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| 17 |
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|
| 18 |
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| 19 |
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| 20 |
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| 21 |
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| 31 |
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|
| 33 |
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|
| 34 |
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| 35 |
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| 48 |
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| 49 |
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| 53 |
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| 54 |
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|
| 58 |
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|
| 59 |
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|
8qq0_E_D_A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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|
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|
| 1 |
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{
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| 2 |
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| 3 |
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| 4 |
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| 5 |
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| 7 |
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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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| 21 |
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|
| 31 |
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|
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|
| 33 |
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|
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|
| 48 |
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|
| 58 |
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|
| 59 |
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}
|
8qq0_E_D_A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
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|
| 1 |
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{
|
| 2 |
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| 3 |
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| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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| 23 |
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| 24 |
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|
| 25 |
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| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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"chain_id": "D",
|
| 36 |
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|
| 37 |
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|
| 38 |
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| 39 |
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|
| 40 |
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|
| 41 |
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| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 480
|
| 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 |
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}
|
| 59 |
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|
8qz1_C__B_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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|
|
|
|
|
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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": "8qz1_C__B_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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| 6 |
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| 7 |
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|
| 8 |
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|
| 9 |
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"cdr_fw_aligned": 2.161146640777588
|
| 10 |
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|
| 11 |
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"num_pred_atoms": 544,
|
| 12 |
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"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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|
| 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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"total": 1.5147061347961426,
|
| 22 |
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"cdr": 1.690876841545105,
|
| 23 |
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"framework": 1.3204319477081299,
|
| 24 |
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"cdr_fw_aligned": 2.161146640777588,
|
| 25 |
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"cdr1": 2.3810627460479736,
|
| 26 |
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"cdr2": 0.28016534447669983,
|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 3.805650234222412,
|
| 29 |
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"cdr2_fw_aligned": 2.077047824859619,
|
| 30 |
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"cdr3_fw_aligned": 0.8694462180137634,
|
| 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": 516,
|
| 37 |
+
"num_aligned_atoms": 516
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz3_C__B_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
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|
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|
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|
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|
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|
|
|
|
|
|
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|
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|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"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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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9145299145299145,
|
| 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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"total": 1.5246294736862183,
|
| 22 |
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"cdr": 2.2970361709594727,
|
| 23 |
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"framework": 1.1424524784088135,
|
| 24 |
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"cdr_fw_aligned": 2.3506970405578613,
|
| 25 |
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"cdr1": 3.0207607746124268,
|
| 26 |
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"cdr2": 0.566125750541687,
|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 3.9187374114990234,
|
| 29 |
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"cdr2_fw_aligned": 0.9859247207641602,
|
| 30 |
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"cdr3_fw_aligned": 1.689443826675415,
|
| 31 |
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"num_residues": 127,
|
| 32 |
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"num_cdr_residues": 31
|
| 33 |
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},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
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"num_pred_atoms": 1053,
|
| 36 |
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"num_gt_atoms": 963,
|
| 37 |
+
"num_aligned_atoms": 963
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz3_C__B_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
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|
|
|
|
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|
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|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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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": "8qz3_C__B_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9145299145299145,
|
| 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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"cdr1": 3.1542768478393555,
|
| 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": 31
|
| 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": 963,
|
| 37 |
+
"num_aligned_atoms": 963
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz3_C__B_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz3_C__B_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 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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"chain_id": "C",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
+
}
|
| 39 |
+
}
|
8qz7_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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|
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|
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|
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|
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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": "8qz7_B__A_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 0.9933105707168579,
|
| 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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"num_aligned_atoms": 496,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9117647058823529,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
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"total": 0.9933105707168579,
|
| 22 |
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"cdr": 1.5769702196121216,
|
| 23 |
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"framework": 0.6162738800048828,
|
| 24 |
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"cdr_fw_aligned": 1.7192550897598267,
|
| 25 |
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"cdr1": 0.8327922224998474,
|
| 26 |
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"cdr2": 0.25253453850746155,
|
| 27 |
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"cdr3": 1.3552472591400146,
|
| 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": 30
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
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"num_gt_atoms": 496,
|
| 37 |
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"num_aligned_atoms": 496
|
| 38 |
+
}
|
| 39 |
+
}
|
8r1c_H_L_A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"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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"full_coverage": false
|
| 18 |
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|
| 19 |
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|
| 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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"num_cdr_residues": 28
|
| 33 |
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|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 41 |
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| 42 |
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| 43 |
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| 44 |
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| 45 |
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| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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| 51 |
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|
| 52 |
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| 53 |
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| 54 |
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| 55 |
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| 56 |
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| 57 |
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|
| 58 |
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|
| 59 |
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|
8r40_A_a_C_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
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|
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|
|
|
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|
|
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|
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|
|
|
|
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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": "8r40_A_a_C_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 16.86109161376953,
|
| 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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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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|
| 35 |
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"chain_id": "A",
|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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| 40 |
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| 41 |
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| 42 |
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|
| 43 |
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|
| 44 |
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|
| 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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|
8r4b_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 |
+
{
|
| 2 |
+
"entry": "8r4b_B__A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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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 |
+
}
|
8r4d_B__A_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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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
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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": "8r4d_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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|
| 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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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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"cdr2": 2.412484884262085,
|
| 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": 28
|
| 33 |
+
},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
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"num_gt_atoms": 428,
|
| 37 |
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"num_aligned_atoms": 428
|
| 38 |
+
}
|
| 39 |
+
}
|
8r80_H_L_R_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
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|
|
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|
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|
|
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|
|
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|
|
|
|
|
|
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|
|
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|
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|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
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|
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|
|
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|
|
|
|
|
|
|
|
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|
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|
|
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|
|
|
|
|
|
|
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|
|
|
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|
|
|
|
|
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|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8r80_H_L_R_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.1463173627853394,
|
| 7 |
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|
| 8 |
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"framework": 0.8862126469612122,
|
| 9 |
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"cdr_fw_aligned": 2.5168802738189697
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 1752,
|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9908675799086758,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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"total": 1.5102287530899048,
|
| 22 |
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|
| 23 |
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|
| 24 |
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"cdr_fw_aligned": 3.5682365894317627,
|
| 25 |
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|
| 26 |
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|
| 27 |
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"cdr3": 2.7270257472991943,
|
| 28 |
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"cdr1_fw_aligned": 1.390859603881836,
|
| 29 |
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"cdr2_fw_aligned": 1.646822452545166,
|
| 30 |
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"cdr3_fw_aligned": 4.915111064910889,
|
| 31 |
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"num_residues": 220,
|
| 32 |
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"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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"total": 0.7824059724807739,
|
| 37 |
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"cdr": 0.6758542060852051,
|
| 38 |
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"framework": 0.6858842372894287,
|
| 39 |
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"cdr_fw_aligned": 1.4655239582061768,
|
| 40 |
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"cdr1": 0.36724722385406494,
|
| 41 |
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"cdr2": 0.2935006022453308,
|
| 42 |
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|
| 43 |
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|
| 44 |
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"cdr2_fw_aligned": 1.0215177536010742,
|
| 45 |
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|
| 46 |
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"num_residues": 214,
|
| 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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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 856
|
| 58 |
+
}
|
| 59 |
+
}
|
8r9y_H_L_A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
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|
|
| 1 |
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{
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| 2 |
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| 3 |
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| 4 |
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| 5 |
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| 6 |
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| 10 |
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| 12 |
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| 13 |
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| 14 |
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| 15 |
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| 16 |
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| 17 |
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| 18 |
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| 19 |
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| 20 |
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| 21 |
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| 22 |
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| 23 |
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| 25 |
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| 26 |
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| 27 |
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| 29 |
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| 30 |
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| 31 |
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| 32 |
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| 33 |
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| 34 |
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|
| 35 |
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| 36 |
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| 37 |
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| 48 |
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| 49 |
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| 53 |
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| 54 |
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| 55 |
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| 57 |
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| 58 |
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|
| 59 |
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|
8r9y_H_L_A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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|
|
| 1 |
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{
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| 2 |
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"entry": "8r9y_H_L_A_sample_1",
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| 3 |
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| 4 |
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| 5 |
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| 6 |
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| 12 |
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| 13 |
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| 14 |
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| 15 |
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| 16 |
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| 17 |
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| 18 |
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| 19 |
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| 20 |
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| 21 |
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| 29 |
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| 30 |
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| 31 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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| 42 |
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| 44 |
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| 46 |
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| 48 |
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| 49 |
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| 52 |
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| 53 |
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| 54 |
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| 55 |
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| 57 |
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|
| 58 |
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|
| 59 |
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|
8r9y_H_L_A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
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|
|
|
|
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|
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|
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|
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|
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|
|
|
|
| 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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| 10 |
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|
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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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| 29 |
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| 30 |
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| 31 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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| 36 |
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| 46 |
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|
| 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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| 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 |
+
}
|
8r9y_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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|
|
|
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|
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|
|
|
| 1 |
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{
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| 2 |
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|
| 3 |
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|
| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 8 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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| 23 |
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| 25 |
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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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|
| 39 |
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|
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|
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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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|
| 56 |
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|
| 57 |
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|
| 58 |
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}
|
| 59 |
+
}
|
8r9y_H_L_A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
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|
|
| 1 |
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| 2 |
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| 3 |
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| 4 |
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| 5 |
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| 6 |
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| 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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| 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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| 49 |
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| 57 |
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| 58 |
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| 59 |
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|
8r9z_H_L_A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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|
| 1 |
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{
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| 2 |
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"entry": "8r9z_H_L_A_sample_0",
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| 3 |
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| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 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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| 17 |
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|
| 18 |
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| 19 |
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| 20 |
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| 21 |
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| 22 |
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| 30 |
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|
| 31 |
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| 32 |
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|
| 33 |
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| 34 |
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| 35 |
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| 36 |
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| 44 |
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| 48 |
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| 49 |
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| 52 |
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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 |
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|
8r9z_H_L_A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
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|
|
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|
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|
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|
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|
|
| 1 |
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{
|
| 2 |
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|
| 3 |
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|
| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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| 36 |
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| 46 |
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|
| 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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| 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 |
+
}
|
8r9z_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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|
|
| 1 |
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{
|
| 2 |
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"entry": "8r9z_H_L_A_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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| 23 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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| 40 |
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|
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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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| 56 |
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|
| 57 |
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|
| 58 |
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}
|
| 59 |
+
}
|
8r9z_H_L_A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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|
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|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8r9z_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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"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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|
| 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": 1618
|
| 58 |
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}
|
| 59 |
+
}
|
8rek_H_L_A_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
|
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|
|
|
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|
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|
|
|
|
|
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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": "8rek_H_L_A_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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| 16 |
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|
| 17 |
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"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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|
| 58 |
+
}
|
| 59 |
+
}
|
8rh0_H_L_A_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
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|
|
|
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|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8rh0_H_L_A_sample_4",
|
| 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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|
| 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 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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"cdr3": 0.7873499393463135,
|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
+
},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 773
|
| 58 |
+
}
|
| 59 |
+
}
|
8rh2_H_L_B_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8rh2_H_L_B_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": 1.0321212410926819,
|
| 7 |
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"cdr": 1.4908072650432587,
|
| 8 |
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"framework": 0.6503050327301025,
|
| 9 |
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"cdr_fw_aligned": 1.8135793805122375
|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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"num_aligned_atoms": 896,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.3373493975903614,
|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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"total": 1.2068051099777222,
|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
+
},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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"total": 0.8574373722076416,
|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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"cdr3": 0.30482518672943115,
|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
+
},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 420
|
| 58 |
+
}
|
| 59 |
+
}
|
8rvn_H_L_F_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
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|
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|
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|
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|
|
|
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|
|
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|
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|
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|
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|
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|
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|
|
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|
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|
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|
|
|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8rvn_H_L_F_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.6825695037841797,
|
| 7 |
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"cdr": 1.8910703659057617,
|
| 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 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.4362273216247559,
|
| 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": 1.3096599578857422,
|
| 29 |
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"cdr2_fw_aligned": 1.2211003303527832,
|
| 30 |
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"cdr3_fw_aligned": 3.708004951477051,
|
| 31 |
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"num_residues": 117,
|
| 32 |
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"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
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"total": 1.9289116859436035,
|
| 37 |
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"cdr": 1.3621704578399658,
|
| 38 |
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"framework": 2.052708625793457,
|
| 39 |
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|
| 40 |
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|
| 41 |
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"cdr2": 0.3546798825263977,
|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 468
|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 416
|
| 58 |
+
}
|
| 59 |
+
}
|
8rvn_H_L_F_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
|
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|
|
|
|
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|
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|
|
|
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|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8rvn_H_L_F_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": 2.1928446292877197,
|
| 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": 0.5125628140703518,
|
| 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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"cdr3": 3.783599853515625,
|
| 28 |
+
"cdr1_fw_aligned": 1.4023698568344116,
|
| 29 |
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|
| 30 |
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|
| 31 |
+
"num_residues": 117,
|
| 32 |
+
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|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 2.605282783508301,
|
| 37 |
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"cdr": 2.572552442550659,
|
| 38 |
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"framework": 2.517359495162964,
|
| 39 |
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"cdr_fw_aligned": 3.0615549087524414,
|
| 40 |
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|
| 41 |
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"cdr2": 1.343287467956543,
|
| 42 |
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"cdr3": 3.624061107635498,
|
| 43 |
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"cdr1_fw_aligned": 2.313058376312256,
|
| 44 |
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"cdr2_fw_aligned": 1.692528247833252,
|
| 45 |
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"cdr3_fw_aligned": 4.296367168426514,
|
| 46 |
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"num_residues": 104,
|
| 47 |
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"num_cdr_residues": 28
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 1601,
|
| 51 |
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"num_gt_atoms": 864,
|
| 52 |
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"num_aligned_atoms": 864
|
| 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": 768,
|
| 57 |
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"num_aligned_atoms": 768
|
| 58 |
+
}
|
| 59 |
+
}
|
8rz1_A_a_B_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
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|
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|
|
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|
|
|
|
|
|
|
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|
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|
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|
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|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8rz1_A_a_B_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 0.78570556640625,
|
| 7 |
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"cdr": 0.7369757741689682,
|
| 8 |
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"framework": 0.745290219783783,
|
| 9 |
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"cdr_fw_aligned": 1.0763405859470367
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 2280,
|
| 12 |
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"num_gt_atoms": 1824,
|
| 13 |
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"num_aligned_atoms": 1824,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.8,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "A",
|
| 21 |
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"total": 0.78570556640625,
|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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"num_residues": 228,
|
| 32 |
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"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "A",
|
| 36 |
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"total": 0.78570556640625,
|
| 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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"num_pred_atoms": 1140,
|
| 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": 912
|
| 58 |
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}
|
| 59 |
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}
|