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- 8euq_C_D_AB_sample_0_rmsd_backbone.json +59 -0
- 8q7o_A__C_sample_4_rmsd.json +39 -0
- 8q7s_F__D_sample_0_rmsd.json +39 -0
- 8q7s_F__D_sample_1_rmsd.json +39 -0
- 8q94_C__A_sample_1_rmsd.json +39 -0
- 8q94_C__A_sample_2_rmsd_backbone.json +39 -0
- 8qf5_G__H_sample_0_rmsd.json +39 -0
- 8qf5_G__H_sample_1_rmsd.json +39 -0
- 8qf5_G__H_sample_1_rmsd_backbone.json +39 -0
- 8qot_B__A_sample_2_rmsd.json +39 -0
- 8qot_B__A_sample_3_rmsd.json +39 -0
- 8qz1_C__B_sample_0_rmsd_backbone.json +39 -0
- 8qz3_C__B_sample_2_rmsd.json +39 -0
- 8qz3_C__B_sample_3_rmsd.json +39 -0
- 8qz7_B__A_sample_2_rmsd_backbone.json +39 -0
- 8qz7_B__A_sample_3_rmsd.json +39 -0
- 8r1c_H_L_A_sample_1_rmsd_backbone.json +59 -0
- 8r40_A_a_C_sample_3_rmsd_backbone.json +59 -0
- 8r4d_B__A_sample_1_rmsd_backbone.json +39 -0
- 8r4d_B__A_sample_2_rmsd.json +39 -0
- 8r9y_B_C_A_sample_0_rmsd.json +59 -0
- 8r9y_B_C_A_sample_1_rmsd.json +59 -0
- 8r9y_B_C_A_sample_2_rmsd.json +59 -0
- 8r9y_H_L_A_sample_3_rmsd_backbone.json +59 -0
- 8r9z_B_C_A_sample_2_rmsd.json +59 -0
- 8r9z_B_C_A_sample_3_rmsd.json +59 -0
- 8r9z_B_C_A_sample_4_rmsd_backbone.json +59 -0
- 8r9z_H_L_A_sample_3_rmsd_backbone.json +59 -0
- 8rek_H_L_A_sample_0_rmsd.json +59 -0
- 8rh0_H_L_A_sample_0_rmsd_backbone.json +59 -0
- 8rh2_H_L_B_sample_0_rmsd.json +59 -0
- 8rh2_H_L_B_sample_1_rmsd.json +59 -0
- 8rrn_H_L_A_sample_4_rmsd.json +59 -0
- 8rz1_A_a_B_sample_2_rmsd_backbone.json +59 -0
- 8rz2_B_C_A_sample_3_rmsd.json +59 -0
- 8s0n_B__A_sample_4_rmsd_backbone.json +39 -0
- 8s5w_B__A_sample_2_rmsd_backbone.json +39 -0
- 8s5w_B__A_sample_3_rmsd_backbone.json +39 -0
- 8s61_B__A_sample_2_rmsd_backbone.json +39 -0
- 8sfx_D__B_sample_4_rmsd_backbone.json +39 -0
- 8sgi_H_L_A_sample_1_rmsd_backbone.json +59 -0
- 8sgt_H_L_A_sample_2_rmsd_backbone.json +59 -0
- 8sgt_H_L_A_sample_4_rmsd.json +59 -0
- 8sic_A_B_E_sample_2_rmsd.json +59 -0
- 8sit_H_L_A_sample_2_rmsd.json +59 -0
- 8sit_H_L_A_sample_3_rmsd.json +59 -0
- 8smm_H_L_A_sample_0_rmsd.json +59 -0
- 8smm_H_L_A_sample_1_rmsd.json +59 -0
- 8smm_H_L_A_sample_1_rmsd_backbone.json +59 -0
- 8smn_H_L_A_sample_1_rmsd.json +59 -0
8euq_C_D_AB_sample_0_rmsd_backbone.json
ADDED
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{
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"entry": "8euq_C_D_AB_sample_0",
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"success": true,
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"error": null,
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"rmsd": {
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"total": 1.5689883828163147,
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"cdr": 0.6805942058563232,
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"framework": 1.5205954909324646,
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"cdr_fw_aligned": 1.9608420729637146
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"num_gt_atoms": 1736,
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"alignment_coverage": {
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"pred_coverage": 0.9931350114416476,
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"gt_coverage": 1.0,
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"full_coverage": false
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"heavy_chain": {
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"chain_id": "C",
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"total": 1.9108607769012451,
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"cdr": 0.8054609894752502,
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"framework": 1.9445178508758545,
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"cdr_fw_aligned": 1.7173489332199097,
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"cdr1": 0.3397184908390045,
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"cdr2": 0.22019582986831665,
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"cdr3": 1.0239243507385254,
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"cdr1_fw_aligned": 1.8582093715667725,
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"cdr2_fw_aligned": 1.6482895612716675,
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"cdr3_fw_aligned": 1.6590157747268677,
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"num_residues": 222,
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"num_cdr_residues": 24
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},
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"light_chain": {
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"chain_id": "D",
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"total": 1.2271159887313843,
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"cdr": 0.5557274222373962,
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"framework": 1.0966731309890747,
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"cdr_fw_aligned": 2.2043352127075195,
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"cdr1": 0.3342881500720978,
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"cdr2": 0.4913887083530426,
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"cdr3": 0.3772883713245392,
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"cdr1_fw_aligned": 1.725537896156311,
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"cdr2_fw_aligned": 1.9047727584838867,
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"cdr3_fw_aligned": 2.8488805294036865,
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"num_residues": 212,
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"num_cdr_residues": 27
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},
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"heavy_chain_atom_counts": {
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"num_pred_atoms": 892,
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"num_gt_atoms": 888,
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"num_aligned_atoms": 888
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"light_chain_atom_counts": {
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"num_aligned_atoms": 848
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8q7o_A__C_sample_4_rmsd.json
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{
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"entry": "8q7o_A__C_sample_4",
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"success": true,
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"error": null,
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"rmsd": {
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"total": 1.1282271146774292,
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"cdr": 1.4191278219223022,
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| 8 |
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"framework": 1.064660668373108,
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"cdr_fw_aligned": 1.4588252305984497
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"num_pred_atoms": 902,
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| 12 |
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"num_gt_atoms": 904,
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"num_aligned_atoms": 844,
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| 14 |
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"alignment_coverage": {
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| 15 |
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"pred_coverage": 0.9356984478935698,
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"gt_coverage": 0.9336283185840708,
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"full_coverage": false
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},
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"heavy_chain": {
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"chain_id": "A",
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| 21 |
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"total": 1.1282271146774292,
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"cdr": 1.4191278219223022,
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| 23 |
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"framework": 1.064660668373108,
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| 24 |
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"cdr_fw_aligned": 1.4588252305984497,
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| 25 |
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"cdr1": 2.1113975048065186,
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"cdr2": 0.27707093954086304,
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"cdr3": 0.867530107498169,
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| 28 |
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"cdr1_fw_aligned": 2.2957816123962402,
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| 29 |
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"cdr2_fw_aligned": 0.8270983099937439,
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"cdr3_fw_aligned": 0.9537156224250793,
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| 31 |
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"num_residues": 120,
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| 32 |
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"num_cdr_residues": 23
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| 33 |
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"heavy_chain_atom_counts": {
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"num_pred_atoms": 902,
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| 36 |
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"num_gt_atoms": 904,
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| 37 |
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"num_aligned_atoms": 844
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}
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}
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8q7s_F__D_sample_0_rmsd.json
ADDED
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@@ -0,0 +1,39 @@
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{
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"entry": "8q7s_F__D_sample_0",
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"success": true,
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| 4 |
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"error": null,
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"rmsd": {
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"total": 1.6665745973587036,
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"cdr": 2.690906286239624,
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"framework": 1.1361403465270996,
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"cdr_fw_aligned": 3.09584379196167
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},
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| 11 |
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"num_pred_atoms": 948,
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| 12 |
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"num_gt_atoms": 966,
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| 13 |
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"num_aligned_atoms": 890,
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| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9388185654008439,
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| 16 |
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"gt_coverage": 0.9213250517598344,
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| 17 |
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"full_coverage": false
|
| 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": "F",
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| 21 |
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"total": 1.6665745973587036,
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"cdr": 2.690906286239624,
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"cdr1": 3.0462067127227783,
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"cdr2": 0.2803758978843689,
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"cdr3": 2.252053737640381,
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"cdr1_fw_aligned": 5.030590534210205,
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"cdr2_fw_aligned": 1.1569677591323853,
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"cdr3_fw_aligned": 2.5094456672668457,
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| 31 |
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"num_residues": 128,
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| 32 |
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"num_cdr_residues": 32
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| 33 |
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| 34 |
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"heavy_chain_atom_counts": {
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| 38 |
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}
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| 39 |
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}
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8q7s_F__D_sample_1_rmsd.json
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{
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"entry": "8q7s_F__D_sample_1",
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"success": true,
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| 4 |
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"error": null,
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| 5 |
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"rmsd": {
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"num_pred_atoms": 948,
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| 14 |
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"cdr2_fw_aligned": 1.1625620126724243,
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| 31 |
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"num_residues": 128,
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| 32 |
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| 33 |
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| 34 |
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| 37 |
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| 38 |
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}
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| 39 |
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}
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8q94_C__A_sample_1_rmsd.json
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{
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"entry": "8q94_C__A_sample_1",
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"success": true,
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| 4 |
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"error": null,
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| 5 |
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"rmsd": {
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| 6 |
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"total": 2.1111040115356445,
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| 7 |
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"cdr": 3.093627691268921,
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| 8 |
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"framework": 1.6575267314910889,
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| 9 |
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"cdr_fw_aligned": 3.429501533508301
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| 10 |
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},
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| 11 |
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"num_pred_atoms": 947,
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| 12 |
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"num_gt_atoms": 958,
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| 13 |
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"num_aligned_atoms": 879,
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| 14 |
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"alignment_coverage": {
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| 15 |
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"pred_coverage": 0.928194297782471,
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| 16 |
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"gt_coverage": 0.9175365344467641,
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| 17 |
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"full_coverage": false
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| 18 |
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},
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| 19 |
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"heavy_chain": {
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| 20 |
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"chain_id": "C",
|
| 21 |
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"total": 2.1111040115356445,
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| 22 |
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"cdr": 3.093627691268921,
|
| 23 |
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"framework": 1.6575267314910889,
|
| 24 |
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"cdr_fw_aligned": 3.429501533508301,
|
| 25 |
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"cdr1": 2.2289342880249023,
|
| 26 |
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|
| 27 |
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"cdr3": 3.215785503387451,
|
| 28 |
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"cdr1_fw_aligned": 4.634334087371826,
|
| 29 |
+
"cdr2_fw_aligned": 1.2768175601959229,
|
| 30 |
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"cdr3_fw_aligned": 3.350393056869507,
|
| 31 |
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"num_residues": 127,
|
| 32 |
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"num_cdr_residues": 32
|
| 33 |
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},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
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"num_gt_atoms": 958,
|
| 37 |
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"num_aligned_atoms": 879
|
| 38 |
+
}
|
| 39 |
+
}
|
8q94_C__A_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
|
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|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8q94_C__A_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.5090186595916748,
|
| 7 |
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"cdr": 2.2991507053375244,
|
| 8 |
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"framework": 0.8600112795829773,
|
| 9 |
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"cdr_fw_aligned": 2.7185404300689697
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 528,
|
| 12 |
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"num_gt_atoms": 508,
|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9621212121212122,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
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"total": 1.5090186595916748,
|
| 22 |
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"cdr": 2.2991507053375244,
|
| 23 |
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"framework": 0.8600112795829773,
|
| 24 |
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"cdr_fw_aligned": 2.7185404300689697,
|
| 25 |
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"cdr1": 1.7949169874191284,
|
| 26 |
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"cdr2": 0.49029260873794556,
|
| 27 |
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"cdr3": 2.330430507659912,
|
| 28 |
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"cdr1_fw_aligned": 3.7742760181427,
|
| 29 |
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"cdr2_fw_aligned": 1.0788201093673706,
|
| 30 |
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"cdr3_fw_aligned": 2.613685369491577,
|
| 31 |
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"num_residues": 127,
|
| 32 |
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"num_cdr_residues": 32
|
| 33 |
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},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
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"num_pred_atoms": 528,
|
| 36 |
+
"num_gt_atoms": 508,
|
| 37 |
+
"num_aligned_atoms": 508
|
| 38 |
+
}
|
| 39 |
+
}
|
8qf5_G__H_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
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|
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|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qf5_G__H_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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"cdr": 3.350921869277954,
|
| 8 |
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"framework": 2.072726249694824,
|
| 9 |
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"cdr_fw_aligned": 6.990230083465576
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 882,
|
| 12 |
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"num_gt_atoms": 894,
|
| 13 |
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"num_aligned_atoms": 857,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.971655328798186,
|
| 16 |
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"gt_coverage": 0.9586129753914989,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "G",
|
| 21 |
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"total": 3.05961012840271,
|
| 22 |
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"cdr": 3.350921869277954,
|
| 23 |
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"framework": 2.072726249694824,
|
| 24 |
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"cdr_fw_aligned": 6.990230083465576,
|
| 25 |
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"cdr1": 2.3513424396514893,
|
| 26 |
+
"cdr2": 0.3215789496898651,
|
| 27 |
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"cdr3": 2.642885684967041,
|
| 28 |
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"cdr1_fw_aligned": 3.323695659637451,
|
| 29 |
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"cdr2_fw_aligned": 0.6595285534858704,
|
| 30 |
+
"cdr3_fw_aligned": 9.873946189880371,
|
| 31 |
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"num_residues": 120,
|
| 32 |
+
"num_cdr_residues": 22
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 882,
|
| 36 |
+
"num_gt_atoms": 894,
|
| 37 |
+
"num_aligned_atoms": 857
|
| 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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|
|
|
|
|
|
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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_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.959562063217163,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 882,
|
| 12 |
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"num_gt_atoms": 894,
|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 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": 0.5307528376579285,
|
| 30 |
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|
| 31 |
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"num_residues": 120,
|
| 32 |
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"num_cdr_residues": 22
|
| 33 |
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},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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"num_pred_atoms": 882,
|
| 36 |
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"num_gt_atoms": 894,
|
| 37 |
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"num_aligned_atoms": 857
|
| 38 |
+
}
|
| 39 |
+
}
|
8qf5_G__H_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qf5_G__H_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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"num_gt_atoms": 480,
|
| 13 |
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"num_aligned_atoms": 480,
|
| 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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|
| 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": 2.3950393199920654,
|
| 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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"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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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
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|
|
|
|
|
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|
|
|
|
|
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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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"rmsd": {
|
| 6 |
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"total": 1.7007725238800049,
|
| 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": 948,
|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.6918833727344366,
|
| 16 |
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"gt_coverage": 0.9261603375527426,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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"total": 1.7007725238800049,
|
| 22 |
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"cdr": 2.181950092315674,
|
| 23 |
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|
| 24 |
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|
| 25 |
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"cdr1": 2.472858190536499,
|
| 26 |
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"cdr2": 0.2832627594470978,
|
| 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 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
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|
| 36 |
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|
| 37 |
+
"num_aligned_atoms": 878
|
| 38 |
+
}
|
| 39 |
+
}
|
8qot_B__A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
|
|
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|
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|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
+
"entry": "8qot_B__A_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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"cdr_fw_aligned": 3.7522737979888916
|
| 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": 0.6918833727344366,
|
| 16 |
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"gt_coverage": 0.9261603375527426,
|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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"cdr1": 2.51560640335083,
|
| 26 |
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"cdr2": 0.1848149299621582,
|
| 27 |
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"cdr3": 1.891374111175537,
|
| 28 |
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"cdr1_fw_aligned": 3.1341328620910645,
|
| 29 |
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"cdr2_fw_aligned": 0.5418058037757874,
|
| 30 |
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|
| 31 |
+
"num_residues": 125,
|
| 32 |
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"num_cdr_residues": 27
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 1269,
|
| 36 |
+
"num_gt_atoms": 948,
|
| 37 |
+
"num_aligned_atoms": 878
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz1_C__B_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
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|
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|
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|
|
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|
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|
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|
|
|
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|
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|
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|
|
|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz1_C__B_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.528623342514038,
|
| 7 |
+
"cdr": 1.966580867767334,
|
| 8 |
+
"framework": 1.1949471235275269,
|
| 9 |
+
"cdr_fw_aligned": 2.451897144317627
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 544,
|
| 12 |
+
"num_gt_atoms": 516,
|
| 13 |
+
"num_aligned_atoms": 516,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9485294117647058,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
+
"total": 1.528623342514038,
|
| 22 |
+
"cdr": 1.966580867767334,
|
| 23 |
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"framework": 1.1949471235275269,
|
| 24 |
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"cdr_fw_aligned": 2.451897144317627,
|
| 25 |
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"cdr1": 2.6827850341796875,
|
| 26 |
+
"cdr2": 0.26220807433128357,
|
| 27 |
+
"cdr3": 0.8817699551582336,
|
| 28 |
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"cdr1_fw_aligned": 3.978228807449341,
|
| 29 |
+
"cdr2_fw_aligned": 2.4489152431488037,
|
| 30 |
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"cdr3_fw_aligned": 1.405587911605835,
|
| 31 |
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"num_residues": 129,
|
| 32 |
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"num_cdr_residues": 30
|
| 33 |
+
},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 544,
|
| 36 |
+
"num_gt_atoms": 516,
|
| 37 |
+
"num_aligned_atoms": 516
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz3_C__B_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
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|
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|
|
|
|
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|
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|
|
|
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|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz3_C__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": 1.2833871841430664,
|
| 7 |
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"cdr": 1.620747685432434,
|
| 8 |
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"framework": 1.1724414825439453,
|
| 9 |
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"cdr_fw_aligned": 1.725929617881775
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 1023,
|
| 12 |
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"num_gt_atoms": 963,
|
| 13 |
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"num_aligned_atoms": 888,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.8680351906158358,
|
| 16 |
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"gt_coverage": 0.9221183800623053,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "C",
|
| 21 |
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"total": 1.2833871841430664,
|
| 22 |
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"cdr": 1.620747685432434,
|
| 23 |
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"framework": 1.1724414825439453,
|
| 24 |
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"cdr_fw_aligned": 1.725929617881775,
|
| 25 |
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"cdr1": 1.9384231567382812,
|
| 26 |
+
"cdr2": 0.4457530677318573,
|
| 27 |
+
"cdr3": 1.18707275390625,
|
| 28 |
+
"cdr1_fw_aligned": 2.366921901702881,
|
| 29 |
+
"cdr2_fw_aligned": 1.0636051893234253,
|
| 30 |
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"cdr3_fw_aligned": 1.6025358438491821,
|
| 31 |
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"num_residues": 127,
|
| 32 |
+
"num_cdr_residues": 31
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 1023,
|
| 36 |
+
"num_gt_atoms": 963,
|
| 37 |
+
"num_aligned_atoms": 888
|
| 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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|
|
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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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"num_pred_atoms": 1023,
|
| 12 |
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"num_gt_atoms": 963,
|
| 13 |
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"num_aligned_atoms": 888,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.8680351906158358,
|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "C",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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"cdr_fw_aligned": 1.434828281402588,
|
| 25 |
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"cdr1": 1.9178649187088013,
|
| 26 |
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"cdr2": 0.3120555281639099,
|
| 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": 963,
|
| 37 |
+
"num_aligned_atoms": 888
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz7_B__A_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz7_B__A_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
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|
| 37 |
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"num_aligned_atoms": 496
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz7_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 |
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"entry": "8qz7_B__A_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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"framework": 1.063187599182129,
|
| 24 |
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"cdr_fw_aligned": 2.8909618854522705,
|
| 25 |
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"cdr1": 1.5202317237854004,
|
| 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 |
+
}
|
8r1c_H_L_A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
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|
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|
|
|
|
|
|
|
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|
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|
|
|
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|
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|
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|
|
| 1 |
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{
|
| 2 |
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"entry": "8r1c_H_L_A_sample_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": 1.3118211925029755,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 0.558493971824646,
|
| 30 |
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|
| 31 |
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"num_residues": 124,
|
| 32 |
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|
| 33 |
+
},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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"total": 0.5870079398155212,
|
| 37 |
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"cdr": 0.521897554397583,
|
| 38 |
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"framework": 0.5616056323051453,
|
| 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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"num_aligned_atoms": 496
|
| 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": 436
|
| 58 |
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}
|
| 59 |
+
}
|
8r40_A_a_C_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
|
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|
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|
|
|
|
|
|
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|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r40_A_a_C_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "A",
|
| 21 |
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"total": 16.107633590698242,
|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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"cdr3": 3.5359368324279785,
|
| 28 |
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"cdr1_fw_aligned": 29.05366325378418,
|
| 29 |
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"cdr2_fw_aligned": 27.302093505859375,
|
| 30 |
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"cdr3_fw_aligned": 31.96019744873047,
|
| 31 |
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|
| 32 |
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"num_cdr_residues": 31
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "A",
|
| 36 |
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"total": 16.107633590698242,
|
| 37 |
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|
| 38 |
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"framework": 13.940839767456055,
|
| 39 |
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"cdr_fw_aligned": 30.278596878051758,
|
| 40 |
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|
| 41 |
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|
| 42 |
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"cdr3": 1.5531600713729858,
|
| 43 |
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"cdr1_fw_aligned": 30.753801345825195,
|
| 44 |
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"cdr2_fw_aligned": 30.767892837524414,
|
| 45 |
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"cdr3_fw_aligned": 29.41992950439453,
|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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}
|
| 59 |
+
}
|
8r4d_B__A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r4d_B__A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.8048651218414307,
|
| 7 |
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"cdr": 3.97121000289917,
|
| 8 |
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"framework": 1.5103462934494019,
|
| 9 |
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"cdr_fw_aligned": 5.155206680297852
|
| 10 |
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},
|
| 11 |
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|
| 12 |
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"num_gt_atoms": 428,
|
| 13 |
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|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.781021897810219,
|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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|
| 22 |
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|
| 23 |
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"framework": 1.5103462934494019,
|
| 24 |
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|
| 25 |
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|
| 26 |
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"cdr2": 1.5862243175506592,
|
| 27 |
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|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 5.336099147796631,
|
| 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": 428,
|
| 37 |
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"num_aligned_atoms": 428
|
| 38 |
+
}
|
| 39 |
+
}
|
8r4d_B__A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r4d_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 |
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},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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"cdr1": 1.1753283739089966,
|
| 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 |
+
}
|
8r9y_B_C_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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|
| 1 |
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{
|
| 2 |
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"entry": "8r9y_B_C_A_sample_0",
|
| 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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"cdr3_fw_aligned": 5.826412677764893,
|
| 31 |
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|
| 32 |
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"num_cdr_residues": 27
|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "C",
|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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"cdr2": 0.4266410768032074,
|
| 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 |
+
}
|
8r9y_B_C_A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
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|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8r9y_B_C_A_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.4144737124443054,
|
| 7 |
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"cdr": 2.2629969716072083,
|
| 8 |
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"framework": 2.2559784650802612,
|
| 9 |
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"cdr_fw_aligned": 3.7980562448501587
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 3168,
|
| 12 |
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"num_gt_atoms": 3235,
|
| 13 |
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"num_aligned_atoms": 3107,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9807449494949495,
|
| 16 |
+
"gt_coverage": 0.9604327666151469,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
+
"total": 2.857603073120117,
|
| 22 |
+
"cdr": 3.7096309661865234,
|
| 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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| 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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|
8r9y_B_C_A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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|
| 1 |
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{
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| 2 |
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"entry": "8r9y_B_C_A_sample_2",
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| 3 |
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| 4 |
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| 6 |
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| 7 |
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| 8 |
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| 10 |
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|
| 12 |
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| 13 |
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| 14 |
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| 15 |
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| 16 |
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| 17 |
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| 18 |
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| 19 |
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| 20 |
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| 21 |
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| 22 |
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| 23 |
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| 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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| 42 |
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| 48 |
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| 49 |
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| 54 |
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| 58 |
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|
| 59 |
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|
8r9y_H_L_A_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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|
| 3 |
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| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 10 |
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|
| 12 |
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|
| 13 |
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| 14 |
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| 15 |
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| 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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| 30 |
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| 31 |
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| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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| 36 |
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| 48 |
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| 49 |
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| 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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|
8r9z_B_C_A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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|
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|
| 1 |
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{
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| 2 |
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"entry": "8r9z_B_C_A_sample_2",
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| 3 |
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| 4 |
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| 5 |
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| 6 |
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| 7 |
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|
| 12 |
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| 13 |
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| 14 |
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| 16 |
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| 18 |
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| 19 |
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| 21 |
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| 22 |
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|
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| 33 |
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|
| 58 |
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|
| 59 |
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|
8r9z_B_C_A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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|
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|
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|
| 1 |
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{
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| 2 |
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| 3 |
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| 13 |
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|
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "C",
|
| 36 |
+
"total": 1.2470462322235107,
|
| 37 |
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"cdr": 0.6571299433708191,
|
| 38 |
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"framework": 1.2728044986724854,
|
| 39 |
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"cdr_fw_aligned": 1.0582599639892578,
|
| 40 |
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"cdr1": 0.7309263348579407,
|
| 41 |
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"cdr2": 0.32320305705070496,
|
| 42 |
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"cdr3": 0.6615812182426453,
|
| 43 |
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"cdr1_fw_aligned": 1.110467553138733,
|
| 44 |
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"cdr2_fw_aligned": 0.8037184476852417,
|
| 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": 1556
|
| 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": 1622,
|
| 57 |
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"num_aligned_atoms": 1551
|
| 58 |
+
}
|
| 59 |
+
}
|
8r9z_B_C_A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
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|
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|
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|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
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|
|
|
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|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r9z_B_C_A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.3689162731170654,
|
| 7 |
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|
| 8 |
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"framework": 2.1114335656166077,
|
| 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 |
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"chain_id": "B",
|
| 21 |
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"total": 2.7266104221343994,
|
| 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": 0.32048290967941284,
|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 3.9635794162750244,
|
| 29 |
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"cdr2_fw_aligned": 3.2728421688079834,
|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
+
},
|
| 34 |
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"light_chain": {
|
| 35 |
+
"chain_id": "C",
|
| 36 |
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"total": 2.0112221240997314,
|
| 37 |
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"cdr": 0.5329753756523132,
|
| 38 |
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"framework": 1.953070044517517,
|
| 39 |
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"cdr_fw_aligned": 2.7010176181793213,
|
| 40 |
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"cdr1": 0.6822282671928406,
|
| 41 |
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"cdr2": 0.2836088538169861,
|
| 42 |
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"cdr3": 0.2838793992996216,
|
| 43 |
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"cdr1_fw_aligned": 3.0136077404022217,
|
| 44 |
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"cdr2_fw_aligned": 2.6317262649536133,
|
| 45 |
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"cdr3_fw_aligned": 2.323699951171875,
|
| 46 |
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"num_residues": 209,
|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
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},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 836,
|
| 57 |
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"num_aligned_atoms": 836
|
| 58 |
+
}
|
| 59 |
+
}
|
8r9z_H_L_A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
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|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r9z_H_L_A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": true
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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"num_residues": 219,
|
| 32 |
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"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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|
| 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 |
+
}
|
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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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8rek_H_L_A_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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},
|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
+
}
|
| 59 |
+
}
|
8rh0_H_L_A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8rh0_H_L_A_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.1023226380348206,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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"num_aligned_atoms": 896,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.3373493975903614,
|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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"total": 1.4194988012313843,
|
| 22 |
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|
| 23 |
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| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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"cdr3_fw_aligned": 3.836081027984619,
|
| 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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"cdr1_fw_aligned": 0.6994859576225281,
|
| 44 |
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"cdr2_fw_aligned": 0.5214430093765259,
|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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"num_gt_atoms": 476,
|
| 52 |
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"num_aligned_atoms": 476
|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
+
"num_gt_atoms": 420,
|
| 57 |
+
"num_aligned_atoms": 420
|
| 58 |
+
}
|
| 59 |
+
}
|
8rh2_H_L_B_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
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|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8rh2_H_L_B_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.0988765358924866,
|
| 7 |
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|
| 8 |
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"framework": 0.9298789501190186,
|
| 9 |
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|
| 10 |
+
},
|
| 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": 0.3146448523543496,
|
| 16 |
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"gt_coverage": 0.9420549581839904,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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"total": 1.270437479019165,
|
| 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": 0.4687924385070801,
|
| 30 |
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"cdr3_fw_aligned": 3.16831636428833,
|
| 31 |
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|
| 32 |
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|
| 33 |
+
},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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|
| 37 |
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|
| 38 |
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"framework": 0.9374474883079529,
|
| 39 |
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|
| 40 |
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|
| 41 |
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"cdr2": 0.6309916973114014,
|
| 42 |
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"cdr3": 0.530064582824707,
|
| 43 |
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"cdr1_fw_aligned": 0.7214187979698181,
|
| 44 |
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"cdr2_fw_aligned": 0.702562153339386,
|
| 45 |
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"cdr3_fw_aligned": 1.3875707387924194,
|
| 46 |
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"num_residues": 105,
|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
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},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 716
|
| 58 |
+
}
|
| 59 |
+
}
|
8rh2_H_L_B_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": "8rh2_H_L_B_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.1306112706661224,
|
| 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": 0.3146448523543496,
|
| 16 |
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"gt_coverage": 0.9420549581839904,
|
| 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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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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},
|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 716
|
| 58 |
+
}
|
| 59 |
+
}
|
8rrn_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8rrn_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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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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| 38 |
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|
| 39 |
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| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
+
}
|
| 59 |
+
}
|
8rz1_A_a_B_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
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|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8rz1_A_a_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": 0.8477029204368591,
|
| 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": 0.8,
|
| 16 |
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|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "A",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 25 |
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|
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| 27 |
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|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 1.0651838779449463,
|
| 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": "A",
|
| 36 |
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"total": 0.8477029204368591,
|
| 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": 228,
|
| 47 |
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"num_cdr_residues": 31
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 1140,
|
| 51 |
+
"num_gt_atoms": 912,
|
| 52 |
+
"num_aligned_atoms": 912
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
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|
| 56 |
+
"num_gt_atoms": 912,
|
| 57 |
+
"num_aligned_atoms": 912
|
| 58 |
+
}
|
| 59 |
+
}
|
8rz2_B_C_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8rz2_B_C_A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
+
"total": 4.517725467681885,
|
| 7 |
+
"cdr": 1.1671473383903503,
|
| 8 |
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"framework": 4.394627213478088,
|
| 9 |
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"cdr_fw_aligned": 6.213890790939331
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 3641,
|
| 12 |
+
"num_gt_atoms": 3189,
|
| 13 |
+
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|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.8456468003295798,
|
| 16 |
+
"gt_coverage": 0.9655064283474444,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
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"total": 5.018949508666992,
|
| 22 |
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"cdr": 1.8754886388778687,
|
| 23 |
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"framework": 4.949169635772705,
|
| 24 |
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|
| 25 |
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"cdr1": 0.4671252965927124,
|
| 26 |
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|
| 27 |
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"cdr3": 2.4392201900482178,
|
| 28 |
+
"cdr1_fw_aligned": 7.139695167541504,
|
| 29 |
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"cdr2_fw_aligned": 6.858531475067139,
|
| 30 |
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"cdr3_fw_aligned": 4.92318058013916,
|
| 31 |
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"num_residues": 215,
|
| 32 |
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"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "C",
|
| 36 |
+
"total": 4.016501426696777,
|
| 37 |
+
"cdr": 0.45880603790283203,
|
| 38 |
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"framework": 3.8400847911834717,
|
| 39 |
+
"cdr_fw_aligned": 6.287124156951904,
|
| 40 |
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"cdr1": 0.44306257367134094,
|
| 41 |
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"cdr2": 0.2935471832752228,
|
| 42 |
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"cdr3": 0.3900928795337677,
|
| 43 |
+
"cdr1_fw_aligned": 7.120400428771973,
|
| 44 |
+
"cdr2_fw_aligned": 5.161198616027832,
|
| 45 |
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"cdr3_fw_aligned": 5.956672668457031,
|
| 46 |
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"num_residues": 211,
|
| 47 |
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"num_cdr_residues": 31
|
| 48 |
+
},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 1902,
|
| 51 |
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"num_gt_atoms": 1612,
|
| 52 |
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"num_aligned_atoms": 1561
|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 1739,
|
| 56 |
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"num_gt_atoms": 1577,
|
| 57 |
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"num_aligned_atoms": 1518
|
| 58 |
+
}
|
| 59 |
+
}
|
8s0n_B__A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
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|
|
|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8s0n_B__A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
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"total": 1.3094923496246338,
|
| 7 |
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"cdr": 2.093655586242676,
|
| 8 |
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"framework": 0.6905497312545776,
|
| 9 |
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"cdr_fw_aligned": 2.4914188385009766
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 600,
|
| 12 |
+
"num_gt_atoms": 520,
|
| 13 |
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"num_aligned_atoms": 520,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.8666666666666667,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
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"total": 1.3094923496246338,
|
| 22 |
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"cdr": 2.093655586242676,
|
| 23 |
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"framework": 0.6905497312545776,
|
| 24 |
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"cdr_fw_aligned": 2.4914188385009766,
|
| 25 |
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"cdr1": 0.3034857213497162,
|
| 26 |
+
"cdr2": 0.25638535618782043,
|
| 27 |
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"cdr3": 2.521876096725464,
|
| 28 |
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"cdr1_fw_aligned": 0.8057193160057068,
|
| 29 |
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"cdr2_fw_aligned": 0.4499901533126831,
|
| 30 |
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"cdr3_fw_aligned": 3.1860718727111816,
|
| 31 |
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"num_residues": 130,
|
| 32 |
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"num_cdr_residues": 32
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
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"num_pred_atoms": 600,
|
| 36 |
+
"num_gt_atoms": 520,
|
| 37 |
+
"num_aligned_atoms": 520
|
| 38 |
+
}
|
| 39 |
+
}
|
8s5w_B__A_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
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|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8s5w_B__A_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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"cdr_fw_aligned": 6.617397785186768
|
| 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 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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"total": 2.94610595703125,
|
| 22 |
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"cdr": 4.595190048217773,
|
| 23 |
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"framework": 0.584331214427948,
|
| 24 |
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"cdr_fw_aligned": 6.617397785186768,
|
| 25 |
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"cdr1": 2.482455253601074,
|
| 26 |
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"cdr2": 1.6186167001724243,
|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 3.4589362144470215,
|
| 29 |
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"cdr2_fw_aligned": 2.0557808876037598,
|
| 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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"num_pred_atoms": 560,
|
| 36 |
+
"num_gt_atoms": 488,
|
| 37 |
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"num_aligned_atoms": 488
|
| 38 |
+
}
|
| 39 |
+
}
|
8s5w_B__A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
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|
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|
|
|
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|
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|
|
|
|
|
|
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|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
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|
|
|
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|
|
|
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|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"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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|
| 6 |
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| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 560,
|
| 12 |
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"num_gt_atoms": 488,
|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.8714285714285714,
|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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"cdr1": 2.385061025619507,
|
| 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": 122,
|
| 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": 488,
|
| 37 |
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"num_aligned_atoms": 488
|
| 38 |
+
}
|
| 39 |
+
}
|
8s61_B__A_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
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|
|
|
|
|
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|
|
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|
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|
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|
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|
|
|
|
|
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|
|
|
|
|
|
|
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|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8s61_B__A_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.936941146850586,
|
| 7 |
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"cdr": 4.43931770324707,
|
| 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 |
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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 |
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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": 2.936941146850586,
|
| 22 |
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"cdr": 4.43931770324707,
|
| 23 |
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"framework": 0.6959159970283508,
|
| 24 |
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"cdr_fw_aligned": 6.550976753234863,
|
| 25 |
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"cdr1": 2.542386293411255,
|
| 26 |
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"cdr2": 1.5645320415496826,
|
| 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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"num_pred_atoms": 488,
|
| 36 |
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"num_gt_atoms": 488,
|
| 37 |
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"num_aligned_atoms": 488
|
| 38 |
+
}
|
| 39 |
+
}
|
8sfx_D__B_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sfx_D__B_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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"num_pred_atoms": 568,
|
| 12 |
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"num_gt_atoms": 480,
|
| 13 |
+
"num_aligned_atoms": 480,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
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|
| 16 |
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|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "D",
|
| 21 |
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"total": 0.8255714178085327,
|
| 22 |
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"cdr": 0.9972810745239258,
|
| 23 |
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"framework": 0.7382895946502686,
|
| 24 |
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"cdr_fw_aligned": 1.1708333492279053,
|
| 25 |
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"cdr1": 0.2950589954853058,
|
| 26 |
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|
| 27 |
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"cdr3": 0.5043855309486389,
|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 1.8310649394989014,
|
| 30 |
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"cdr3_fw_aligned": 0.8943635821342468,
|
| 31 |
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"num_residues": 120,
|
| 32 |
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"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 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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|
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|
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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": "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": 1.0761096477508545,
|
| 7 |
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|
| 8 |
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"framework": 0.681056946516037,
|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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"num_gt_atoms": 924,
|
| 13 |
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"num_aligned_atoms": 924,
|
| 14 |
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|
| 15 |
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|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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|
| 22 |
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"cdr": 2.621187686920166,
|
| 23 |
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|
| 24 |
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|
| 25 |
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"cdr1": 0.41761505603790283,
|
| 26 |
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|
| 27 |
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"cdr3": 2.9029932022094727,
|
| 28 |
+
"cdr1_fw_aligned": 0.7015754580497742,
|
| 29 |
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"cdr2_fw_aligned": 0.868305504322052,
|
| 30 |
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"cdr3_fw_aligned": 4.597306728363037,
|
| 31 |
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"num_residues": 121,
|
| 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": 0.6067503690719604,
|
| 37 |
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|
| 38 |
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"framework": 0.5450486540794373,
|
| 39 |
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"cdr_fw_aligned": 0.77944016456604,
|
| 40 |
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"cdr1": 0.45005884766578674,
|
| 41 |
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"cdr2": 0.3602759540081024,
|
| 42 |
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"cdr3": 0.771986186504364,
|
| 43 |
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"cdr1_fw_aligned": 0.6114338040351868,
|
| 44 |
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"cdr2_fw_aligned": 0.5588935613632202,
|
| 45 |
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"cdr3_fw_aligned": 1.0957140922546387,
|
| 46 |
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"num_residues": 110,
|
| 47 |
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"num_cdr_residues": 30
|
| 48 |
+
},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 996,
|
| 51 |
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"num_gt_atoms": 484,
|
| 52 |
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"num_aligned_atoms": 484
|
| 53 |
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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": 440,
|
| 57 |
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"num_aligned_atoms": 440
|
| 58 |
+
}
|
| 59 |
+
}
|
8sgt_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sgt_H_L_A_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 0.9044443964958191,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 1804,
|
| 12 |
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|
| 13 |
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"num_aligned_atoms": 924,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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"total": 1.0794939994812012,
|
| 22 |
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"cdr": 1.6538208723068237,
|
| 23 |
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"framework": 0.7267889380455017,
|
| 24 |
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|
| 25 |
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"cdr1": 0.4136158525943756,
|
| 26 |
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|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 0.777625322341919,
|
| 29 |
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"cdr2_fw_aligned": 0.5340341925621033,
|
| 30 |
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|
| 31 |
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"num_residues": 121,
|
| 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": 0.729394793510437,
|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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"num_cdr_residues": 30
|
| 48 |
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},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 440,
|
| 57 |
+
"num_aligned_atoms": 440
|
| 58 |
+
}
|
| 59 |
+
}
|
8sgt_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sgt_H_L_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": 1.201520025730133,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
+
"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 744
|
| 58 |
+
}
|
| 59 |
+
}
|
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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sic_A_B_E_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 8.335050106048584,
|
| 7 |
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|
| 8 |
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|
| 9 |
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"cdr_fw_aligned": 11.903982639312744
|
| 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": 0.9779366065879428,
|
| 16 |
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"gt_coverage": 0.9588665447897623,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "A",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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"cdr3_fw_aligned": 6.912225246429443,
|
| 31 |
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"num_residues": 222,
|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "B",
|
| 36 |
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"total": 8.184209823608398,
|
| 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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"num_gt_atoms": 1678,
|
| 52 |
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"num_aligned_atoms": 1608
|
| 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": 1539
|
| 58 |
+
}
|
| 59 |
+
}
|
8sit_H_L_A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8sit_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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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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}
|
| 59 |
+
}
|
8sit_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8sit_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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|
| 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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| 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 |
+
}
|
8smm_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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|
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|
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|
|
|
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|
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|
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|
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|
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|
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|
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|
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|
| 1 |
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{
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| 2 |
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| 3 |
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|
| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 10 |
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|
| 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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| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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| 37 |
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|
| 48 |
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|
| 49 |
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|
| 51 |
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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 |
+
}
|
8smm_H_L_A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
|
|
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|
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|
|
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|
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|
|
|
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|
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|
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|
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|
|
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|
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|
|
|
|
|
|
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|
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|
|
|
|
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|
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|
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|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
| 1 |
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{
|
| 2 |
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|
| 3 |
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|
| 4 |
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|
| 5 |
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| 6 |
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|
| 7 |
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|
| 10 |
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|
| 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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|
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|
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|
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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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|
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|
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|
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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 |
+
"num_aligned_atoms": 870
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 1625,
|
| 56 |
+
"num_gt_atoms": 795,
|
| 57 |
+
"num_aligned_atoms": 748
|
| 58 |
+
}
|
| 59 |
+
}
|
8smm_H_L_A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
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|
| 1 |
+
{
|
| 2 |
+
"entry": "8smm_H_L_A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.6398894786834717,
|
| 7 |
+
"cdr": 2.72263765335083,
|
| 8 |
+
"framework": 0.808818519115448,
|
| 9 |
+
"cdr_fw_aligned": 3.1948522329330444
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1796,
|
| 12 |
+
"num_gt_atoms": 920,
|
| 13 |
+
"num_aligned_atoms": 920,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.512249443207127,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 2.0184357166290283,
|
| 22 |
+
"cdr": 3.628519058227539,
|
| 23 |
+
"framework": 0.7481135129928589,
|
| 24 |
+
"cdr_fw_aligned": 4.291841983795166,
|
| 25 |
+
"cdr1": 0.32404381036758423,
|
| 26 |
+
"cdr2": 0.9486633539199829,
|
| 27 |
+
"cdr3": 4.296920299530029,
|
| 28 |
+
"cdr1_fw_aligned": 0.7928203344345093,
|
| 29 |
+
"cdr2_fw_aligned": 1.3737872838974,
|
| 30 |
+
"cdr3_fw_aligned": 5.865234851837158,
|
| 31 |
+
"num_residues": 124,
|
| 32 |
+
"num_cdr_residues": 27
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 1.261343240737915,
|
| 37 |
+
"cdr": 1.816756248474121,
|
| 38 |
+
"framework": 0.8695235252380371,
|
| 39 |
+
"cdr_fw_aligned": 2.097862482070923,
|
| 40 |
+
"cdr1": 2.239755153656006,
|
| 41 |
+
"cdr2": 0.32356297969818115,
|
| 42 |
+
"cdr3": 1.4632916450500488,
|
| 43 |
+
"cdr1_fw_aligned": 2.8001792430877686,
|
| 44 |
+
"cdr2_fw_aligned": 0.5179088711738586,
|
| 45 |
+
"cdr3_fw_aligned": 1.8469047546386719,
|
| 46 |
+
"num_residues": 106,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 936,
|
| 51 |
+
"num_gt_atoms": 496,
|
| 52 |
+
"num_aligned_atoms": 496
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 860,
|
| 56 |
+
"num_gt_atoms": 424,
|
| 57 |
+
"num_aligned_atoms": 424
|
| 58 |
+
}
|
| 59 |
+
}
|
8smn_H_L_A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
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|
|
|
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|
|
|
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|
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|
|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8smn_H_L_A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.746539294719696,
|
| 7 |
+
"cdr": 2.9030689001083374,
|
| 8 |
+
"framework": 1.1169642210006714,
|
| 9 |
+
"cdr_fw_aligned": 3.450669288635254
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 3333,
|
| 12 |
+
"num_gt_atoms": 1732,
|
| 13 |
+
"num_aligned_atoms": 1618,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.48544854485448546,
|
| 16 |
+
"gt_coverage": 0.9341801385681293,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.977142572402954,
|
| 22 |
+
"cdr": 3.797088623046875,
|
| 23 |
+
"framework": 0.926680326461792,
|
| 24 |
+
"cdr_fw_aligned": 4.63228178024292,
|
| 25 |
+
"cdr1": 0.6680419445037842,
|
| 26 |
+
"cdr2": 0.9701765775680542,
|
| 27 |
+
"cdr3": 4.472232341766357,
|
| 28 |
+
"cdr1_fw_aligned": 1.0031777620315552,
|
| 29 |
+
"cdr2_fw_aligned": 1.3582347631454468,
|
| 30 |
+
"cdr3_fw_aligned": 6.318460464477539,
|
| 31 |
+
"num_residues": 124,
|
| 32 |
+
"num_cdr_residues": 27
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 1.515936017036438,
|
| 37 |
+
"cdr": 2.0090491771698,
|
| 38 |
+
"framework": 1.3072481155395508,
|
| 39 |
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"cdr_fw_aligned": 2.269056797027588,
|
| 40 |
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"cdr1": 2.5291190147399902,
|
| 41 |
+
"cdr2": 0.4446009695529938,
|
| 42 |
+
"cdr3": 1.5936338901519775,
|
| 43 |
+
"cdr1_fw_aligned": 3.054840564727783,
|
| 44 |
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"cdr2_fw_aligned": 0.6098268628120422,
|
| 45 |
+
"cdr3_fw_aligned": 2.0092782974243164,
|
| 46 |
+
"num_residues": 106,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 1708,
|
| 51 |
+
"num_gt_atoms": 937,
|
| 52 |
+
"num_aligned_atoms": 870
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 1625,
|
| 56 |
+
"num_gt_atoms": 795,
|
| 57 |
+
"num_aligned_atoms": 748
|
| 58 |
+
}
|
| 59 |
+
}
|