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- 7xic_K_L_B_sample_0_rmsd.json +59 -0
- 7xic_K_L_B_sample_3_rmsd.json +59 -0
- 7xic_K_L_B_sample_4_rmsd.json +59 -0
- 7xic_K_L_B_sample_4_rmsd_backbone.json +59 -0
- 8euq_C_D_AB_sample_1_rmsd.json +59 -0
- 8euq_C_D_AB_sample_1_rmsd_backbone.json +59 -0
- 8q7s_F__D_sample_0_rmsd.json +39 -0
- 8q94_C__A_sample_4_rmsd_backbone.json +39 -0
- 8qf5_G__H_sample_1_rmsd.json +39 -0
- 8qf5_G__H_sample_2_rmsd_backbone.json +39 -0
- 8qot_B__A_sample_2_rmsd.json +39 -0
- 8qq0_E_D_A_sample_0_rmsd.json +59 -0
- 8qq0_E_D_A_sample_3_rmsd.json +59 -0
- 8qz1_C__B_sample_3_rmsd_backbone.json +39 -0
- 8qz3_C__B_sample_1_rmsd.json +39 -0
- 8qz3_C__B_sample_3_rmsd.json +39 -0
- 8qz6_B__A_sample_4_rmsd.json +39 -0
- 8qz6_B__A_sample_4_rmsd_backbone.json +39 -0
- 8qz7_B__A_sample_4_rmsd_backbone.json +39 -0
- 8r40_A_a_C_sample_2_rmsd_backbone.json +59 -0
- 8r4d_B__A_sample_3_rmsd_backbone.json +39 -0
- 8r80_H_L_R_sample_1_rmsd_backbone.json +59 -0
- 8r9y_H_L_A_sample_1_rmsd.json +59 -0
- 8r9y_H_L_A_sample_2_rmsd.json +59 -0
- 8r9z_B_C_A_sample_0_rmsd_backbone.json +59 -0
- 8r9z_H_L_A_sample_0_rmsd.json +59 -0
- 8r9z_H_L_A_sample_2_rmsd_backbone.json +59 -0
- 8r9z_H_L_A_sample_3_rmsd.json +59 -0
- 8rek_H_L_A_sample_0_rmsd.json +59 -0
- 8rek_H_L_A_sample_2_rmsd.json +59 -0
- 8rh0_H_L_A_sample_0_rmsd_backbone.json +59 -0
- 8rh0_H_L_A_sample_4_rmsd.json +59 -0
- 8rvn_H_L_F_sample_4_rmsd_backbone.json +59 -0
- 8rz1_A_a_B_sample_3_rmsd_backbone.json +59 -0
- 8rz1_A_a_B_sample_4_rmsd.json +59 -0
- 8s0l_B__A_sample_0_rmsd.json +39 -0
- 8s0l_B__A_sample_1_rmsd.json +39 -0
- 8s0l_B__A_sample_2_rmsd.json +39 -0
- 8s5w_B__A_sample_0_rmsd.json +39 -0
- 8s5w_B__A_sample_1_rmsd_backbone.json +39 -0
- 8s5w_B__A_sample_3_rmsd.json +39 -0
- 8s5w_B__A_sample_4_rmsd.json +39 -0
- 8s61_B__A_sample_0_rmsd_backbone.json +39 -0
- 8sdg_G_I_C_sample_0_rmsd_backbone.json +59 -0
- 8sfx_D__B_sample_1_rmsd.json +39 -0
- 8sfx_D__B_sample_2_rmsd.json +39 -0
- 8sfx_D__B_sample_2_rmsd_backbone.json +39 -0
- 8sgi_H_L_A_sample_1_rmsd_backbone.json +59 -0
- 8sgj_H_L_A_sample_4_rmsd_backbone.json +59 -0
- 8sic_A_B_E_sample_2_rmsd.json +59 -0
7xic_K_L_B_sample_0_rmsd.json
ADDED
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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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"alignment_coverage": {
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"pred_coverage": 0.9834190966266438,
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"gt_coverage": 0.9539656128674432,
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"full_coverage": false
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"heavy_chain": {
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"chain_id": "K",
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"total": 1.9646464586257935,
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"cdr": 3.338578224182129,
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"framework": 1.0022457838058472,
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"cdr_fw_aligned": 4.059549808502197,
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"cdr2": 0.4597356617450714,
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"cdr3": 3.395397901535034,
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"cdr1_fw_aligned": 1.2571606636047363,
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"cdr2_fw_aligned": 0.845417857170105,
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| 30 |
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"cdr3_fw_aligned": 5.357029438018799,
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"num_residues": 129,
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"num_cdr_residues": 32
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"light_chain": {
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| 35 |
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"chain_id": "L",
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| 36 |
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"total": 0.9354175925254822,
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| 37 |
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"cdr": 1.0144625902175903,
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"framework": 0.873069167137146,
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"cdr_fw_aligned": 1.1347239017486572,
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"cdr2": 0.3915199041366577,
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"cdr1_fw_aligned": 1.0817795991897583,
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"cdr2_fw_aligned": 0.511269748210907,
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"cdr3_fw_aligned": 1.3835928440093994,
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"num_residues": 108,
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"num_cdr_residues": 28
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"heavy_chain_atom_counts": {
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| 50 |
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"num_pred_atoms": 938,
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| 51 |
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"num_gt_atoms": 967,
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"num_aligned_atoms": 920
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"num_aligned_atoms": 800
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}
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7xic_K_L_B_sample_3_rmsd.json
ADDED
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{
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"entry": "7xic_K_L_B_sample_3",
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"success": true,
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"error": null,
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| 5 |
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"rmsd": {
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"num_pred_atoms": 1749,
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| 12 |
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"num_gt_atoms": 1803,
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| 13 |
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"num_aligned_atoms": 1720,
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| 14 |
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"alignment_coverage": {
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| 15 |
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"pred_coverage": 0.9834190966266438,
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| 16 |
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"gt_coverage": 0.9539656128674432,
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| 17 |
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"full_coverage": false
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| 18 |
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},
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| 19 |
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"heavy_chain": {
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| 20 |
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"chain_id": "K",
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| 21 |
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| 22 |
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"cdr": 3.3939714431762695,
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"cdr_fw_aligned": 4.263116359710693,
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"cdr1": 0.8161798715591431,
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"cdr2": 0.3707389235496521,
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"cdr1_fw_aligned": 0.9241058230400085,
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"cdr2_fw_aligned": 0.5741783976554871,
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"cdr3_fw_aligned": 5.67414665222168,
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"num_residues": 129,
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"num_cdr_residues": 32
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| 33 |
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| 34 |
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"light_chain": {
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| 35 |
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"num_aligned_atoms": 800
|
| 58 |
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}
|
| 59 |
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}
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7xic_K_L_B_sample_4_rmsd.json
ADDED
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{
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"entry": "7xic_K_L_B_sample_4",
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| 3 |
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"success": true,
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| 4 |
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"error": null,
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| 5 |
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"rmsd": {
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| 6 |
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| 10 |
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| 12 |
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| 13 |
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| 14 |
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| 18 |
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| 19 |
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| 21 |
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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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|
| 48 |
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| 49 |
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"heavy_chain_atom_counts": {
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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 |
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}
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7xic_K_L_B_sample_4_rmsd_backbone.json
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{
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"entry": "7xic_K_L_B_sample_4",
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| 3 |
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"success": true,
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| 4 |
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"error": null,
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| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.1883862912654877,
|
| 7 |
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"cdr": 1.8806423246860504,
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| 8 |
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"framework": 0.45859919488430023,
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| 9 |
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"cdr_fw_aligned": 2.2758792638778687
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 948,
|
| 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 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "K",
|
| 21 |
+
"total": 1.8635201454162598,
|
| 22 |
+
"cdr": 3.267590284347534,
|
| 23 |
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|
| 24 |
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"cdr_fw_aligned": 3.961970806121826,
|
| 25 |
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|
| 26 |
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|
| 27 |
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"cdr3": 2.611318349838257,
|
| 28 |
+
"cdr1_fw_aligned": 0.5341960787773132,
|
| 29 |
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"cdr2_fw_aligned": 0.7123256325721741,
|
| 30 |
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"cdr3_fw_aligned": 5.115855693817139,
|
| 31 |
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"num_residues": 129,
|
| 32 |
+
"num_cdr_residues": 32
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
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"total": 0.5132524371147156,
|
| 37 |
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|
| 38 |
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|
| 39 |
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"cdr_fw_aligned": 0.5897877216339111,
|
| 40 |
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|
| 41 |
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"cdr2": 0.32519373297691345,
|
| 42 |
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"cdr3": 0.6596003770828247,
|
| 43 |
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"cdr1_fw_aligned": 0.41933080554008484,
|
| 44 |
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"cdr2_fw_aligned": 0.4134957492351532,
|
| 45 |
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"cdr3_fw_aligned": 0.8129359483718872,
|
| 46 |
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|
| 47 |
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"num_cdr_residues": 28
|
| 48 |
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},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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"num_gt_atoms": 516,
|
| 52 |
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"num_aligned_atoms": 516
|
| 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": 432,
|
| 57 |
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"num_aligned_atoms": 432
|
| 58 |
+
}
|
| 59 |
+
}
|
8euq_C_D_AB_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
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|
|
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|
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|
|
|
|
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|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8euq_C_D_AB_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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"framework": 1.6727421879768372,
|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9831340079730144,
|
| 16 |
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"gt_coverage": 0.9777371149740774,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "C",
|
| 21 |
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"total": 1.8355146646499634,
|
| 22 |
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"cdr": 1.2977219820022583,
|
| 23 |
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"framework": 1.8312519788742065,
|
| 24 |
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|
| 25 |
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"cdr1": 0.3640882074832916,
|
| 26 |
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"cdr2": 0.1934196650981903,
|
| 27 |
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"cdr3": 1.5901719331741333,
|
| 28 |
+
"cdr1_fw_aligned": 2.0806915760040283,
|
| 29 |
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"cdr2_fw_aligned": 1.808016300201416,
|
| 30 |
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"cdr3_fw_aligned": 2.0656697750091553,
|
| 31 |
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"num_residues": 222,
|
| 32 |
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"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
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"chain_id": "D",
|
| 36 |
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"total": 1.6046860218048096,
|
| 37 |
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"cdr": 0.9619921445846558,
|
| 38 |
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"framework": 1.5142323970794678,
|
| 39 |
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"cdr_fw_aligned": 2.5059125423431396,
|
| 40 |
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|
| 41 |
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"cdr2": 0.5608295798301697,
|
| 42 |
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"cdr3": 0.5490540266036987,
|
| 43 |
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"cdr1_fw_aligned": 3.021239995956421,
|
| 44 |
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"cdr2_fw_aligned": 1.6400151252746582,
|
| 45 |
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"cdr3_fw_aligned": 2.2388155460357666,
|
| 46 |
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|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
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},
|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 1595
|
| 58 |
+
}
|
| 59 |
+
}
|
8euq_C_D_AB_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
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|
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|
|
|
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|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8euq_C_D_AB_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.4248993396759033,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "C",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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|
| 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": 1.6784968376159668,
|
| 45 |
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|
| 46 |
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|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
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},
|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 888
|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 848
|
| 58 |
+
}
|
| 59 |
+
}
|
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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|
|
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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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"total": 1.8906724452972412,
|
| 7 |
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"cdr": 3.119206428527832,
|
| 8 |
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"framework": 1.1195162534713745,
|
| 9 |
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"cdr_fw_aligned": 3.544914960861206
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 949,
|
| 12 |
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"num_gt_atoms": 966,
|
| 13 |
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|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9652265542676501,
|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
+
"chain_id": "F",
|
| 21 |
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"total": 1.8906724452972412,
|
| 22 |
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|
| 23 |
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"framework": 1.1195162534713745,
|
| 24 |
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"cdr_fw_aligned": 3.544914960861206,
|
| 25 |
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"cdr1": 3.5239498615264893,
|
| 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 |
+
}
|
8q94_C__A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
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|
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|
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|
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|
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|
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|
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|
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|
|
|
|
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|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8q94_C__A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.9298982620239258,
|
| 7 |
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"cdr": 3.204476833343506,
|
| 8 |
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"framework": 0.8454414010047913,
|
| 9 |
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"cdr_fw_aligned": 3.670895576477051
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 528,
|
| 12 |
+
"num_gt_atoms": 508,
|
| 13 |
+
"num_aligned_atoms": 508,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9621212121212122,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
+
"total": 1.9298982620239258,
|
| 22 |
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"cdr": 3.204476833343506,
|
| 23 |
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"framework": 0.8454414010047913,
|
| 24 |
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"cdr_fw_aligned": 3.670895576477051,
|
| 25 |
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"cdr1": 1.6950366497039795,
|
| 26 |
+
"cdr2": 0.4490700364112854,
|
| 27 |
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"cdr3": 3.4113242626190186,
|
| 28 |
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"cdr1_fw_aligned": 3.901674270629883,
|
| 29 |
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"cdr2_fw_aligned": 1.4230101108551025,
|
| 30 |
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"cdr3_fw_aligned": 4.055562496185303,
|
| 31 |
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"num_residues": 127,
|
| 32 |
+
"num_cdr_residues": 32
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
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|
| 36 |
+
"num_gt_atoms": 508,
|
| 37 |
+
"num_aligned_atoms": 508
|
| 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 |
+
"entry": "8qf5_G__H_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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"cdr2_fw_aligned": 0.574288547039032,
|
| 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": 862
|
| 38 |
+
}
|
| 39 |
+
}
|
8qf5_G__H_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
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|
|
|
|
|
|
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|
|
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|
|
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|
|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qf5_G__H_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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"num_gt_atoms": 480,
|
| 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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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": true
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "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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"cdr2_fw_aligned": 0.534174919128418,
|
| 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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"num_pred_atoms": 480,
|
| 36 |
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"num_gt_atoms": 480,
|
| 37 |
+
"num_aligned_atoms": 480
|
| 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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|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qot_B__A_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"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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"cdr": 2.568317413330078,
|
| 23 |
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|
| 24 |
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|
| 25 |
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"cdr1": 2.19571852684021,
|
| 26 |
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"cdr2": 0.8241809606552124,
|
| 27 |
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"cdr3": 2.4116578102111816,
|
| 28 |
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"cdr1_fw_aligned": 2.9736721515655518,
|
| 29 |
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"cdr2_fw_aligned": 1.2087849378585815,
|
| 30 |
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"cdr3_fw_aligned": 3.842196226119995,
|
| 31 |
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|
| 32 |
+
"num_cdr_residues": 27
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 1262,
|
| 36 |
+
"num_gt_atoms": 948,
|
| 37 |
+
"num_aligned_atoms": 896
|
| 38 |
+
}
|
| 39 |
+
}
|
8qq0_E_D_A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
|
|
|
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|
|
|
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|
|
|
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|
|
|
|
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|
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|
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|
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|
|
|
|
|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8qq0_E_D_A_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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"num_residues": 120,
|
| 32 |
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"num_cdr_residues": 26
|
| 33 |
+
},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "D",
|
| 36 |
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|
| 37 |
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|
| 38 |
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"framework": 1.5498336553573608,
|
| 39 |
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"cdr_fw_aligned": 4.238000869750977,
|
| 40 |
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|
| 41 |
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"cdr2": 0.5901392698287964,
|
| 42 |
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"cdr3": 0.9926779270172119,
|
| 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 |
+
}
|
8qq0_E_D_A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
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|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
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|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8qq0_E_D_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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"total": 2.053928554058075,
|
| 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": "E",
|
| 21 |
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"total": 1.6410564184188843,
|
| 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": "D",
|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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},
|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
+
}
|
| 59 |
+
}
|
8qz1_C__B_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz1_C__B_sample_3",
|
| 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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"num_gt_atoms": 516,
|
| 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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"cdr": 1.7810242176055908,
|
| 23 |
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|
| 24 |
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"cdr_fw_aligned": 2.431165933609009,
|
| 25 |
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"cdr1": 2.4032785892486572,
|
| 26 |
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|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 4.065940856933594,
|
| 29 |
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"cdr2_fw_aligned": 2.0270841121673584,
|
| 30 |
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"cdr3_fw_aligned": 1.4740726947784424,
|
| 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 |
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"num_gt_atoms": 516,
|
| 37 |
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"num_aligned_atoms": 516
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz3_C__B_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
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|
|
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|
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|
|
|
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|
|
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|
|
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|
|
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|
|
|
|
|
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|
|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz3_C__B_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.3030797243118286,
|
| 7 |
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"cdr": 1.4586896896362305,
|
| 8 |
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"framework": 1.2423144578933716,
|
| 9 |
+
"cdr_fw_aligned": 1.5313773155212402
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 1020,
|
| 12 |
+
"num_gt_atoms": 963,
|
| 13 |
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"num_aligned_atoms": 913,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.8950980392156863,
|
| 16 |
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"gt_coverage": 0.9480789200415368,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "C",
|
| 21 |
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"total": 1.3030797243118286,
|
| 22 |
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"cdr": 1.4586896896362305,
|
| 23 |
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"framework": 1.2423144578933716,
|
| 24 |
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"cdr_fw_aligned": 1.5313773155212402,
|
| 25 |
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"cdr1": 1.6396088600158691,
|
| 26 |
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"cdr2": 1.010284185409546,
|
| 27 |
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"cdr3": 1.1030908823013306,
|
| 28 |
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"cdr1_fw_aligned": 2.1516380310058594,
|
| 29 |
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"cdr2_fw_aligned": 1.5460357666015625,
|
| 30 |
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"cdr3_fw_aligned": 1.192041039466858,
|
| 31 |
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"num_residues": 127,
|
| 32 |
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"num_cdr_residues": 31
|
| 33 |
+
},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 1020,
|
| 36 |
+
"num_gt_atoms": 963,
|
| 37 |
+
"num_aligned_atoms": 913
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz3_C__B_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 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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"num_gt_atoms": 963,
|
| 13 |
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"num_aligned_atoms": 913,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.8950980392156863,
|
| 16 |
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"gt_coverage": 0.9480789200415368,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "C",
|
| 21 |
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"total": 1.1291966438293457,
|
| 22 |
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"cdr": 1.380271077156067,
|
| 23 |
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"framework": 1.0332379341125488,
|
| 24 |
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"cdr_fw_aligned": 1.471827745437622,
|
| 25 |
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"cdr1": 1.6721272468566895,
|
| 26 |
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"cdr2": 0.39833977818489075,
|
| 27 |
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"cdr3": 1.235952615737915,
|
| 28 |
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"cdr1_fw_aligned": 2.0466113090515137,
|
| 29 |
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"cdr2_fw_aligned": 0.9473466873168945,
|
| 30 |
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"cdr3_fw_aligned": 1.3312692642211914,
|
| 31 |
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"num_residues": 127,
|
| 32 |
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"num_cdr_residues": 31
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 1020,
|
| 36 |
+
"num_gt_atoms": 963,
|
| 37 |
+
"num_aligned_atoms": 913
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz6_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8qz6_B__A_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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"cdr2": 0.3744781017303467,
|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
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"num_gt_atoms": 913,
|
| 37 |
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"num_aligned_atoms": 862
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz6_B__A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz6_B__A_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 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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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
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|
| 37 |
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"num_aligned_atoms": 496
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz7_B__A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
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|
|
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|
|
|
|
|
|
|
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|
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|
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|
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|
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|
|
|
|
|
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|
|
|
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|
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|
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|
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|
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|
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|
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|
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|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8qz7_B__A_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"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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"chain_id": "B",
|
| 21 |
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|
| 22 |
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|
| 23 |
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| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
+
}
|
| 39 |
+
}
|
8r40_A_a_C_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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|
|
| 1 |
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{
|
| 2 |
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"entry": "8r40_A_a_C_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": 16.0284366607666,
|
| 7 |
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|
| 8 |
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"framework": 14.073975086212158,
|
| 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 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "A",
|
| 21 |
+
"total": 16.0284366607666,
|
| 22 |
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"cdr": 2.997511148452759,
|
| 23 |
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"framework": 14.218119621276855,
|
| 24 |
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"cdr_fw_aligned": 30.03705406188965,
|
| 25 |
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"cdr1": 1.768670916557312,
|
| 26 |
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"cdr2": 0.4657514691352844,
|
| 27 |
+
"cdr3": 2.950127363204956,
|
| 28 |
+
"cdr1_fw_aligned": 28.44141387939453,
|
| 29 |
+
"cdr2_fw_aligned": 26.816328048706055,
|
| 30 |
+
"cdr3_fw_aligned": 31.615633010864258,
|
| 31 |
+
"num_residues": 242,
|
| 32 |
+
"num_cdr_residues": 31
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "A",
|
| 36 |
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"total": 16.0284366607666,
|
| 37 |
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"cdr": 1.1784236431121826,
|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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"cdr2": 0.24166205525398254,
|
| 42 |
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"cdr3": 1.44760000705719,
|
| 43 |
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"cdr1_fw_aligned": 30.175683975219727,
|
| 44 |
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"cdr2_fw_aligned": 30.673648834228516,
|
| 45 |
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"cdr3_fw_aligned": 28.907581329345703,
|
| 46 |
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|
| 47 |
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"num_cdr_residues": 33
|
| 48 |
+
},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 1048,
|
| 51 |
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"num_gt_atoms": 968,
|
| 52 |
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"num_aligned_atoms": 968
|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 968,
|
| 57 |
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"num_aligned_atoms": 968
|
| 58 |
+
}
|
| 59 |
+
}
|
8r4d_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r4d_B__A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 2.56292462348938,
|
| 7 |
+
"cdr": 3.699512481689453,
|
| 8 |
+
"framework": 1.5684627294540405,
|
| 9 |
+
"cdr_fw_aligned": 4.4271721839904785
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 548,
|
| 12 |
+
"num_gt_atoms": 428,
|
| 13 |
+
"num_aligned_atoms": 428,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.781021897810219,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
+
"total": 2.56292462348938,
|
| 22 |
+
"cdr": 3.699512481689453,
|
| 23 |
+
"framework": 1.5684627294540405,
|
| 24 |
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"cdr_fw_aligned": 4.4271721839904785,
|
| 25 |
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"cdr1": 1.0234676599502563,
|
| 26 |
+
"cdr2": 1.827261209487915,
|
| 27 |
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"cdr3": 1.9908099174499512,
|
| 28 |
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"cdr1_fw_aligned": 3.680356740951538,
|
| 29 |
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"cdr2_fw_aligned": 3.9039196968078613,
|
| 30 |
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"cdr3_fw_aligned": 4.916204929351807,
|
| 31 |
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"num_residues": 107,
|
| 32 |
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"num_cdr_residues": 28
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 548,
|
| 36 |
+
"num_gt_atoms": 428,
|
| 37 |
+
"num_aligned_atoms": 428
|
| 38 |
+
}
|
| 39 |
+
}
|
8r80_H_L_R_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8r80_H_L_R_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": 1.12137970328331,
|
| 7 |
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"cdr": 1.9137361943721771,
|
| 8 |
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"framework": 0.6635876893997192,
|
| 9 |
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|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 1752,
|
| 12 |
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"num_gt_atoms": 1736,
|
| 13 |
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"num_aligned_atoms": 1736,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9908675799086758,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.6007379293441772,
|
| 22 |
+
"cdr": 3.1289825439453125,
|
| 23 |
+
"framework": 0.7199842929840088,
|
| 24 |
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"cdr_fw_aligned": 4.634613513946533,
|
| 25 |
+
"cdr1": 0.4192267656326294,
|
| 26 |
+
"cdr2": 0.29747524857521057,
|
| 27 |
+
"cdr3": 2.7122390270233154,
|
| 28 |
+
"cdr1_fw_aligned": 0.8306719660758972,
|
| 29 |
+
"cdr2_fw_aligned": 0.9804725050926208,
|
| 30 |
+
"cdr3_fw_aligned": 6.635956764221191,
|
| 31 |
+
"num_residues": 220,
|
| 32 |
+
"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 0.6420214772224426,
|
| 37 |
+
"cdr": 0.6984898447990417,
|
| 38 |
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"framework": 0.6071910858154297,
|
| 39 |
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"cdr_fw_aligned": 0.8633167743682861,
|
| 40 |
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"cdr1": 0.3529476821422577,
|
| 41 |
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"cdr2": 0.33984529972076416,
|
| 42 |
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"cdr3": 0.5091257691383362,
|
| 43 |
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"cdr1_fw_aligned": 0.6211187243461609,
|
| 44 |
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"cdr2_fw_aligned": 0.709678590297699,
|
| 45 |
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"cdr3_fw_aligned": 1.171621322631836,
|
| 46 |
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"num_residues": 214,
|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 896,
|
| 51 |
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"num_gt_atoms": 880,
|
| 52 |
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"num_aligned_atoms": 880
|
| 53 |
+
},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 856,
|
| 56 |
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"num_gt_atoms": 856,
|
| 57 |
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"num_aligned_atoms": 856
|
| 58 |
+
}
|
| 59 |
+
}
|
8r9y_H_L_A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
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|
|
|
|
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|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r9y_H_L_A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.394417941570282,
|
| 7 |
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"cdr": 1.387629359960556,
|
| 8 |
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"framework": 1.345107614994049,
|
| 9 |
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"cdr_fw_aligned": 1.8627946972846985
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 3224,
|
| 12 |
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"num_gt_atoms": 3276,
|
| 13 |
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"num_aligned_atoms": 3200,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9925558312655087,
|
| 16 |
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"gt_coverage": 0.9768009768009768,
|
| 17 |
+
"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": 1.6201049089431763,
|
| 22 |
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"cdr": 1.9026240110397339,
|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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"cdr2": 1.621509075164795,
|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 1.5291255712509155,
|
| 29 |
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|
| 30 |
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|
| 31 |
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"num_residues": 219,
|
| 32 |
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"num_cdr_residues": 25
|
| 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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"cdr3": 0.47321754693984985,
|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 1585
|
| 58 |
+
}
|
| 59 |
+
}
|
8r9y_H_L_A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r9y_H_L_A_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.6940494179725647,
|
| 7 |
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"cdr": 1.4065731763839722,
|
| 8 |
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"framework": 1.6266515851020813,
|
| 9 |
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"cdr_fw_aligned": 2.321882724761963
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 3224,
|
| 12 |
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|
| 13 |
+
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|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9925558312655087,
|
| 16 |
+
"gt_coverage": 0.9768009768009768,
|
| 17 |
+
"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": 1.9087814092636108,
|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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"cdr1": 0.9028882384300232,
|
| 26 |
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|
| 27 |
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"cdr3": 1.5790894031524658,
|
| 28 |
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"cdr1_fw_aligned": 2.4400200843811035,
|
| 29 |
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"cdr2_fw_aligned": 3.3727149963378906,
|
| 30 |
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"cdr3_fw_aligned": 2.120790958404541,
|
| 31 |
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"num_residues": 219,
|
| 32 |
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"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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"total": 1.4793174266815186,
|
| 37 |
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"cdr": 0.8016831874847412,
|
| 38 |
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"framework": 1.4276491403579712,
|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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"cdr2_fw_aligned": 1.8464422225952148,
|
| 45 |
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|
| 46 |
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"num_residues": 212,
|
| 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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"num_aligned_atoms": 1615
|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 1597,
|
| 56 |
+
"num_gt_atoms": 1618,
|
| 57 |
+
"num_aligned_atoms": 1585
|
| 58 |
+
}
|
| 59 |
+
}
|
8r9z_B_C_A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
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|
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|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r9z_B_C_A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.041641592979431,
|
| 7 |
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|
| 8 |
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"framework": 1.6999271512031555,
|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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"num_gt_atoms": 1708,
|
| 13 |
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"num_aligned_atoms": 1708,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 1.0,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
+
"total": 2.5721747875213623,
|
| 22 |
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"cdr": 3.6845383644104004,
|
| 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": 3.30053973197937,
|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "C",
|
| 36 |
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"total": 1.5111083984375,
|
| 37 |
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|
| 38 |
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"framework": 1.4641592502593994,
|
| 39 |
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"cdr_fw_aligned": 2.0100090503692627,
|
| 40 |
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|
| 41 |
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|
| 42 |
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"cdr3": 0.27798911929130554,
|
| 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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"num_aligned_atoms": 872
|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 836
|
| 58 |
+
}
|
| 59 |
+
}
|
8r9z_H_L_A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
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|
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|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r9z_H_L_A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.054913341999054,
|
| 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": "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": 25
|
| 33 |
+
},
|
| 34 |
+
"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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"num_residues": 212,
|
| 47 |
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|
| 48 |
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},
|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 1585
|
| 58 |
+
}
|
| 59 |
+
}
|
8r9z_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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|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8r9z_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": true
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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| 23 |
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| 24 |
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|
| 25 |
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| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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},
|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 848
|
| 58 |
+
}
|
| 59 |
+
}
|
8r9z_H_L_A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
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|
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|
|
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|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r9z_H_L_A_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 1610
|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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"num_gt_atoms": 1618,
|
| 57 |
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"num_aligned_atoms": 1585
|
| 58 |
+
}
|
| 59 |
+
}
|
8rek_H_L_A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
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|
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|
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|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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|
| 3 |
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|
| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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| 10 |
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| 11 |
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| 12 |
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| 13 |
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| 14 |
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|
| 15 |
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| 16 |
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| 17 |
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|
| 18 |
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| 19 |
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| 20 |
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| 21 |
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| 22 |
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| 23 |
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| 24 |
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|
| 25 |
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| 26 |
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| 27 |
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| 28 |
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| 29 |
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| 30 |
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| 31 |
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| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 41 |
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| 42 |
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| 43 |
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| 44 |
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| 45 |
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| 46 |
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| 47 |
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| 48 |
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|
| 49 |
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| 50 |
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| 51 |
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| 52 |
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| 53 |
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| 54 |
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| 55 |
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| 56 |
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| 57 |
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| 58 |
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|
| 59 |
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|
8rek_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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|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 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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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 41 |
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| 42 |
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| 43 |
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| 44 |
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| 45 |
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| 46 |
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| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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}
|
| 59 |
+
}
|
8rh0_H_L_A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
|
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|
|
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|
|
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|
|
|
|
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|
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|
|
|
|
|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
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|
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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": "8rh0_H_L_A_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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|
| 5 |
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|
| 6 |
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| 7 |
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| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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| 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": 420
|
| 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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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8rh0_H_L_A_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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"total": 1.2003920078277588,
|
| 37 |
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|
| 38 |
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"framework": 1.2329497337341309,
|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
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},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 870
|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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"num_gt_atoms": 773,
|
| 57 |
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"num_aligned_atoms": 735
|
| 58 |
+
}
|
| 59 |
+
}
|
8rvn_H_L_F_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
|
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|
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|
|
|
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|
|
|
|
| 1 |
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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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| 9 |
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| 10 |
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| 11 |
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| 12 |
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| 13 |
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| 14 |
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|
| 15 |
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| 16 |
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| 17 |
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| 18 |
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| 19 |
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|
| 20 |
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| 21 |
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| 22 |
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| 23 |
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| 24 |
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| 25 |
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| 26 |
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| 27 |
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| 28 |
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| 29 |
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| 30 |
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| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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| 36 |
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| 37 |
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| 38 |
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| 40 |
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| 41 |
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| 42 |
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| 44 |
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| 46 |
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| 47 |
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| 48 |
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|
| 49 |
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| 50 |
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| 51 |
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| 52 |
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| 53 |
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| 54 |
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| 55 |
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| 56 |
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| 57 |
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| 58 |
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|
| 59 |
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|
8rz1_A_a_B_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
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|
|
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|
| 1 |
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{
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| 2 |
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"entry": "8rz1_A_a_B_sample_3",
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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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| 27 |
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| 28 |
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| 29 |
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| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 41 |
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| 42 |
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| 43 |
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| 44 |
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| 45 |
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| 46 |
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| 47 |
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| 48 |
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|
| 49 |
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| 50 |
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| 51 |
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| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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|
| 59 |
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|
8rz1_A_a_B_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
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|
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|
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|
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|
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|
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|
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|
|
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|
|
|
|
|
|
|
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|
|
|
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|
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|
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|
|
|
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|
|
|
|
|
|
|
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|
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|
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|
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|
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|
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|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
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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": "8rz1_A_a_B_sample_4",
|
| 3 |
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|
| 4 |
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|
| 5 |
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| 6 |
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| 7 |
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| 8 |
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|
| 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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| 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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|
8s0l_B__A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
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|
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|
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|
|
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|
|
|
|
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|
|
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|
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|
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|
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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": "8s0l_B__A_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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|
| 5 |
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| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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| 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 |
+
}
|
8s0l_B__A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
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|
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|
|
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|
|
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|
|
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|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
| 1 |
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{
|
| 2 |
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"entry": "8s0l_B__A_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.8610855565777369,
|
| 16 |
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"gt_coverage": 0.9445005045408678,
|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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"total": 1.7311444282531738,
|
| 22 |
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| 23 |
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| 24 |
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|
| 25 |
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"cdr1": 0.6738278865814209,
|
| 26 |
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|
| 27 |
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"cdr3": 3.6011440753936768,
|
| 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": 936
|
| 38 |
+
}
|
| 39 |
+
}
|
8s0l_B__A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
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|
|
|
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|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8s0l_B__A_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.7696619033813477,
|
| 7 |
+
"cdr": 2.8984572887420654,
|
| 8 |
+
"framework": 1.1815544366836548,
|
| 9 |
+
"cdr_fw_aligned": 3.1568987369537354
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1087,
|
| 12 |
+
"num_gt_atoms": 991,
|
| 13 |
+
"num_aligned_atoms": 936,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.8610855565777369,
|
| 16 |
+
"gt_coverage": 0.9445005045408678,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
+
"total": 1.7696619033813477,
|
| 22 |
+
"cdr": 2.8984572887420654,
|
| 23 |
+
"framework": 1.1815544366836548,
|
| 24 |
+
"cdr_fw_aligned": 3.1568987369537354,
|
| 25 |
+
"cdr1": 0.6153895854949951,
|
| 26 |
+
"cdr2": 0.7674058079719543,
|
| 27 |
+
"cdr3": 3.6306235790252686,
|
| 28 |
+
"cdr1_fw_aligned": 0.9613329172134399,
|
| 29 |
+
"cdr2_fw_aligned": 0.8911765813827515,
|
| 30 |
+
"cdr3_fw_aligned": 3.981539487838745,
|
| 31 |
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"num_residues": 130,
|
| 32 |
+
"num_cdr_residues": 32
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 1087,
|
| 36 |
+
"num_gt_atoms": 991,
|
| 37 |
+
"num_aligned_atoms": 936
|
| 38 |
+
}
|
| 39 |
+
}
|
8s5w_B__A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
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|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8s5w_B__A_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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"framework": 1.3142350912094116,
|
| 9 |
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"cdr_fw_aligned": 7.034774303436279
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 1046,
|
| 12 |
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"num_gt_atoms": 935,
|
| 13 |
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"num_aligned_atoms": 889,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.8499043977055449,
|
| 16 |
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"gt_coverage": 0.9508021390374332,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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"total": 3.079587936401367,
|
| 22 |
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"cdr": 5.515282154083252,
|
| 23 |
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"framework": 1.3142350912094116,
|
| 24 |
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"cdr_fw_aligned": 7.034774303436279,
|
| 25 |
+
"cdr1": 3.3852105140686035,
|
| 26 |
+
"cdr2": 3.20876407623291,
|
| 27 |
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"cdr3": 4.642402172088623,
|
| 28 |
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"cdr1_fw_aligned": 5.73391580581665,
|
| 29 |
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"cdr2_fw_aligned": 4.558107376098633,
|
| 30 |
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"cdr3_fw_aligned": 8.526619911193848,
|
| 31 |
+
"num_residues": 122,
|
| 32 |
+
"num_cdr_residues": 27
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 1046,
|
| 36 |
+
"num_gt_atoms": 935,
|
| 37 |
+
"num_aligned_atoms": 889
|
| 38 |
+
}
|
| 39 |
+
}
|
8s5w_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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|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8s5w_B__A_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 3.0741212368011475,
|
| 7 |
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"cdr": 4.712885856628418,
|
| 8 |
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|
| 9 |
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"cdr_fw_aligned": 6.889590263366699
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 560,
|
| 12 |
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"num_gt_atoms": 488,
|
| 13 |
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"num_aligned_atoms": 488,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.8714285714285714,
|
| 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": "B",
|
| 21 |
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|
| 22 |
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"cdr": 4.712885856628418,
|
| 23 |
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"framework": 0.6481176018714905,
|
| 24 |
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"cdr_fw_aligned": 6.889590263366699,
|
| 25 |
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"cdr1": 2.457273244857788,
|
| 26 |
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"cdr2": 1.6302134990692139,
|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 3.338118076324463,
|
| 29 |
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"cdr2_fw_aligned": 2.1654179096221924,
|
| 30 |
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"cdr3_fw_aligned": 9.163033485412598,
|
| 31 |
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"num_residues": 122,
|
| 32 |
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"num_cdr_residues": 27
|
| 33 |
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},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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"num_pred_atoms": 560,
|
| 36 |
+
"num_gt_atoms": 488,
|
| 37 |
+
"num_aligned_atoms": 488
|
| 38 |
+
}
|
| 39 |
+
}
|
8s5w_B__A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8s5w_B__A_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 3.115354299545288,
|
| 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": 0.8499043977055449,
|
| 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": "B",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 27
|
| 33 |
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},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
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|
| 37 |
+
"num_aligned_atoms": 889
|
| 38 |
+
}
|
| 39 |
+
}
|
8s5w_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
|
|
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|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8s5w_B__A_sample_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": 3.1395905017852783,
|
| 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": 935,
|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.8499043977055449,
|
| 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": "B",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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"cdr1": 3.267916679382324,
|
| 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 |
+
"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
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|
| 37 |
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"num_aligned_atoms": 889
|
| 38 |
+
}
|
| 39 |
+
}
|
8s61_B__A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
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|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8s61_B__A_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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"num_gt_atoms": 488,
|
| 13 |
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"num_aligned_atoms": 488,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 1.0,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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"total": 2.810311794281006,
|
| 22 |
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"cdr": 4.889627456665039,
|
| 23 |
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"framework": 0.5964384078979492,
|
| 24 |
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"cdr_fw_aligned": 6.497405052185059,
|
| 25 |
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"cdr1": 2.4742472171783447,
|
| 26 |
+
"cdr2": 1.4796345233917236,
|
| 27 |
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"cdr3": 2.7987213134765625,
|
| 28 |
+
"cdr1_fw_aligned": 3.8294613361358643,
|
| 29 |
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"cdr2_fw_aligned": 2.226177453994751,
|
| 30 |
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|
| 31 |
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|
| 32 |
+
"num_cdr_residues": 27
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 488,
|
| 36 |
+
"num_gt_atoms": 488,
|
| 37 |
+
"num_aligned_atoms": 488
|
| 38 |
+
}
|
| 39 |
+
}
|
8sdg_G_I_C_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sdg_G_I_C_sample_0",
|
| 3 |
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|
| 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": "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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"num_cdr_residues": 28
|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "I",
|
| 36 |
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|
| 37 |
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"cdr": 1.4610728025436401,
|
| 38 |
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"framework": 1.9837419986724854,
|
| 39 |
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"cdr_fw_aligned": 4.346199989318848,
|
| 40 |
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| 41 |
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| 42 |
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|
| 43 |
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"cdr1_fw_aligned": 3.605264186859131,
|
| 44 |
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"cdr2_fw_aligned": 2.8421998023986816,
|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 876
|
| 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": 852
|
| 58 |
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}
|
| 59 |
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}
|
8sfx_D__B_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
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|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sfx_D__B_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.1492998600006104,
|
| 7 |
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|
| 8 |
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"framework": 1.1892619132995605,
|
| 9 |
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"cdr_fw_aligned": 1.0058985948562622
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 1044,
|
| 12 |
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"num_gt_atoms": 902,
|
| 13 |
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"num_aligned_atoms": 852,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.8160919540229885,
|
| 16 |
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"gt_coverage": 0.9445676274944568,
|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "D",
|
| 21 |
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"total": 1.1492998600006104,
|
| 22 |
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"cdr": 0.8010051846504211,
|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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"cdr2": 0.7243342399597168,
|
| 27 |
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"cdr3": 0.5072184205055237,
|
| 28 |
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|
| 29 |
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|
| 30 |
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"cdr3_fw_aligned": 0.8909761905670166,
|
| 31 |
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|
| 32 |
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"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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"num_pred_atoms": 1044,
|
| 36 |
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"num_gt_atoms": 902,
|
| 37 |
+
"num_aligned_atoms": 852
|
| 38 |
+
}
|
| 39 |
+
}
|
8sfx_D__B_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sfx_D__B_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.098305106163025,
|
| 7 |
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"cdr": 0.6556826829910278,
|
| 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": 902,
|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "D",
|
| 21 |
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|
| 22 |
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|
| 23 |
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"framework": 1.1266502141952515,
|
| 24 |
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|
| 25 |
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"cdr1": 0.2389671355485916,
|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 1.4213690757751465,
|
| 30 |
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"cdr3_fw_aligned": 0.964215874671936,
|
| 31 |
+
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|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
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|
| 37 |
+
"num_aligned_atoms": 852
|
| 38 |
+
}
|
| 39 |
+
}
|
8sfx_D__B_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sfx_D__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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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "D",
|
| 21 |
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|
| 22 |
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|
| 23 |
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"framework": 0.6710794568061829,
|
| 24 |
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"cdr_fw_aligned": 0.9665334224700928,
|
| 25 |
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"cdr1": 0.18159136176109314,
|
| 26 |
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"cdr2": 0.23217415809631348,
|
| 27 |
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"cdr3": 0.4018622040748596,
|
| 28 |
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"cdr1_fw_aligned": 0.6320753693580627,
|
| 29 |
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"cdr2_fw_aligned": 1.2400898933410645,
|
| 30 |
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"cdr3_fw_aligned": 0.9139522314071655,
|
| 31 |
+
"num_residues": 120,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 568,
|
| 36 |
+
"num_gt_atoms": 480,
|
| 37 |
+
"num_aligned_atoms": 480
|
| 38 |
+
}
|
| 39 |
+
}
|
8sgi_H_L_A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sgi_H_L_A_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.0173625349998474,
|
| 7 |
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|
| 8 |
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"framework": 0.6742744445800781,
|
| 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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"gt_coverage": 1.0,
|
| 17 |
+
"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": 1.4175306558609009,
|
| 22 |
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"cdr": 2.2322545051574707,
|
| 23 |
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"framework": 0.7519004344940186,
|
| 24 |
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|
| 25 |
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"cdr1": 0.3513878881931305,
|
| 26 |
+
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|
| 27 |
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"cdr3": 2.5637471675872803,
|
| 28 |
+
"cdr1_fw_aligned": 0.8373205065727234,
|
| 29 |
+
"cdr2_fw_aligned": 0.9820355176925659,
|
| 30 |
+
"cdr3_fw_aligned": 4.027364253997803,
|
| 31 |
+
"num_residues": 121,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 0.617194414138794,
|
| 37 |
+
"cdr": 0.5710477828979492,
|
| 38 |
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"framework": 0.5966484546661377,
|
| 39 |
+
"cdr_fw_aligned": 0.7200887799263,
|
| 40 |
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"cdr1": 0.3770686984062195,
|
| 41 |
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"cdr2": 0.46662309765815735,
|
| 42 |
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"cdr3": 0.6341793537139893,
|
| 43 |
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"cdr1_fw_aligned": 0.5567139983177185,
|
| 44 |
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"cdr2_fw_aligned": 0.6896326541900635,
|
| 45 |
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"cdr3_fw_aligned": 0.9361682534217834,
|
| 46 |
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"num_residues": 110,
|
| 47 |
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"num_cdr_residues": 30
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 996,
|
| 51 |
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"num_gt_atoms": 484,
|
| 52 |
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"num_aligned_atoms": 484
|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 440
|
| 58 |
+
}
|
| 59 |
+
}
|
8sgj_H_L_A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
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|
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|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8sgj_H_L_A_sample_4",
|
| 3 |
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|
| 4 |
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|
| 5 |
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|
| 6 |
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| 7 |
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| 8 |
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| 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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"chain_id": "H",
|
| 21 |
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|
| 22 |
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|
| 23 |
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| 24 |
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| 25 |
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| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 996,
|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 484
|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 440
|
| 58 |
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}
|
| 59 |
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}
|
8sic_A_B_E_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sic_A_B_E_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
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"total": 5.886898040771484,
|
| 7 |
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"cdr": 0.7625901699066162,
|
| 8 |
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"framework": 5.691687107086182,
|
| 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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"cdr1_fw_aligned": 9.081570625305176,
|
| 29 |
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"cdr2_fw_aligned": 7.748974323272705,
|
| 30 |
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"cdr3_fw_aligned": 5.077121257781982,
|
| 31 |
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"num_residues": 222,
|
| 32 |
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"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "B",
|
| 36 |
+
"total": 6.0007643699646,
|
| 37 |
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"cdr": 0.7404660582542419,
|
| 38 |
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"framework": 5.660975456237793,
|
| 39 |
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"cdr_fw_aligned": 9.422523498535156,
|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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"cdr1_fw_aligned": 10.7431001663208,
|
| 44 |
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"cdr2_fw_aligned": 8.269597053527832,
|
| 45 |
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"cdr3_fw_aligned": 8.510714530944824,
|
| 46 |
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"num_residues": 215,
|
| 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": 1635,
|
| 51 |
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"num_gt_atoms": 1678,
|
| 52 |
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|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 1553
|
| 58 |
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}
|
| 59 |
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}
|