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- 7vgs_D_C_A_sample_1_rmsd_backbone.json +59 -0
- 7xic_K_L_B_sample_4_rmsd_backbone.json +59 -0
- 8q7s_F__D_sample_2_rmsd_backbone.json +39 -0
- 8qq0_E_D_A_sample_1_rmsd_backbone.json +59 -0
- 8qz3_C__B_sample_2_rmsd_backbone.json +39 -0
- 8r4b_B__A_sample_2_rmsd_backbone.json +39 -0
- 8r4d_B__A_sample_4_rmsd_backbone.json +39 -0
- 8r8k_H_L_A_sample_4_rmsd_backbone.json +59 -0
- 8r9y_B_C_A_sample_3_rmsd_backbone.json +59 -0
- 8r9y_B_C_A_sample_4_rmsd_backbone.json +59 -0
- 8r9y_H_L_A_sample_2_rmsd_backbone.json +59 -0
- 8r9y_H_L_A_sample_3_rmsd_backbone.json +59 -0
- 8r9z_B_C_A_sample_4_rmsd_backbone.json +59 -0
- 8r9z_H_L_A_sample_2_rmsd_backbone.json +59 -0
- 8r9z_H_L_A_sample_3_rmsd_backbone.json +59 -0
- 8s61_B__A_sample_0_rmsd_backbone.json +39 -0
- 8sdg_G_I_C_sample_3_rmsd_backbone.json +59 -0
- 8sdg_G_I_C_sample_4_rmsd_backbone.json +59 -0
- 8sgi_H_L_A_sample_0_rmsd_backbone.json +59 -0
- 8sgi_H_L_A_sample_1_rmsd_backbone.json +59 -0
- 8sgj_H_L_A_sample_0_rmsd_backbone.json +59 -0
- 8sgt_H_L_A_sample_2_rmsd_backbone.json +59 -0
- 8sgt_H_L_A_sample_3_rmsd_backbone.json +59 -0
- 8sit_H_L_A_sample_4_rmsd_backbone.json +59 -0
- 8so3_Y_Z_X_sample_1_rmsd_backbone.json +59 -0
- 8t04_C_D_A_sample_2_rmsd_backbone.json +59 -0
- 8t06_C_D_A_sample_1_rmsd_backbone.json +59 -0
- 8t07_C_D_A_sample_2_rmsd_backbone.json +59 -0
- 8tbb_H_L_D_sample_0_rmsd_backbone.json +59 -0
- 8tfh_H_L_B_sample_2_rmsd_backbone.json +59 -0
- 8tfh_H_L_B_sample_3_rmsd_backbone.json +59 -0
- 8tfn_H_L_B_sample_2_rmsd_backbone.json +59 -0
- 8tkc_G_H_AB_sample_0_rmsd_backbone.json +59 -0
- 8tkc_G_H_AB_sample_1_rmsd_backbone.json +59 -0
- 8tng_H__E_sample_2_rmsd_backbone.json +39 -0
- 8too_B_A_I_sample_4_rmsd_backbone.json +59 -0
- 8tp4_H_L_C_sample_2_rmsd_backbone.json +59 -0
- 8tp4_H_L_C_sample_3_rmsd_backbone.json +59 -0
- 8tp5_E_F_C_sample_4_rmsd_backbone.json +59 -0
- 8tp7_D_F_A_sample_0_rmsd_backbone.json +59 -0
- 8tp7_D_F_A_sample_1_rmsd_backbone.json +59 -0
- 8tq9_H_L_AB_sample_4_rmsd_backbone.json +59 -0
- 8tqi_H_L_B_sample_2_rmsd_backbone.json +59 -0
- 8tvj_H_L_E_sample_4_rmsd_backbone.json +59 -0
- 8tzu_C__B_sample_2_rmsd_backbone.json +39 -0
- 8tzu_C__B_sample_3_rmsd_backbone.json +39 -0
- 8tzu_D__B_sample_1_rmsd_backbone.json +39 -0
- 8u1c_H_L_A_sample_2_rmsd_backbone.json +59 -0
- 8u1c_H_L_A_sample_3_rmsd_backbone.json +59 -0
- 8u1q_H_L_A_sample_0_rmsd_backbone.json +59 -0
7vgs_D_C_A_sample_1_rmsd_backbone.json
ADDED
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{
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"entry": "7vgs_D_C_A_sample_1",
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"success": true,
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"error": null,
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"rmsd": {
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"total": 1.0857897400856018,
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"alignment_coverage": {
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"pred_coverage": 0.9642058165548099,
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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": "D",
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"total": 1.0252066850662231,
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"cdr": 0.9762176871299744,
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"framework": 0.986760675907135,
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"cdr_fw_aligned": 1.435063123703003,
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"cdr1": 0.8932456970214844,
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"cdr2": 0.7741328477859497,
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"cdr3": 0.387052983045578,
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"cdr1_fw_aligned": 1.3749750852584839,
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"cdr2_fw_aligned": 1.7917094230651855,
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"cdr3_fw_aligned": 0.7928740382194519,
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"num_residues": 213,
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"num_cdr_residues": 17
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},
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"light_chain": {
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"chain_id": "C",
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"total": 1.1463727951049805,
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"cdr": 1.3001985549926758,
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"framework": 1.00587797164917,
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"cdr_fw_aligned": 1.9241187572479248,
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"cdr1": 1.3970675468444824,
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"cdr2": 0.9290936589241028,
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"cdr3": 1.0387110710144043,
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"cdr1_fw_aligned": 2.3420581817626953,
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| 44 |
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"cdr2_fw_aligned": 1.6065402030944824,
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"cdr3_fw_aligned": 1.265957236289978,
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"num_residues": 218,
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"num_cdr_residues": 31
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"heavy_chain_atom_counts": {
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}
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7xic_K_L_B_sample_4_rmsd_backbone.json
ADDED
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{
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"entry": "7xic_K_L_B_sample_4",
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"success": true,
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"error": null,
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| 5 |
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"rmsd": {
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| 6 |
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"total": 1.1503363251686096,
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| 7 |
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"cdr": 1.907463252544403,
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| 8 |
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"framework": 0.4624210298061371,
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"cdr_fw_aligned": 2.1590449810028076
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},
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"num_pred_atoms": 948,
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| 12 |
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"num_gt_atoms": 948,
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| 13 |
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"num_aligned_atoms": 948,
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| 14 |
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"alignment_coverage": {
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| 15 |
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"pred_coverage": 1.0,
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| 16 |
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"gt_coverage": 1.0,
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| 17 |
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"full_coverage": true
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| 18 |
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| 19 |
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"heavy_chain": {
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| 20 |
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"chain_id": "K",
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| 21 |
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"cdr": 3.1841087341308594,
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"cdr1": 0.36925941705703735,
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"cdr2": 0.3434063792228699,
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"cdr3": 3.4429590702056885,
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"cdr1_fw_aligned": 0.6103441119194031,
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"cdr2_fw_aligned": 0.6077873706817627,
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| 30 |
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| 31 |
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"num_residues": 129,
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"num_cdr_residues": 32
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| 33 |
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| 34 |
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"light_chain": {
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| 35 |
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| 48 |
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"heavy_chain_atom_counts": {
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"num_aligned_atoms": 432
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| 58 |
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}
|
| 59 |
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}
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8q7s_F__D_sample_2_rmsd_backbone.json
ADDED
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{
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"entry": "8q7s_F__D_sample_2",
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| 3 |
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"success": true,
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| 4 |
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"error": null,
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| 5 |
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"rmsd": {
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| 6 |
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"total": 1.2757576704025269,
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| 7 |
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| 8 |
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"framework": 0.5496018528938293,
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| 10 |
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| 11 |
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"num_pred_atoms": 524,
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| 12 |
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| 13 |
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"num_aligned_atoms": 512,
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| 14 |
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"alignment_coverage": {
|
| 15 |
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| 16 |
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| 17 |
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|
| 18 |
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| 19 |
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"heavy_chain": {
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| 20 |
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"chain_id": "F",
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| 21 |
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| 22 |
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"cdr": 2.076066017150879,
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| 23 |
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"framework": 0.5496018528938293,
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| 26 |
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"cdr2": 0.30281302332878113,
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| 27 |
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"cdr1_fw_aligned": 4.332986831665039,
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| 29 |
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"cdr2_fw_aligned": 1.180469036102295,
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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": {
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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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}
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8qq0_E_D_A_sample_1_rmsd_backbone.json
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{
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"entry": "8qq0_E_D_A_sample_1",
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| 3 |
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"success": true,
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| 4 |
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"error": null,
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| 5 |
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"rmsd": {
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| 6 |
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"total": 1.5599020719528198,
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| 7 |
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"cdr": 2.1910194158554077,
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| 8 |
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"framework": 1.0721228122711182,
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| 9 |
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"cdr_fw_aligned": 2.638222098350525
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| 10 |
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},
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| 11 |
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"num_pred_atoms": 1780,
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| 12 |
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"num_gt_atoms": 924,
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| 13 |
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"num_aligned_atoms": 924,
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| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.5191011235955056,
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| 16 |
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"gt_coverage": 1.0,
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| 17 |
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"full_coverage": false
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| 18 |
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},
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| 19 |
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"heavy_chain": {
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| 20 |
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"chain_id": "E",
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| 21 |
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"total": 1.280596137046814,
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| 22 |
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"cdr": 1.6829922199249268,
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| 23 |
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"framework": 0.9466352462768555,
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| 24 |
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"cdr_fw_aligned": 2.303192138671875,
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| 25 |
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"cdr1": 0.5116369128227234,
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| 26 |
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"cdr2": 0.306552529335022,
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| 27 |
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"cdr3": 1.5144927501678467,
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| 28 |
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"cdr1_fw_aligned": 1.260522723197937,
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| 29 |
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"cdr2_fw_aligned": 0.709566593170166,
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| 30 |
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"cdr3_fw_aligned": 3.085685968399048,
|
| 31 |
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"num_residues": 120,
|
| 32 |
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"num_cdr_residues": 26
|
| 33 |
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},
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| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "D",
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| 36 |
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"total": 1.8392080068588257,
|
| 37 |
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"cdr": 2.6990466117858887,
|
| 38 |
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"framework": 1.1976103782653809,
|
| 39 |
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"cdr_fw_aligned": 2.973252058029175,
|
| 40 |
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"cdr1": 3.6638553142547607,
|
| 41 |
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"cdr2": 0.5053848624229431,
|
| 42 |
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"cdr3": 0.4794270098209381,
|
| 43 |
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"cdr1_fw_aligned": 3.924011468887329,
|
| 44 |
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"cdr2_fw_aligned": 1.1787371635437012,
|
| 45 |
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"cdr3_fw_aligned": 2.207923650741577,
|
| 46 |
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"num_residues": 111,
|
| 47 |
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"num_cdr_residues": 31
|
| 48 |
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},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 916,
|
| 51 |
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"num_gt_atoms": 480,
|
| 52 |
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"num_aligned_atoms": 480
|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 444,
|
| 57 |
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"num_aligned_atoms": 444
|
| 58 |
+
}
|
| 59 |
+
}
|
8qz3_C__B_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
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|
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|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz3_C__B_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 0.6971503496170044,
|
| 7 |
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"cdr": 1.0075856447219849,
|
| 8 |
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"framework": 0.5503109693527222,
|
| 9 |
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"cdr_fw_aligned": 1.0336487293243408
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 548,
|
| 12 |
+
"num_gt_atoms": 508,
|
| 13 |
+
"num_aligned_atoms": 508,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.927007299270073,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
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"total": 0.6971503496170044,
|
| 22 |
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"cdr": 1.0075856447219849,
|
| 23 |
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"framework": 0.5503109693527222,
|
| 24 |
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"cdr_fw_aligned": 1.0336487293243408,
|
| 25 |
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"cdr1": 1.0299016237258911,
|
| 26 |
+
"cdr2": 0.1791291981935501,
|
| 27 |
+
"cdr3": 0.8228437304496765,
|
| 28 |
+
"cdr1_fw_aligned": 1.3838887214660645,
|
| 29 |
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"cdr2_fw_aligned": 0.46529096364974976,
|
| 30 |
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"cdr3_fw_aligned": 1.0114983320236206,
|
| 31 |
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|
| 32 |
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"num_cdr_residues": 31
|
| 33 |
+
},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 548,
|
| 36 |
+
"num_gt_atoms": 508,
|
| 37 |
+
"num_aligned_atoms": 508
|
| 38 |
+
}
|
| 39 |
+
}
|
8r4b_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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|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r4b_B__A_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.9864964485168457,
|
| 7 |
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"cdr": 4.24917459487915,
|
| 8 |
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"framework": 1.5445462465286255,
|
| 9 |
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"cdr_fw_aligned": 5.562376499176025
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 548,
|
| 12 |
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"num_gt_atoms": 428,
|
| 13 |
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"num_aligned_atoms": 428,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.781021897810219,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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"total": 2.9864964485168457,
|
| 22 |
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"cdr": 4.24917459487915,
|
| 23 |
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"framework": 1.5445462465286255,
|
| 24 |
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"cdr_fw_aligned": 5.562376499176025,
|
| 25 |
+
"cdr1": 0.9979919791221619,
|
| 26 |
+
"cdr2": 1.7535431385040283,
|
| 27 |
+
"cdr3": 2.230504274368286,
|
| 28 |
+
"cdr1_fw_aligned": 3.6713645458221436,
|
| 29 |
+
"cdr2_fw_aligned": 7.611330509185791,
|
| 30 |
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"cdr3_fw_aligned": 5.318965911865234,
|
| 31 |
+
"num_residues": 107,
|
| 32 |
+
"num_cdr_residues": 28
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 548,
|
| 36 |
+
"num_gt_atoms": 428,
|
| 37 |
+
"num_aligned_atoms": 428
|
| 38 |
+
}
|
| 39 |
+
}
|
8r4d_B__A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
|
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|
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|
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|
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|
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|
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|
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|
|
|
|
|
|
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|
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|
|
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|
|
|
|
|
|
|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r4d_B__A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.397059917449951,
|
| 7 |
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"cdr": 2.9969146251678467,
|
| 8 |
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"framework": 1.6020135879516602,
|
| 9 |
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|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 548,
|
| 12 |
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"num_gt_atoms": 428,
|
| 13 |
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"num_aligned_atoms": 428,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.781021897810219,
|
| 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": "B",
|
| 21 |
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"total": 2.397059917449951,
|
| 22 |
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"cdr": 2.9969146251678467,
|
| 23 |
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"framework": 1.6020135879516602,
|
| 24 |
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"cdr_fw_aligned": 4.091516971588135,
|
| 25 |
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"cdr1": 0.807137131690979,
|
| 26 |
+
"cdr2": 2.0242509841918945,
|
| 27 |
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"cdr3": 2.245251178741455,
|
| 28 |
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"cdr1_fw_aligned": 3.4099369049072266,
|
| 29 |
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"cdr2_fw_aligned": 3.1867473125457764,
|
| 30 |
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"cdr3_fw_aligned": 4.664822578430176,
|
| 31 |
+
"num_residues": 107,
|
| 32 |
+
"num_cdr_residues": 28
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 548,
|
| 36 |
+
"num_gt_atoms": 428,
|
| 37 |
+
"num_aligned_atoms": 428
|
| 38 |
+
}
|
| 39 |
+
}
|
8r8k_H_L_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8r8k_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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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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"cdr3": 1.756789207458496,
|
| 28 |
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|
| 29 |
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|
| 30 |
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"cdr3_fw_aligned": 2.9252190589904785,
|
| 31 |
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"num_residues": 128,
|
| 32 |
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"num_cdr_residues": 32
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
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"total": 0.6912002563476562,
|
| 37 |
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"cdr": 0.44570115208625793,
|
| 38 |
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"framework": 0.7388256192207336,
|
| 39 |
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"cdr_fw_aligned": 0.5595932602882385,
|
| 40 |
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"cdr1": 0.3110097646713257,
|
| 41 |
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"cdr2": 0.4000823497772217,
|
| 42 |
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"cdr3": 0.376881867647171,
|
| 43 |
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|
| 44 |
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"cdr2_fw_aligned": 0.5381420850753784,
|
| 45 |
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|
| 46 |
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|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
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},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 512
|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 428
|
| 58 |
+
}
|
| 59 |
+
}
|
8r9y_B_C_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": "8r9y_B_C_A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.356144368648529,
|
| 7 |
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"cdr": 2.01202529668808,
|
| 8 |
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"framework": 1.0916727781295776,
|
| 9 |
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"cdr_fw_aligned": 2.5708519220352173
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 1708,
|
| 12 |
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"num_gt_atoms": 1708,
|
| 13 |
+
"num_aligned_atoms": 1708,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 1.0,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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"total": 1.8415319919586182,
|
| 22 |
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"cdr": 3.3962440490722656,
|
| 23 |
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"framework": 1.3779150247573853,
|
| 24 |
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|
| 25 |
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|
| 26 |
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"cdr2": 0.23391124606132507,
|
| 27 |
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"cdr3": 2.7182931900024414,
|
| 28 |
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"cdr1_fw_aligned": 2.3556973934173584,
|
| 29 |
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"cdr2_fw_aligned": 0.9376731514930725,
|
| 30 |
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"cdr3_fw_aligned": 4.9786152839660645,
|
| 31 |
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"num_residues": 218,
|
| 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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"total": 0.8707567453384399,
|
| 37 |
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"cdr": 0.627806544303894,
|
| 38 |
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"framework": 0.80543053150177,
|
| 39 |
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"cdr_fw_aligned": 1.335601806640625,
|
| 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": 209,
|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 872,
|
| 51 |
+
"num_gt_atoms": 872,
|
| 52 |
+
"num_aligned_atoms": 872
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 836,
|
| 56 |
+
"num_gt_atoms": 836,
|
| 57 |
+
"num_aligned_atoms": 836
|
| 58 |
+
}
|
| 59 |
+
}
|
8r9y_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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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r9y_B_C_A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
+
"total": 3.3364248275756836,
|
| 7 |
+
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|
| 8 |
+
"framework": 3.0280542373657227,
|
| 9 |
+
"cdr_fw_aligned": 5.712852835655212
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 1708,
|
| 12 |
+
"num_gt_atoms": 1708,
|
| 13 |
+
"num_aligned_atoms": 1708,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 1.0,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
+
"total": 4.025297164916992,
|
| 22 |
+
"cdr": 3.083056926727295,
|
| 23 |
+
"framework": 3.5142178535461426,
|
| 24 |
+
"cdr_fw_aligned": 7.582386016845703,
|
| 25 |
+
"cdr1": 1.903410792350769,
|
| 26 |
+
"cdr2": 0.33322620391845703,
|
| 27 |
+
"cdr3": 2.6643900871276855,
|
| 28 |
+
"cdr1_fw_aligned": 8.004874229431152,
|
| 29 |
+
"cdr2_fw_aligned": 5.136745929718018,
|
| 30 |
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|
| 31 |
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"num_residues": 218,
|
| 32 |
+
"num_cdr_residues": 27
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "C",
|
| 36 |
+
"total": 2.647552490234375,
|
| 37 |
+
"cdr": 0.6368497610092163,
|
| 38 |
+
"framework": 2.5418906211853027,
|
| 39 |
+
"cdr_fw_aligned": 3.8433196544647217,
|
| 40 |
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"cdr1": 0.7676775455474854,
|
| 41 |
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"cdr2": 0.29103896021842957,
|
| 42 |
+
"cdr3": 0.34979793429374695,
|
| 43 |
+
"cdr1_fw_aligned": 4.315801620483398,
|
| 44 |
+
"cdr2_fw_aligned": 3.663628101348877,
|
| 45 |
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"cdr3_fw_aligned": 3.332944631576538,
|
| 46 |
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"num_residues": 209,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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"num_gt_atoms": 872,
|
| 52 |
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"num_aligned_atoms": 872
|
| 53 |
+
},
|
| 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 |
+
}
|
8r9y_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r9y_H_L_A_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.7991421222686768,
|
| 7 |
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|
| 8 |
+
"framework": 1.7046656608581543,
|
| 9 |
+
"cdr_fw_aligned": 2.728001594543457
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 1724,
|
| 12 |
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"num_gt_atoms": 1724,
|
| 13 |
+
"num_aligned_atoms": 1724,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 1.0,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 2.1437227725982666,
|
| 22 |
+
"cdr": 1.4580239057540894,
|
| 23 |
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"framework": 2.035123109817505,
|
| 24 |
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"cdr_fw_aligned": 3.1814184188842773,
|
| 25 |
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|
| 26 |
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"cdr2": 1.065555214881897,
|
| 27 |
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|
| 28 |
+
"cdr1_fw_aligned": 3.6906964778900146,
|
| 29 |
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"cdr2_fw_aligned": 2.7807207107543945,
|
| 30 |
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|
| 31 |
+
"num_residues": 219,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
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"total": 1.454561471939087,
|
| 37 |
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|
| 38 |
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"framework": 1.3742082118988037,
|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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"cdr3": 0.355191171169281,
|
| 43 |
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"cdr1_fw_aligned": 2.508882761001587,
|
| 44 |
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"cdr2_fw_aligned": 1.6852836608886719,
|
| 45 |
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|
| 46 |
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|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
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},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 848
|
| 58 |
+
}
|
| 59 |
+
}
|
8r9y_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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|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r9y_H_L_A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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"num_aligned_atoms": 1724,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"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 |
+
},
|
| 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 |
+
}
|
| 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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|
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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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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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"num_aligned_atoms": 1708,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 6.122766017913818,
|
| 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": "C",
|
| 36 |
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"total": 2.3467748165130615,
|
| 37 |
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|
| 38 |
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"framework": 2.267988681793213,
|
| 39 |
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"cdr_fw_aligned": 3.232089042663574,
|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 836
|
| 58 |
+
}
|
| 59 |
+
}
|
8r9z_H_L_A_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r9z_H_L_A_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.0539129972457886,
|
| 7 |
+
"cdr": 1.0292136669158936,
|
| 8 |
+
"framework": 0.9630388021469116,
|
| 9 |
+
"cdr_fw_aligned": 1.6260788440704346
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1724,
|
| 12 |
+
"num_gt_atoms": 1724,
|
| 13 |
+
"num_aligned_atoms": 1724,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 1.0,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.1880860328674316,
|
| 22 |
+
"cdr": 1.5403331518173218,
|
| 23 |
+
"framework": 1.0277179479599,
|
| 24 |
+
"cdr_fw_aligned": 2.1712327003479004,
|
| 25 |
+
"cdr1": 0.31103697419166565,
|
| 26 |
+
"cdr2": 0.933444082736969,
|
| 27 |
+
"cdr3": 1.729998230934143,
|
| 28 |
+
"cdr1_fw_aligned": 1.6125839948654175,
|
| 29 |
+
"cdr2_fw_aligned": 2.0518603324890137,
|
| 30 |
+
"cdr3_fw_aligned": 2.4898440837860107,
|
| 31 |
+
"num_residues": 219,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 0.9197399616241455,
|
| 37 |
+
"cdr": 0.5180941820144653,
|
| 38 |
+
"framework": 0.8983596563339233,
|
| 39 |
+
"cdr_fw_aligned": 1.0809249877929688,
|
| 40 |
+
"cdr1": 0.587444543838501,
|
| 41 |
+
"cdr2": 0.24690379202365875,
|
| 42 |
+
"cdr3": 0.3201407790184021,
|
| 43 |
+
"cdr1_fw_aligned": 1.1146254539489746,
|
| 44 |
+
"cdr2_fw_aligned": 1.2446621656417847,
|
| 45 |
+
"cdr3_fw_aligned": 0.8842053413391113,
|
| 46 |
+
"num_residues": 212,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 876,
|
| 51 |
+
"num_gt_atoms": 876,
|
| 52 |
+
"num_aligned_atoms": 876
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 848,
|
| 56 |
+
"num_gt_atoms": 848,
|
| 57 |
+
"num_aligned_atoms": 848
|
| 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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|
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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 |
+
"rmsd": {
|
| 6 |
+
"total": 1.3612999320030212,
|
| 7 |
+
"cdr": 1.0410236120224,
|
| 8 |
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"framework": 1.296004056930542,
|
| 9 |
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"cdr_fw_aligned": 1.8816619515419006
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 1724,
|
| 12 |
+
"num_gt_atoms": 1724,
|
| 13 |
+
"num_aligned_atoms": 1724,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 1.0,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.4565601348876953,
|
| 22 |
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"cdr": 1.514299988746643,
|
| 23 |
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"framework": 1.3673806190490723,
|
| 24 |
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"cdr_fw_aligned": 2.072258949279785,
|
| 25 |
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"cdr1": 0.3376663625240326,
|
| 26 |
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"cdr2": 1.1388449668884277,
|
| 27 |
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"cdr3": 1.3239938020706177,
|
| 28 |
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"cdr1_fw_aligned": 1.9249135255813599,
|
| 29 |
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"cdr2_fw_aligned": 2.087735652923584,
|
| 30 |
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"cdr3_fw_aligned": 2.1460671424865723,
|
| 31 |
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"num_residues": 219,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
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"total": 1.2660397291183472,
|
| 37 |
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"cdr": 0.5677472352981567,
|
| 38 |
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"framework": 1.2246274948120117,
|
| 39 |
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|
| 40 |
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|
| 41 |
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"cdr2": 0.27151229977607727,
|
| 42 |
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"cdr3": 0.3349822461605072,
|
| 43 |
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"cdr1_fw_aligned": 2.0093977451324463,
|
| 44 |
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"cdr2_fw_aligned": 1.8799368143081665,
|
| 45 |
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"cdr3_fw_aligned": 0.9462346434593201,
|
| 46 |
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"num_residues": 212,
|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
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},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 876
|
| 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": 848,
|
| 57 |
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"num_aligned_atoms": 848
|
| 58 |
+
}
|
| 59 |
+
}
|
8s61_B__A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8s61_B__A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 2.063685655593872,
|
| 7 |
+
"cdr": 3.5833985805511475,
|
| 8 |
+
"framework": 0.7135009765625,
|
| 9 |
+
"cdr_fw_aligned": 4.659389019012451
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 488,
|
| 12 |
+
"num_gt_atoms": 488,
|
| 13 |
+
"num_aligned_atoms": 488,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 1.0,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
+
"total": 2.063685655593872,
|
| 22 |
+
"cdr": 3.5833985805511475,
|
| 23 |
+
"framework": 0.7135009765625,
|
| 24 |
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"cdr_fw_aligned": 4.659389019012451,
|
| 25 |
+
"cdr1": 2.304316520690918,
|
| 26 |
+
"cdr2": 1.6078721284866333,
|
| 27 |
+
"cdr3": 2.95222544670105,
|
| 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 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 488,
|
| 36 |
+
"num_gt_atoms": 488,
|
| 37 |
+
"num_aligned_atoms": 488
|
| 38 |
+
}
|
| 39 |
+
}
|
8sdg_G_I_C_sample_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": "8sdg_G_I_C_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 2.1262125968933105,
|
| 7 |
+
"cdr": 2.985979676246643,
|
| 8 |
+
"framework": 1.6678340435028076,
|
| 9 |
+
"cdr_fw_aligned": 4.2726205587387085
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1764,
|
| 12 |
+
"num_gt_atoms": 1728,
|
| 13 |
+
"num_aligned_atoms": 1728,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9795918367346939,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "G",
|
| 21 |
+
"total": 2.2919869422912598,
|
| 22 |
+
"cdr": 4.332897186279297,
|
| 23 |
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"framework": 1.6823759078979492,
|
| 24 |
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"cdr_fw_aligned": 4.769654750823975,
|
| 25 |
+
"cdr1": 0.4178355634212494,
|
| 26 |
+
"cdr2": 0.5841794013977051,
|
| 27 |
+
"cdr3": 3.043715238571167,
|
| 28 |
+
"cdr1_fw_aligned": 1.9498580694198608,
|
| 29 |
+
"cdr2_fw_aligned": 1.8652231693267822,
|
| 30 |
+
"cdr3_fw_aligned": 6.694100856781006,
|
| 31 |
+
"num_residues": 219,
|
| 32 |
+
"num_cdr_residues": 28
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "I",
|
| 36 |
+
"total": 1.9604382514953613,
|
| 37 |
+
"cdr": 1.6390621662139893,
|
| 38 |
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"framework": 1.653292179107666,
|
| 39 |
+
"cdr_fw_aligned": 3.7755863666534424,
|
| 40 |
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"cdr1": 0.3649944067001343,
|
| 41 |
+
"cdr2": 0.332135409116745,
|
| 42 |
+
"cdr3": 2.2452714443206787,
|
| 43 |
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"cdr1_fw_aligned": 3.1684160232543945,
|
| 44 |
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"cdr2_fw_aligned": 2.47886323928833,
|
| 45 |
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"cdr3_fw_aligned": 4.861320495605469,
|
| 46 |
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"num_residues": 213,
|
| 47 |
+
"num_cdr_residues": 29
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 904,
|
| 51 |
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"num_gt_atoms": 876,
|
| 52 |
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"num_aligned_atoms": 876
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 860,
|
| 56 |
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"num_gt_atoms": 852,
|
| 57 |
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"num_aligned_atoms": 852
|
| 58 |
+
}
|
| 59 |
+
}
|
8sdg_G_I_C_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sdg_G_I_C_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 3.2350289821624756,
|
| 7 |
+
"cdr": 2.8428837060928345,
|
| 8 |
+
"framework": 2.7736613750457764,
|
| 9 |
+
"cdr_fw_aligned": 5.992863416671753
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1764,
|
| 12 |
+
"num_gt_atoms": 1728,
|
| 13 |
+
"num_aligned_atoms": 1728,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "I",
|
| 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 |
+
}
|
8sgi_H_L_A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
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|
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|
|
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|
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|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8sgi_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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|
| 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 |
+
}
|
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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"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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|
| 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 |
+
}
|
8sgj_H_L_A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
|
|
|
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|
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|
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|
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|
|
|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8sgj_H_L_A_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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|
| 5 |
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|
| 6 |
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|
| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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| 23 |
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|
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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 |
+
}
|
| 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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sgt_H_L_A_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 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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"cdr1": 0.4183187484741211,
|
| 26 |
+
"cdr2": 0.48785147070884705,
|
| 27 |
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"cdr3": 2.214850425720215,
|
| 28 |
+
"cdr1_fw_aligned": 0.9994173049926758,
|
| 29 |
+
"cdr2_fw_aligned": 0.7095817923545837,
|
| 30 |
+
"cdr3_fw_aligned": 4.19338321685791,
|
| 31 |
+
"num_residues": 121,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 0.7785699963569641,
|
| 37 |
+
"cdr": 0.8361428380012512,
|
| 38 |
+
"framework": 0.7384082078933716,
|
| 39 |
+
"cdr_fw_aligned": 0.8897863626480103,
|
| 40 |
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"cdr1": 0.452816367149353,
|
| 41 |
+
"cdr2": 0.40980255603790283,
|
| 42 |
+
"cdr3": 1.0561697483062744,
|
| 43 |
+
"cdr1_fw_aligned": 0.6645902395248413,
|
| 44 |
+
"cdr2_fw_aligned": 0.7920158505439758,
|
| 45 |
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"cdr3_fw_aligned": 1.2100096940994263,
|
| 46 |
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"num_residues": 110,
|
| 47 |
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|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 996,
|
| 51 |
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"num_gt_atoms": 484,
|
| 52 |
+
"num_aligned_atoms": 484
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
+
"num_gt_atoms": 440,
|
| 57 |
+
"num_aligned_atoms": 440
|
| 58 |
+
}
|
| 59 |
+
}
|
8sgt_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sgt_H_L_A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 0.9490487575531006,
|
| 7 |
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"cdr": 1.3343119621276855,
|
| 8 |
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"framework": 0.6449659466743469,
|
| 9 |
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"cdr_fw_aligned": 1.6340239942073822
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 1804,
|
| 12 |
+
"num_gt_atoms": 924,
|
| 13 |
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"num_aligned_atoms": 924,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.5121951219512195,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.178784728050232,
|
| 22 |
+
"cdr": 1.9738067388534546,
|
| 23 |
+
"framework": 0.6164913773536682,
|
| 24 |
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"cdr_fw_aligned": 2.3802084922790527,
|
| 25 |
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"cdr1": 0.36600643396377563,
|
| 26 |
+
"cdr2": 0.18464715778827667,
|
| 27 |
+
"cdr3": 2.4897570610046387,
|
| 28 |
+
"cdr1_fw_aligned": 0.7387403845787048,
|
| 29 |
+
"cdr2_fw_aligned": 0.46313682198524475,
|
| 30 |
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"cdr3_fw_aligned": 3.373035192489624,
|
| 31 |
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"num_residues": 121,
|
| 32 |
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"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 0.7193127870559692,
|
| 37 |
+
"cdr": 0.6948171854019165,
|
| 38 |
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"framework": 0.6734405159950256,
|
| 39 |
+
"cdr_fw_aligned": 0.8878394961357117,
|
| 40 |
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"cdr1": 0.35402897000312805,
|
| 41 |
+
"cdr2": 0.41443368792533875,
|
| 42 |
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"cdr3": 0.6574571132659912,
|
| 43 |
+
"cdr1_fw_aligned": 0.7226241230964661,
|
| 44 |
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"cdr2_fw_aligned": 0.6692830920219421,
|
| 45 |
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"cdr3_fw_aligned": 1.2111434936523438,
|
| 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 |
+
"num_gt_atoms": 484,
|
| 52 |
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"num_aligned_atoms": 484
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
+
"num_gt_atoms": 440,
|
| 57 |
+
"num_aligned_atoms": 440
|
| 58 |
+
}
|
| 59 |
+
}
|
8sit_H_L_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sit_H_L_A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 12.274446487426758,
|
| 7 |
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"cdr": 1.7086092829704285,
|
| 8 |
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"framework": 11.754096031188965,
|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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"num_gt_atoms": 1724,
|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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"total": 11.639341354370117,
|
| 22 |
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"cdr": 2.5337204933166504,
|
| 23 |
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"framework": 11.584001541137695,
|
| 24 |
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"cdr_fw_aligned": 14.827845573425293,
|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 18.776124954223633,
|
| 29 |
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"cdr2_fw_aligned": 16.288177490234375,
|
| 30 |
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"cdr3_fw_aligned": 12.515363693237305,
|
| 31 |
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"num_residues": 221,
|
| 32 |
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"num_cdr_residues": 32
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
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"total": 12.909551620483398,
|
| 37 |
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|
| 38 |
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"framework": 11.924190521240234,
|
| 39 |
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"cdr_fw_aligned": 21.086538314819336,
|
| 40 |
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|
| 41 |
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|
| 42 |
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"cdr3": 0.5358635783195496,
|
| 43 |
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"cdr1_fw_aligned": 23.299846649169922,
|
| 44 |
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|
| 45 |
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|
| 46 |
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"num_residues": 210,
|
| 47 |
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"num_cdr_residues": 29
|
| 48 |
+
},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 924,
|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 884
|
| 53 |
+
},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 840,
|
| 57 |
+
"num_aligned_atoms": 840
|
| 58 |
+
}
|
| 59 |
+
}
|
8so3_Y_Z_X_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8so3_Y_Z_X_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 9.027828216552734,
|
| 7 |
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"cdr": 1.0915780365467072,
|
| 8 |
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"framework": 8.610408306121826,
|
| 9 |
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|
| 10 |
+
},
|
| 11 |
+
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|
| 12 |
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|
| 13 |
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"num_aligned_atoms": 1715,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.875,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "Y",
|
| 21 |
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"total": 7.518744468688965,
|
| 22 |
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|
| 23 |
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"framework": 7.328990936279297,
|
| 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 |
+
"num_residues": 213,
|
| 32 |
+
"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "Z",
|
| 36 |
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"total": 10.536911964416504,
|
| 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": 15.903924942016602,
|
| 44 |
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"cdr2_fw_aligned": 9.528746604919434,
|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 852
|
| 53 |
+
},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 863
|
| 58 |
+
}
|
| 59 |
+
}
|
8t04_C_D_A_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
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|
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|
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|
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|
|
|
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|
|
|
|
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|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8t04_C_D_A_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 0.6772017478942871,
|
| 7 |
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"cdr": 0.675939291715622,
|
| 8 |
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"framework": 0.6531869471073151,
|
| 9 |
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"cdr_fw_aligned": 0.8002957105636597
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 908,
|
| 12 |
+
"num_gt_atoms": 908,
|
| 13 |
+
"num_aligned_atoms": 908,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 1.0,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
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"total": 0.7661197185516357,
|
| 22 |
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"cdr": 0.8381854295730591,
|
| 23 |
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"framework": 0.7042382955551147,
|
| 24 |
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"cdr_fw_aligned": 1.0318962335586548,
|
| 25 |
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|
| 26 |
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"cdr2": 0.1387569159269333,
|
| 27 |
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"cdr3": 0.9049532413482666,
|
| 28 |
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"cdr1_fw_aligned": 1.0408271551132202,
|
| 29 |
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"cdr2_fw_aligned": 0.6875981092453003,
|
| 30 |
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"cdr3_fw_aligned": 1.1593599319458008,
|
| 31 |
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"num_residues": 120,
|
| 32 |
+
"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "D",
|
| 36 |
+
"total": 0.5882837772369385,
|
| 37 |
+
"cdr": 0.5136931538581848,
|
| 38 |
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"framework": 0.6021355986595154,
|
| 39 |
+
"cdr_fw_aligned": 0.5686951875686646,
|
| 40 |
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"cdr1": 0.2931250035762787,
|
| 41 |
+
"cdr2": 0.7311609387397766,
|
| 42 |
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"cdr3": 0.3689124882221222,
|
| 43 |
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"cdr1_fw_aligned": 0.4011420011520386,
|
| 44 |
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"cdr2_fw_aligned": 0.822465717792511,
|
| 45 |
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|
| 46 |
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"num_residues": 107,
|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 480,
|
| 51 |
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"num_gt_atoms": 480,
|
| 52 |
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"num_aligned_atoms": 480
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
+
"num_gt_atoms": 428,
|
| 57 |
+
"num_aligned_atoms": 428
|
| 58 |
+
}
|
| 59 |
+
}
|
8t06_C_D_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": "8t06_C_D_A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 0.6780561804771423,
|
| 7 |
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|
| 8 |
+
"framework": 0.6620836853981018,
|
| 9 |
+
"cdr_fw_aligned": 0.7585051953792572
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 908,
|
| 12 |
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"num_gt_atoms": 908,
|
| 13 |
+
"num_aligned_atoms": 908,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 1.0,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
+
"total": 0.7143417000770569,
|
| 22 |
+
"cdr": 0.7461045980453491,
|
| 23 |
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"framework": 0.6728304028511047,
|
| 24 |
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"cdr_fw_aligned": 0.893915593624115,
|
| 25 |
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"cdr1": 0.35903701186180115,
|
| 26 |
+
"cdr2": 0.11415994167327881,
|
| 27 |
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"cdr3": 0.7541190385818481,
|
| 28 |
+
"cdr1_fw_aligned": 0.9760687947273254,
|
| 29 |
+
"cdr2_fw_aligned": 0.740236222743988,
|
| 30 |
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|
| 31 |
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"num_residues": 120,
|
| 32 |
+
"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "D",
|
| 36 |
+
"total": 0.6417706608772278,
|
| 37 |
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"cdr": 0.593197226524353,
|
| 38 |
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"framework": 0.6513369679450989,
|
| 39 |
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"cdr_fw_aligned": 0.6230947971343994,
|
| 40 |
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"cdr1": 0.2616725564002991,
|
| 41 |
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"cdr2": 0.7845708727836609,
|
| 42 |
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"cdr3": 0.44617760181427,
|
| 43 |
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"cdr1_fw_aligned": 0.45148417353630066,
|
| 44 |
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"cdr2_fw_aligned": 0.9287444949150085,
|
| 45 |
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"cdr3_fw_aligned": 0.4946879744529724,
|
| 46 |
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"num_residues": 107,
|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 480,
|
| 51 |
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"num_gt_atoms": 480,
|
| 52 |
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"num_aligned_atoms": 480
|
| 53 |
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},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
+
"num_gt_atoms": 428,
|
| 57 |
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"num_aligned_atoms": 428
|
| 58 |
+
}
|
| 59 |
+
}
|
8t07_C_D_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8t07_C_D_A_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
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"total": 0.7212982177734375,
|
| 7 |
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"cdr": 0.6368516087532043,
|
| 8 |
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"framework": 0.7261472344398499,
|
| 9 |
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"cdr_fw_aligned": 0.7435044944286346
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 908,
|
| 12 |
+
"num_gt_atoms": 908,
|
| 13 |
+
"num_aligned_atoms": 908,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 1.0,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
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"total": 0.7545614242553711,
|
| 22 |
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"cdr": 0.7656696438789368,
|
| 23 |
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"framework": 0.7175123691558838,
|
| 24 |
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|
| 25 |
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"cdr1": 0.4167254567146301,
|
| 26 |
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"cdr2": 0.22873184084892273,
|
| 27 |
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"cdr3": 0.837142288684845,
|
| 28 |
+
"cdr1_fw_aligned": 1.0271061658859253,
|
| 29 |
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"cdr2_fw_aligned": 0.8770760297775269,
|
| 30 |
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"cdr3_fw_aligned": 0.9281130433082581,
|
| 31 |
+
"num_residues": 120,
|
| 32 |
+
"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "D",
|
| 36 |
+
"total": 0.6880350112915039,
|
| 37 |
+
"cdr": 0.5080335736274719,
|
| 38 |
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"framework": 0.7347820997238159,
|
| 39 |
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"cdr_fw_aligned": 0.5305789709091187,
|
| 40 |
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|
| 41 |
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"cdr2": 0.23296934366226196,
|
| 42 |
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"cdr3": 0.6560982465744019,
|
| 43 |
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"cdr1_fw_aligned": 0.4067556858062744,
|
| 44 |
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"cdr2_fw_aligned": 0.4016560912132263,
|
| 45 |
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|
| 46 |
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"num_residues": 107,
|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 480,
|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 480
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 428,
|
| 57 |
+
"num_aligned_atoms": 428
|
| 58 |
+
}
|
| 59 |
+
}
|
8tbb_H_L_D_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tbb_H_L_D_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 0.8561282455921173,
|
| 7 |
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"cdr": 0.982682928442955,
|
| 8 |
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"framework": 0.7223282158374786,
|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9840909090909091,
|
| 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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"total": 1.0451011657714844,
|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 1.2156046628952026,
|
| 29 |
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|
| 30 |
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|
| 31 |
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"num_residues": 219,
|
| 32 |
+
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|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
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"total": 0.6671553254127502,
|
| 37 |
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|
| 38 |
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"framework": 0.6437577605247498,
|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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"cdr3": 0.23805321753025055,
|
| 43 |
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|
| 44 |
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"cdr2_fw_aligned": 0.8181142807006836,
|
| 45 |
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|
| 46 |
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"num_residues": 214,
|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 856
|
| 58 |
+
}
|
| 59 |
+
}
|
8tfh_H_L_B_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
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|
|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tfh_H_L_B_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.3249208331108093,
|
| 7 |
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"cdr": 1.4503107964992523,
|
| 8 |
+
"framework": 1.1777443289756775,
|
| 9 |
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"cdr_fw_aligned": 2.199957847595215
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 1732,
|
| 12 |
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"num_gt_atoms": 1732,
|
| 13 |
+
"num_aligned_atoms": 1732,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 1.0,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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"total": 1.3023796081542969,
|
| 22 |
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"cdr": 2.18143367767334,
|
| 23 |
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"framework": 1.0441255569458008,
|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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"cdr3": 2.588052749633789,
|
| 28 |
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"cdr1_fw_aligned": 1.2756731510162354,
|
| 29 |
+
"cdr2_fw_aligned": 1.153499960899353,
|
| 30 |
+
"cdr3_fw_aligned": 3.4725911617279053,
|
| 31 |
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"num_residues": 223,
|
| 32 |
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"num_cdr_residues": 26
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
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"total": 1.3474620580673218,
|
| 37 |
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"cdr": 0.7191879153251648,
|
| 38 |
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"framework": 1.3113631010055542,
|
| 39 |
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"cdr_fw_aligned": 1.7971127033233643,
|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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"cdr2_fw_aligned": 1.8491276502609253,
|
| 45 |
+
"cdr3_fw_aligned": 1.515293836593628,
|
| 46 |
+
"num_residues": 210,
|
| 47 |
+
"num_cdr_residues": 26
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 892,
|
| 51 |
+
"num_gt_atoms": 892,
|
| 52 |
+
"num_aligned_atoms": 892
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 840,
|
| 56 |
+
"num_gt_atoms": 840,
|
| 57 |
+
"num_aligned_atoms": 840
|
| 58 |
+
}
|
| 59 |
+
}
|
8tfh_H_L_B_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
|
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|
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|
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|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tfh_H_L_B_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.0932132601737976,
|
| 7 |
+
"cdr": 1.112195998430252,
|
| 8 |
+
"framework": 1.017646610736847,
|
| 9 |
+
"cdr_fw_aligned": 1.6154705286026
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1732,
|
| 12 |
+
"num_gt_atoms": 1732,
|
| 13 |
+
"num_aligned_atoms": 1732,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 1.0,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.0569504499435425,
|
| 22 |
+
"cdr": 1.5231012105941772,
|
| 23 |
+
"framework": 0.9104336500167847,
|
| 24 |
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"cdr_fw_aligned": 1.9415148496627808,
|
| 25 |
+
"cdr1": 0.4704064726829529,
|
| 26 |
+
"cdr2": 0.8131250739097595,
|
| 27 |
+
"cdr3": 1.9752715826034546,
|
| 28 |
+
"cdr1_fw_aligned": 1.3354909420013428,
|
| 29 |
+
"cdr2_fw_aligned": 1.15956711769104,
|
| 30 |
+
"cdr3_fw_aligned": 2.4409050941467285,
|
| 31 |
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"num_residues": 223,
|
| 32 |
+
"num_cdr_residues": 26
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 1.1294760704040527,
|
| 37 |
+
"cdr": 0.7012907862663269,
|
| 38 |
+
"framework": 1.1248595714569092,
|
| 39 |
+
"cdr_fw_aligned": 1.2894262075424194,
|
| 40 |
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"cdr1": 0.3324214220046997,
|
| 41 |
+
"cdr2": 0.7567552328109741,
|
| 42 |
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"cdr3": 0.7884009480476379,
|
| 43 |
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"cdr1_fw_aligned": 1.2919708490371704,
|
| 44 |
+
"cdr2_fw_aligned": 1.1784589290618896,
|
| 45 |
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"cdr3_fw_aligned": 1.3759516477584839,
|
| 46 |
+
"num_residues": 210,
|
| 47 |
+
"num_cdr_residues": 26
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 892,
|
| 51 |
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"num_gt_atoms": 892,
|
| 52 |
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"num_aligned_atoms": 892
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 840,
|
| 56 |
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"num_gt_atoms": 840,
|
| 57 |
+
"num_aligned_atoms": 840
|
| 58 |
+
}
|
| 59 |
+
}
|
8tfn_H_L_B_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
|
|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tfn_H_L_B_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.246072232723236,
|
| 7 |
+
"cdr": 1.2124891430139542,
|
| 8 |
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"framework": 1.146555244922638,
|
| 9 |
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"cdr_fw_aligned": 1.8813249468803406
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1756,
|
| 12 |
+
"num_gt_atoms": 1584,
|
| 13 |
+
"num_aligned_atoms": 1584,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9020501138952164,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.2654849290847778,
|
| 22 |
+
"cdr": 2.061892509460449,
|
| 23 |
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"framework": 1.0651659965515137,
|
| 24 |
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"cdr_fw_aligned": 2.3281800746917725,
|
| 25 |
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"cdr1": 0.7286685705184937,
|
| 26 |
+
"cdr2": 0.3918638229370117,
|
| 27 |
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"cdr3": 2.5177745819091797,
|
| 28 |
+
"cdr1_fw_aligned": 1.1039812564849854,
|
| 29 |
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"cdr2_fw_aligned": 0.810775101184845,
|
| 30 |
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"cdr3_fw_aligned": 3.3495404720306396,
|
| 31 |
+
"num_residues": 197,
|
| 32 |
+
"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 1.2266595363616943,
|
| 37 |
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"cdr": 0.3630857765674591,
|
| 38 |
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"framework": 1.2279444932937622,
|
| 39 |
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"cdr_fw_aligned": 1.4344698190689087,
|
| 40 |
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|
| 41 |
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"cdr2": 0.22337022423744202,
|
| 42 |
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"cdr3": 0.2715262770652771,
|
| 43 |
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"cdr1_fw_aligned": 1.569840908050537,
|
| 44 |
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"cdr2_fw_aligned": 1.4479260444641113,
|
| 45 |
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"cdr3_fw_aligned": 1.2371174097061157,
|
| 46 |
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"num_residues": 199,
|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 788
|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
+
"num_gt_atoms": 796,
|
| 57 |
+
"num_aligned_atoms": 796
|
| 58 |
+
}
|
| 59 |
+
}
|
8tkc_G_H_AB_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tkc_G_H_AB_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.7718685567378998,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
+
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|
| 13 |
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|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.5198237885462555,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "G",
|
| 21 |
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"total": 2.9806625843048096,
|
| 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 |
+
"num_residues": 129,
|
| 32 |
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"num_cdr_residues": 33
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "H",
|
| 36 |
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"total": 0.56307452917099,
|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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"cdr2_fw_aligned": 0.6205515265464783,
|
| 45 |
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|
| 46 |
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"num_residues": 107,
|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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"num_gt_atoms": 516,
|
| 52 |
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"num_aligned_atoms": 516
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 428,
|
| 57 |
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"num_aligned_atoms": 428
|
| 58 |
+
}
|
| 59 |
+
}
|
8tkc_G_H_AB_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tkc_G_H_AB_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
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"total": 1.8989875316619873,
|
| 7 |
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"cdr": 2.343935042619705,
|
| 8 |
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"framework": 0.5195934325456619,
|
| 9 |
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"cdr_fw_aligned": 4.088271647691727
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 1816,
|
| 12 |
+
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|
| 13 |
+
"num_aligned_atoms": 944,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.5198237885462555,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "G",
|
| 21 |
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"total": 3.219238519668579,
|
| 22 |
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"cdr": 3.986494541168213,
|
| 23 |
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"framework": 0.5512612462043762,
|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 0.6295679211616516,
|
| 29 |
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"cdr2_fw_aligned": 0.6470906138420105,
|
| 30 |
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"cdr3_fw_aligned": 9.676798820495605,
|
| 31 |
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"num_residues": 129,
|
| 32 |
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"num_cdr_residues": 33
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "H",
|
| 36 |
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"total": 0.5787365436553955,
|
| 37 |
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"cdr": 0.7013755440711975,
|
| 38 |
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"framework": 0.48792561888694763,
|
| 39 |
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"cdr_fw_aligned": 0.8221951127052307,
|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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"cdr1_fw_aligned": 0.7465580701828003,
|
| 44 |
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"cdr2_fw_aligned": 0.7032838463783264,
|
| 45 |
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"cdr3_fw_aligned": 0.9809014797210693,
|
| 46 |
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"num_residues": 107,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 960,
|
| 51 |
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"num_gt_atoms": 516,
|
| 52 |
+
"num_aligned_atoms": 516
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 856,
|
| 56 |
+
"num_gt_atoms": 428,
|
| 57 |
+
"num_aligned_atoms": 428
|
| 58 |
+
}
|
| 59 |
+
}
|
8tng_H__E_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tng_H__E_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.6953935623168945,
|
| 7 |
+
"cdr": 2.8534820079803467,
|
| 8 |
+
"framework": 1.1464239358901978,
|
| 9 |
+
"cdr_fw_aligned": 2.955824851989746
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 484,
|
| 12 |
+
"num_gt_atoms": 484,
|
| 13 |
+
"num_aligned_atoms": 484,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 1.0,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.6953935623168945,
|
| 22 |
+
"cdr": 2.8534820079803467,
|
| 23 |
+
"framework": 1.1464239358901978,
|
| 24 |
+
"cdr_fw_aligned": 2.955824851989746,
|
| 25 |
+
"cdr1": 1.5249292850494385,
|
| 26 |
+
"cdr2": 0.9448451995849609,
|
| 27 |
+
"cdr3": 2.8957507610321045,
|
| 28 |
+
"cdr1_fw_aligned": 2.547203540802002,
|
| 29 |
+
"cdr2_fw_aligned": 3.1089277267456055,
|
| 30 |
+
"cdr3_fw_aligned": 3.0884735584259033,
|
| 31 |
+
"num_residues": 121,
|
| 32 |
+
"num_cdr_residues": 26
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 484,
|
| 36 |
+
"num_gt_atoms": 484,
|
| 37 |
+
"num_aligned_atoms": 484
|
| 38 |
+
}
|
| 39 |
+
}
|
8too_B_A_I_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": "8too_B_A_I_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.0396336913108826,
|
| 7 |
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"cdr": 0.608555018901825,
|
| 8 |
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"framework": 0.9770525991916656,
|
| 9 |
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"cdr_fw_aligned": 1.5897913575172424
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 1792,
|
| 12 |
+
"num_gt_atoms": 1724,
|
| 13 |
+
"num_aligned_atoms": 1724,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9620535714285714,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
+
"total": 1.217940330505371,
|
| 22 |
+
"cdr": 0.7908668518066406,
|
| 23 |
+
"framework": 1.1409778594970703,
|
| 24 |
+
"cdr_fw_aligned": 1.8715126514434814,
|
| 25 |
+
"cdr1": 0.5231018662452698,
|
| 26 |
+
"cdr2": 0.2798236906528473,
|
| 27 |
+
"cdr3": 0.8535817861557007,
|
| 28 |
+
"cdr1_fw_aligned": 2.453829050064087,
|
| 29 |
+
"cdr2_fw_aligned": 1.129900574684143,
|
| 30 |
+
"cdr3_fw_aligned": 1.7646045684814453,
|
| 31 |
+
"num_residues": 220,
|
| 32 |
+
"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "A",
|
| 36 |
+
"total": 0.861327052116394,
|
| 37 |
+
"cdr": 0.4262431859970093,
|
| 38 |
+
"framework": 0.813127338886261,
|
| 39 |
+
"cdr_fw_aligned": 1.3080700635910034,
|
| 40 |
+
"cdr1": 0.21863460540771484,
|
| 41 |
+
"cdr2": 0.167434424161911,
|
| 42 |
+
"cdr3": 0.4145749509334564,
|
| 43 |
+
"cdr1_fw_aligned": 1.2949490547180176,
|
| 44 |
+
"cdr2_fw_aligned": 1.5082321166992188,
|
| 45 |
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"cdr3_fw_aligned": 1.1464437246322632,
|
| 46 |
+
"num_residues": 211,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 936,
|
| 51 |
+
"num_gt_atoms": 880,
|
| 52 |
+
"num_aligned_atoms": 880
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 856,
|
| 56 |
+
"num_gt_atoms": 844,
|
| 57 |
+
"num_aligned_atoms": 844
|
| 58 |
+
}
|
| 59 |
+
}
|
8tp4_H_L_C_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
|
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|
|
|
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|
|
|
|
|
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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": "8tp4_H_L_C_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
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"total": 1.7669579982757568,
|
| 7 |
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"cdr": 2.7424145936965942,
|
| 8 |
+
"framework": 0.7486827075481415,
|
| 9 |
+
"cdr_fw_aligned": 3.339549243450165
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1020,
|
| 12 |
+
"num_gt_atoms": 968,
|
| 13 |
+
"num_aligned_atoms": 968,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9490196078431372,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 2.615701675415039,
|
| 22 |
+
"cdr": 4.40108585357666,
|
| 23 |
+
"framework": 0.7266729474067688,
|
| 24 |
+
"cdr_fw_aligned": 5.419288158416748,
|
| 25 |
+
"cdr1": 2.7828164100646973,
|
| 26 |
+
"cdr2": 0.17604845762252808,
|
| 27 |
+
"cdr3": 3.1850035190582275,
|
| 28 |
+
"cdr1_fw_aligned": 3.809415340423584,
|
| 29 |
+
"cdr2_fw_aligned": 0.8938894271850586,
|
| 30 |
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"cdr3_fw_aligned": 6.51793098449707,
|
| 31 |
+
"num_residues": 130,
|
| 32 |
+
"num_cdr_residues": 34
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 0.9182143211364746,
|
| 37 |
+
"cdr": 1.0837433338165283,
|
| 38 |
+
"framework": 0.7706924676895142,
|
| 39 |
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"cdr_fw_aligned": 1.2598103284835815,
|
| 40 |
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"cdr1": 1.0441874265670776,
|
| 41 |
+
"cdr2": 0.29595282673835754,
|
| 42 |
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"cdr3": 1.222168207168579,
|
| 43 |
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"cdr1_fw_aligned": 1.2010246515274048,
|
| 44 |
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"cdr2_fw_aligned": 0.4881685972213745,
|
| 45 |
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"cdr3_fw_aligned": 1.5946375131607056,
|
| 46 |
+
"num_residues": 112,
|
| 47 |
+
"num_cdr_residues": 33
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 520,
|
| 51 |
+
"num_gt_atoms": 520,
|
| 52 |
+
"num_aligned_atoms": 520
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 500,
|
| 56 |
+
"num_gt_atoms": 448,
|
| 57 |
+
"num_aligned_atoms": 448
|
| 58 |
+
}
|
| 59 |
+
}
|
8tp4_H_L_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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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tp4_H_L_C_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.2108298540115356,
|
| 7 |
+
"cdr": 1.8249919414520264,
|
| 8 |
+
"framework": 0.6932874619960785,
|
| 9 |
+
"cdr_fw_aligned": 2.121506631374359
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1020,
|
| 12 |
+
"num_gt_atoms": 968,
|
| 13 |
+
"num_aligned_atoms": 968,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9490196078431372,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.3800721168518066,
|
| 22 |
+
"cdr": 2.2478532791137695,
|
| 23 |
+
"framework": 0.709918200969696,
|
| 24 |
+
"cdr_fw_aligned": 2.4872989654541016,
|
| 25 |
+
"cdr1": 2.988515615463257,
|
| 26 |
+
"cdr2": 0.32545003294944763,
|
| 27 |
+
"cdr3": 1.8103467226028442,
|
| 28 |
+
"cdr1_fw_aligned": 3.9558990001678467,
|
| 29 |
+
"cdr2_fw_aligned": 1.556172490119934,
|
| 30 |
+
"cdr3_fw_aligned": 2.02687406539917,
|
| 31 |
+
"num_residues": 130,
|
| 32 |
+
"num_cdr_residues": 34
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 1.0415875911712646,
|
| 37 |
+
"cdr": 1.4021306037902832,
|
| 38 |
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"framework": 0.6766567230224609,
|
| 39 |
+
"cdr_fw_aligned": 1.7557142972946167,
|
| 40 |
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"cdr1": 1.196906328201294,
|
| 41 |
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"cdr2": 0.3279132843017578,
|
| 42 |
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"cdr3": 1.3351061344146729,
|
| 43 |
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"cdr1_fw_aligned": 1.7031244039535522,
|
| 44 |
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"cdr2_fw_aligned": 0.5250620245933533,
|
| 45 |
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"cdr3_fw_aligned": 2.2208786010742188,
|
| 46 |
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"num_residues": 112,
|
| 47 |
+
"num_cdr_residues": 33
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 520,
|
| 51 |
+
"num_gt_atoms": 520,
|
| 52 |
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"num_aligned_atoms": 520
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 448,
|
| 57 |
+
"num_aligned_atoms": 448
|
| 58 |
+
}
|
| 59 |
+
}
|
8tp5_E_F_C_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tp5_E_F_C_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 2.1276792883872986,
|
| 7 |
+
"cdr": 3.318660080432892,
|
| 8 |
+
"framework": 0.5711655616760254,
|
| 9 |
+
"cdr_fw_aligned": 4.533209681510925
|
| 10 |
+
},
|
| 11 |
+
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|
| 12 |
+
"num_gt_atoms": 968,
|
| 13 |
+
"num_aligned_atoms": 968,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 1.0,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "E",
|
| 21 |
+
"total": 3.1294310092926025,
|
| 22 |
+
"cdr": 4.94598388671875,
|
| 23 |
+
"framework": 0.5672967433929443,
|
| 24 |
+
"cdr_fw_aligned": 6.970703125,
|
| 25 |
+
"cdr1": 1.7033586502075195,
|
| 26 |
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"cdr2": 0.2596820592880249,
|
| 27 |
+
"cdr3": 4.092126846313477,
|
| 28 |
+
"cdr1_fw_aligned": 2.420603036880493,
|
| 29 |
+
"cdr2_fw_aligned": 0.5372878909111023,
|
| 30 |
+
"cdr3_fw_aligned": 8.754140853881836,
|
| 31 |
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"num_residues": 130,
|
| 32 |
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"num_cdr_residues": 34
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "F",
|
| 36 |
+
"total": 1.1259275674819946,
|
| 37 |
+
"cdr": 1.6913362741470337,
|
| 38 |
+
"framework": 0.5750343799591064,
|
| 39 |
+
"cdr_fw_aligned": 2.0957162380218506,
|
| 40 |
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"cdr1": 1.531589150428772,
|
| 41 |
+
"cdr2": 0.26977527141571045,
|
| 42 |
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"cdr3": 1.4238337278366089,
|
| 43 |
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"cdr1_fw_aligned": 1.6560163497924805,
|
| 44 |
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"cdr2_fw_aligned": 0.32061854004859924,
|
| 45 |
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"cdr3_fw_aligned": 2.9696240425109863,
|
| 46 |
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"num_residues": 112,
|
| 47 |
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"num_cdr_residues": 33
|
| 48 |
+
},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 520,
|
| 51 |
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"num_gt_atoms": 520,
|
| 52 |
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"num_aligned_atoms": 520
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 448,
|
| 56 |
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"num_gt_atoms": 448,
|
| 57 |
+
"num_aligned_atoms": 448
|
| 58 |
+
}
|
| 59 |
+
}
|
8tp7_D_F_A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
|
|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tp7_D_F_A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.1436466872692108,
|
| 7 |
+
"cdr": 1.6299880146980286,
|
| 8 |
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"framework": 0.46980559825897217,
|
| 9 |
+
"cdr_fw_aligned": 2.3419203758239746
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 936,
|
| 12 |
+
"num_gt_atoms": 936,
|
| 13 |
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"num_aligned_atoms": 936,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 1.0,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "D",
|
| 21 |
+
"total": 1.7371422052383423,
|
| 22 |
+
"cdr": 2.4886701107025146,
|
| 23 |
+
"framework": 0.5475631952285767,
|
| 24 |
+
"cdr_fw_aligned": 3.8382086753845215,
|
| 25 |
+
"cdr1": 1.2709249258041382,
|
| 26 |
+
"cdr2": 0.959328830242157,
|
| 27 |
+
"cdr3": 2.4344608783721924,
|
| 28 |
+
"cdr1_fw_aligned": 1.5776853561401367,
|
| 29 |
+
"cdr2_fw_aligned": 3.1026360988616943,
|
| 30 |
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"cdr3_fw_aligned": 4.818075180053711,
|
| 31 |
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"num_residues": 126,
|
| 32 |
+
"num_cdr_residues": 30
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "F",
|
| 36 |
+
"total": 0.5501511693000793,
|
| 37 |
+
"cdr": 0.7713059186935425,
|
| 38 |
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"framework": 0.3920480012893677,
|
| 39 |
+
"cdr_fw_aligned": 0.8456320762634277,
|
| 40 |
+
"cdr1": 0.3145849406719208,
|
| 41 |
+
"cdr2": 0.25372469425201416,
|
| 42 |
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"cdr3": 1.0712532997131348,
|
| 43 |
+
"cdr1_fw_aligned": 0.3702939450740814,
|
| 44 |
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"cdr2_fw_aligned": 0.43014025688171387,
|
| 45 |
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"cdr3_fw_aligned": 1.3767036199569702,
|
| 46 |
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"num_residues": 108,
|
| 47 |
+
"num_cdr_residues": 31
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 504,
|
| 51 |
+
"num_gt_atoms": 504,
|
| 52 |
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"num_aligned_atoms": 504
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 432,
|
| 56 |
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"num_gt_atoms": 432,
|
| 57 |
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"num_aligned_atoms": 432
|
| 58 |
+
}
|
| 59 |
+
}
|
8tp7_D_F_A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tp7_D_F_A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
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"total": 0.826534777879715,
|
| 7 |
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"cdr": 1.2259607911109924,
|
| 8 |
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"framework": 0.5012609958648682,
|
| 9 |
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"cdr_fw_aligned": 1.4963078200817108
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 936,
|
| 12 |
+
"num_gt_atoms": 936,
|
| 13 |
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"num_aligned_atoms": 936,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 1.0,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "D",
|
| 21 |
+
"total": 1.0807605981826782,
|
| 22 |
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"cdr": 1.6425632238388062,
|
| 23 |
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"framework": 0.5861538052558899,
|
| 24 |
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"cdr_fw_aligned": 2.118274211883545,
|
| 25 |
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"cdr1": 1.218440055847168,
|
| 26 |
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"cdr2": 0.8930724859237671,
|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 1.519063115119934,
|
| 29 |
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"cdr2_fw_aligned": 2.6322832107543945,
|
| 30 |
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"cdr3_fw_aligned": 2.22485613822937,
|
| 31 |
+
"num_residues": 126,
|
| 32 |
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"num_cdr_residues": 30
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "F",
|
| 36 |
+
"total": 0.5723089575767517,
|
| 37 |
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|
| 38 |
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|
| 39 |
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"cdr_fw_aligned": 0.8743414282798767,
|
| 40 |
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|
| 41 |
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|
| 42 |
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"cdr3": 1.0547839403152466,
|
| 43 |
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"cdr1_fw_aligned": 0.6215340495109558,
|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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"num_cdr_residues": 31
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 504,
|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 504
|
| 53 |
+
},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
+
"num_gt_atoms": 432,
|
| 57 |
+
"num_aligned_atoms": 432
|
| 58 |
+
}
|
| 59 |
+
}
|
8tq9_H_L_AB_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tq9_H_L_AB_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 0.9324510097503662,
|
| 7 |
+
"cdr": 0.7324472665786743,
|
| 8 |
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"framework": 0.8853311836719513,
|
| 9 |
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"cdr_fw_aligned": 1.3192418813705444
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1728,
|
| 12 |
+
"num_gt_atoms": 1720,
|
| 13 |
+
"num_aligned_atoms": 1720,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9953703703703703,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.0431792736053467,
|
| 22 |
+
"cdr": 0.9053100347518921,
|
| 23 |
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"framework": 0.9930289387702942,
|
| 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 |
+
"cdr2_fw_aligned": 1.3020237684249878,
|
| 30 |
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|
| 31 |
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"num_residues": 218,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 0.8217227458953857,
|
| 37 |
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"cdr": 0.5595844984054565,
|
| 38 |
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"framework": 0.7776334285736084,
|
| 39 |
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"cdr_fw_aligned": 1.2397956848144531,
|
| 40 |
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|
| 41 |
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|
| 42 |
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"cdr3": 0.3828827142715454,
|
| 43 |
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"cdr1_fw_aligned": 1.1779083013534546,
|
| 44 |
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"cdr2_fw_aligned": 1.0184223651885986,
|
| 45 |
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"cdr3_fw_aligned": 1.452172875404358,
|
| 46 |
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"num_residues": 212,
|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 872,
|
| 51 |
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"num_gt_atoms": 872,
|
| 52 |
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"num_aligned_atoms": 872
|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 848,
|
| 57 |
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"num_aligned_atoms": 848
|
| 58 |
+
}
|
| 59 |
+
}
|
8tqi_H_L_B_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
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|
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|
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|
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|
|
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|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tqi_H_L_B_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 0.930685967206955,
|
| 7 |
+
"cdr": 1.381873369216919,
|
| 8 |
+
"framework": 0.638866513967514,
|
| 9 |
+
"cdr_fw_aligned": 1.5943868160247803
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1748,
|
| 12 |
+
"num_gt_atoms": 924,
|
| 13 |
+
"num_aligned_atoms": 924,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.528604118993135,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.205607295036316,
|
| 22 |
+
"cdr": 2.265054702758789,
|
| 23 |
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"framework": 0.6395285129547119,
|
| 24 |
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|
| 25 |
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"cdr1": 0.4620305299758911,
|
| 26 |
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"cdr2": 0.29517656564712524,
|
| 27 |
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"cdr3": 2.5730690956115723,
|
| 28 |
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"cdr1_fw_aligned": 1.1118528842926025,
|
| 29 |
+
"cdr2_fw_aligned": 0.6316022276878357,
|
| 30 |
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"cdr3_fw_aligned": 3.425750255584717,
|
| 31 |
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"num_residues": 120,
|
| 32 |
+
"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 0.655764639377594,
|
| 37 |
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"cdr": 0.49869203567504883,
|
| 38 |
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"framework": 0.6382045149803162,
|
| 39 |
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"cdr_fw_aligned": 0.7723333835601807,
|
| 40 |
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"cdr1": 0.30997976660728455,
|
| 41 |
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"cdr2": 0.3740837275981903,
|
| 42 |
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"cdr3": 0.3451216220855713,
|
| 43 |
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"cdr1_fw_aligned": 0.6871635317802429,
|
| 44 |
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"cdr2_fw_aligned": 0.6736513376235962,
|
| 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": 480,
|
| 52 |
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"num_aligned_atoms": 480
|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 444,
|
| 57 |
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"num_aligned_atoms": 444
|
| 58 |
+
}
|
| 59 |
+
}
|
8tvj_H_L_E_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tvj_H_L_E_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 5.004266738891602,
|
| 7 |
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"cdr": 1.2596962451934814,
|
| 8 |
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"framework": 4.753288984298706,
|
| 9 |
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"cdr_fw_aligned": 7.280878067016602
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 1760,
|
| 12 |
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"num_gt_atoms": 1744,
|
| 13 |
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|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.990909090909091,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
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"total": 5.4416303634643555,
|
| 22 |
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"cdr": 1.825104832649231,
|
| 23 |
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|
| 24 |
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"cdr_fw_aligned": 6.62066650390625,
|
| 25 |
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|
| 26 |
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|
| 27 |
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"cdr3": 1.919946312904358,
|
| 28 |
+
"cdr1_fw_aligned": 9.582911491394043,
|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
+
"num_cdr_residues": 30
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 4.566903114318848,
|
| 37 |
+
"cdr": 0.6942876577377319,
|
| 38 |
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"framework": 4.170323848724365,
|
| 39 |
+
"cdr_fw_aligned": 7.941089630126953,
|
| 40 |
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"cdr1": 0.5161947011947632,
|
| 41 |
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"cdr2": 0.3456784784793854,
|
| 42 |
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"cdr3": 0.5266045331954956,
|
| 43 |
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"cdr1_fw_aligned": 8.945178985595703,
|
| 44 |
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"cdr2_fw_aligned": 6.418140888214111,
|
| 45 |
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"cdr3_fw_aligned": 7.70366907119751,
|
| 46 |
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"num_residues": 213,
|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 908,
|
| 51 |
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"num_gt_atoms": 892,
|
| 52 |
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"num_aligned_atoms": 892
|
| 53 |
+
},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 852,
|
| 57 |
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"num_aligned_atoms": 852
|
| 58 |
+
}
|
| 59 |
+
}
|
8tzu_C__B_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
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|
|
|
|
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|
|
|
|
|
|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tzu_C__B_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
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"total": 0.9891065359115601,
|
| 7 |
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"cdr": 1.3320906162261963,
|
| 8 |
+
"framework": 0.6328832507133484,
|
| 9 |
+
"cdr_fw_aligned": 1.941832184791565
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 484,
|
| 12 |
+
"num_gt_atoms": 480,
|
| 13 |
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"num_aligned_atoms": 480,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9917355371900827,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
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"total": 0.9891065359115601,
|
| 22 |
+
"cdr": 1.3320906162261963,
|
| 23 |
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"framework": 0.6328832507133484,
|
| 24 |
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"cdr_fw_aligned": 1.941832184791565,
|
| 25 |
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"cdr1": 0.3679135739803314,
|
| 26 |
+
"cdr2": 0.6885990500450134,
|
| 27 |
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"cdr3": 1.1615617275238037,
|
| 28 |
+
"cdr1_fw_aligned": 0.9385339617729187,
|
| 29 |
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"cdr2_fw_aligned": 2.7796406745910645,
|
| 30 |
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"cdr3_fw_aligned": 1.8579727411270142,
|
| 31 |
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"num_residues": 120,
|
| 32 |
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"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 484,
|
| 36 |
+
"num_gt_atoms": 480,
|
| 37 |
+
"num_aligned_atoms": 480
|
| 38 |
+
}
|
| 39 |
+
}
|
8tzu_C__B_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tzu_C__B_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
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"total": 1.418398380279541,
|
| 7 |
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"cdr": 2.1123955249786377,
|
| 8 |
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|
| 9 |
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"cdr_fw_aligned": 2.8982396125793457
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 484,
|
| 12 |
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"num_gt_atoms": 480,
|
| 13 |
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"num_aligned_atoms": 480,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9917355371900827,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
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"total": 1.418398380279541,
|
| 22 |
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"cdr": 2.1123955249786377,
|
| 23 |
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"framework": 0.7762568593025208,
|
| 24 |
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"cdr_fw_aligned": 2.8982396125793457,
|
| 25 |
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"cdr1": 0.3205702006816864,
|
| 26 |
+
"cdr2": 0.7564089894294739,
|
| 27 |
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"cdr3": 2.2749531269073486,
|
| 28 |
+
"cdr1_fw_aligned": 1.0771844387054443,
|
| 29 |
+
"cdr2_fw_aligned": 2.910433292388916,
|
| 30 |
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"cdr3_fw_aligned": 3.601128101348877,
|
| 31 |
+
"num_residues": 120,
|
| 32 |
+
"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
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|
| 36 |
+
"num_gt_atoms": 480,
|
| 37 |
+
"num_aligned_atoms": 480
|
| 38 |
+
}
|
| 39 |
+
}
|
8tzu_D__B_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tzu_D__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": 1.4481812715530396,
|
| 7 |
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"cdr": 2.532188892364502,
|
| 8 |
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|
| 9 |
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"cdr_fw_aligned": 2.8714797496795654
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 512,
|
| 12 |
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"num_gt_atoms": 508,
|
| 13 |
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"num_aligned_atoms": 508,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9921875,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "D",
|
| 21 |
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"total": 1.4481812715530396,
|
| 22 |
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"cdr": 2.532188892364502,
|
| 23 |
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"framework": 0.6402387619018555,
|
| 24 |
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"cdr_fw_aligned": 2.8714797496795654,
|
| 25 |
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"cdr1": 1.2565640211105347,
|
| 26 |
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"cdr2": 0.17810657620429993,
|
| 27 |
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"cdr3": 2.790924549102783,
|
| 28 |
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"cdr1_fw_aligned": 1.7499878406524658,
|
| 29 |
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"cdr2_fw_aligned": 0.41273602843284607,
|
| 30 |
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|
| 31 |
+
"num_residues": 127,
|
| 32 |
+
"num_cdr_residues": 30
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 512,
|
| 36 |
+
"num_gt_atoms": 508,
|
| 37 |
+
"num_aligned_atoms": 508
|
| 38 |
+
}
|
| 39 |
+
}
|
8u1c_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8u1c_H_L_A_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
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"total": 1.0406228303909302,
|
| 7 |
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"cdr": 1.6265613436698914,
|
| 8 |
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"framework": 0.6314136683940887,
|
| 9 |
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"cdr_fw_aligned": 1.8393068313598633
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 944,
|
| 12 |
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"num_gt_atoms": 932,
|
| 13 |
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"num_aligned_atoms": 932,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9872881355932204,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
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"total": 1.1065269708633423,
|
| 22 |
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"cdr": 1.6948214769363403,
|
| 23 |
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"framework": 0.645950198173523,
|
| 24 |
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"cdr_fw_aligned": 2.0607571601867676,
|
| 25 |
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"cdr1": 0.24283860623836517,
|
| 26 |
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"cdr2": 0.5635853409767151,
|
| 27 |
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"cdr3": 1.6601500511169434,
|
| 28 |
+
"cdr1_fw_aligned": 0.450457900762558,
|
| 29 |
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"cdr2_fw_aligned": 0.5680066347122192,
|
| 30 |
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"cdr3_fw_aligned": 2.641158103942871,
|
| 31 |
+
"num_residues": 126,
|
| 32 |
+
"num_cdr_residues": 32
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 0.9747186899185181,
|
| 37 |
+
"cdr": 1.5583012104034424,
|
| 38 |
+
"framework": 0.6168771386146545,
|
| 39 |
+
"cdr_fw_aligned": 1.617856502532959,
|
| 40 |
+
"cdr1": 1.4392602443695068,
|
| 41 |
+
"cdr2": 0.7044208645820618,
|
| 42 |
+
"cdr3": 1.4009461402893066,
|
| 43 |
+
"cdr1_fw_aligned": 1.6714106798171997,
|
| 44 |
+
"cdr2_fw_aligned": 0.832981526851654,
|
| 45 |
+
"cdr3_fw_aligned": 1.969457745552063,
|
| 46 |
+
"num_residues": 107,
|
| 47 |
+
"num_cdr_residues": 28
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 512,
|
| 51 |
+
"num_gt_atoms": 504,
|
| 52 |
+
"num_aligned_atoms": 504
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 432,
|
| 56 |
+
"num_gt_atoms": 428,
|
| 57 |
+
"num_aligned_atoms": 428
|
| 58 |
+
}
|
| 59 |
+
}
|
8u1c_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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|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8u1c_H_L_A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.119404673576355,
|
| 7 |
+
"cdr": 1.7500490546226501,
|
| 8 |
+
"framework": 0.6231825351715088,
|
| 9 |
+
"cdr_fw_aligned": 2.082511067390442
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 944,
|
| 12 |
+
"num_gt_atoms": 932,
|
| 13 |
+
"num_aligned_atoms": 932,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9872881355932204,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.2105282545089722,
|
| 22 |
+
"cdr": 1.8146178722381592,
|
| 23 |
+
"framework": 0.6408873796463013,
|
| 24 |
+
"cdr_fw_aligned": 2.4032092094421387,
|
| 25 |
+
"cdr1": 0.20642612874507904,
|
| 26 |
+
"cdr2": 0.7283372282981873,
|
| 27 |
+
"cdr3": 1.5830050706863403,
|
| 28 |
+
"cdr1_fw_aligned": 0.5203519463539124,
|
| 29 |
+
"cdr2_fw_aligned": 0.808260440826416,
|
| 30 |
+
"cdr3_fw_aligned": 3.0693578720092773,
|
| 31 |
+
"num_residues": 126,
|
| 32 |
+
"num_cdr_residues": 32
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 1.0282810926437378,
|
| 37 |
+
"cdr": 1.6854802370071411,
|
| 38 |
+
"framework": 0.6054776906967163,
|
| 39 |
+
"cdr_fw_aligned": 1.7618129253387451,
|
| 40 |
+
"cdr1": 1.5327199697494507,
|
| 41 |
+
"cdr2": 0.7425597906112671,
|
| 42 |
+
"cdr3": 1.4237991571426392,
|
| 43 |
+
"cdr1_fw_aligned": 1.7409080266952515,
|
| 44 |
+
"cdr2_fw_aligned": 0.9491397738456726,
|
| 45 |
+
"cdr3_fw_aligned": 2.2170262336730957,
|
| 46 |
+
"num_residues": 107,
|
| 47 |
+
"num_cdr_residues": 28
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 512,
|
| 51 |
+
"num_gt_atoms": 504,
|
| 52 |
+
"num_aligned_atoms": 504
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 432,
|
| 56 |
+
"num_gt_atoms": 428,
|
| 57 |
+
"num_aligned_atoms": 428
|
| 58 |
+
}
|
| 59 |
+
}
|
8u1q_H_L_A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8u1q_H_L_A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 0.9760964512825012,
|
| 7 |
+
"cdr": 1.3625644445419312,
|
| 8 |
+
"framework": 0.8061775267124176,
|
| 9 |
+
"cdr_fw_aligned": 1.4522543549537659
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 908,
|
| 12 |
+
"num_gt_atoms": 900,
|
| 13 |
+
"num_aligned_atoms": 900,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9911894273127754,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.1128767728805542,
|
| 22 |
+
"cdr": 1.6096359491348267,
|
| 23 |
+
"framework": 0.9093486666679382,
|
| 24 |
+
"cdr_fw_aligned": 1.7283313274383545,
|
| 25 |
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"cdr1": 1.7204995155334473,
|
| 26 |
+
"cdr2": 0.9228348731994629,
|
| 27 |
+
"cdr3": 1.195489525794983,
|
| 28 |
+
"cdr1_fw_aligned": 2.2673490047454834,
|
| 29 |
+
"cdr2_fw_aligned": 1.172808289527893,
|
| 30 |
+
"cdr3_fw_aligned": 1.3618226051330566,
|
| 31 |
+
"num_residues": 118,
|
| 32 |
+
"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 0.8393161296844482,
|
| 37 |
+
"cdr": 1.1154929399490356,
|
| 38 |
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"framework": 0.703006386756897,
|
| 39 |
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"cdr_fw_aligned": 1.1761773824691772,
|
| 40 |
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"cdr1": 1.132684588432312,
|
| 41 |
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"cdr2": 0.4520436227321625,
|
| 42 |
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"cdr3": 1.215360403060913,
|
| 43 |
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"cdr1_fw_aligned": 1.3489627838134766,
|
| 44 |
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"cdr2_fw_aligned": 0.6202465295791626,
|
| 45 |
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"cdr3_fw_aligned": 1.275512933731079,
|
| 46 |
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"num_residues": 107,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 480,
|
| 51 |
+
"num_gt_atoms": 472,
|
| 52 |
+
"num_aligned_atoms": 472
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 428,
|
| 56 |
+
"num_gt_atoms": 428,
|
| 57 |
+
"num_aligned_atoms": 428
|
| 58 |
+
}
|
| 59 |
+
}
|