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- 7vgs_D_C_A_sample_1_rmsd_backbone.json +59 -0
- 7vgs_D_C_A_sample_4_rmsd_backbone.json +59 -0
- 7xic_K_L_B_sample_0_rmsd.json +59 -0
- 7xic_K_L_B_sample_1_rmsd.json +59 -0
- 7xic_K_L_B_sample_2_rmsd.json +59 -0
- 8euq_C_D_AB_sample_1_rmsd.json +59 -0
- 8euq_C_D_AB_sample_2_rmsd.json +59 -0
- 8euq_C_D_AB_sample_3_rmsd.json +59 -0
- 8q94_C__A_sample_2_rmsd.json +39 -0
- 8qf5_G__H_sample_2_rmsd_backbone.json +39 -0
- 8qot_B__A_sample_3_rmsd_backbone.json +39 -0
- 8qq0_E_D_A_sample_1_rmsd.json +59 -0
- 8qq0_E_D_A_sample_2_rmsd.json +59 -0
- 8qq0_E_D_A_sample_3_rmsd_backbone.json +59 -0
- 8qz1_C__B_sample_3_rmsd_backbone.json +39 -0
- 8qz3_C__B_sample_0_rmsd_backbone.json +39 -0
- 8qz7_B__A_sample_0_rmsd.json +39 -0
- 8r1c_H_L_A_sample_4_rmsd.json +59 -0
- 8r1c_H_L_A_sample_4_rmsd_backbone.json +59 -0
- 8r4d_B__A_sample_0_rmsd.json +39 -0
- 8r4d_B__A_sample_1_rmsd.json +39 -0
- 8r4d_B__A_sample_3_rmsd_backbone.json +39 -0
- 8r80_H_L_R_sample_0_rmsd_backbone.json +59 -0
- 8r8k_H_L_A_sample_0_rmsd_backbone.json +59 -0
- 8r8k_H_L_A_sample_4_rmsd.json +59 -0
- 8r9y_B_C_A_sample_1_rmsd_backbone.json +59 -0
- 8r9y_B_C_A_sample_4_rmsd_backbone.json +59 -0
- 8r9y_H_L_A_sample_0_rmsd.json +59 -0
- 8r9y_H_L_A_sample_2_rmsd.json +59 -0
- 8r9y_H_L_A_sample_3_rmsd.json +59 -0
- 8r9z_B_C_A_sample_1_rmsd_backbone.json +59 -0
- 8r9z_B_C_A_sample_4_rmsd_backbone.json +59 -0
- 8r9z_H_L_A_sample_1_rmsd.json +59 -0
- 8r9z_H_L_A_sample_2_rmsd.json +59 -0
- 8rek_H_L_A_sample_0_rmsd_backbone.json +59 -0
- 8rek_H_L_A_sample_3_rmsd.json +59 -0
- 8rh0_H_L_A_sample_4_rmsd.json +59 -0
- 8rh2_H_L_B_sample_3_rmsd_backbone.json +59 -0
- 8rrn_H_L_A_sample_1_rmsd_backbone.json +59 -0
- 8rrn_H_L_A_sample_4_rmsd_backbone.json +59 -0
- 8rvn_H_L_F_sample_0_rmsd_backbone.json +59 -0
- 8rvn_H_L_F_sample_4_rmsd.json +59 -0
- 8rz2_B_C_A_sample_0_rmsd.json +59 -0
- 8rz2_B_C_A_sample_1_rmsd.json +59 -0
- 8rz2_B_C_A_sample_2_rmsd_backbone.json +59 -0
- 8s0n_B__A_sample_4_rmsd.json +39 -0
- 8s5w_B__A_sample_1_rmsd_backbone.json +39 -0
- 8s5w_B__A_sample_4_rmsd_backbone.json +39 -0
- 8s61_B__A_sample_0_rmsd_backbone.json +39 -0
- 8sdg_G_I_C_sample_1_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": 1.4316136837005615,
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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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"cdr": 1.0683859586715698,
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"framework": 1.105769395828247,
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"cdr2": 0.7709110975265503,
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"cdr1_fw_aligned": 1.2443290948867798,
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"cdr2_fw_aligned": 2.1297786235809326,
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"cdr3_fw_aligned": 1.207268476486206,
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"num_residues": 213,
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"num_cdr_residues": 17
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"light_chain": {
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"chain_id": "C",
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"total": 1.716017723083496,
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"cdr": 1.317832589149475,
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"framework": 1.5422260761260986,
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"cdr_fw_aligned": 2.825615882873535,
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"cdr1": 1.3791176080703735,
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"cdr2": 0.9177725911140442,
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"cdr3": 1.0160799026489258,
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"cdr1_fw_aligned": 3.5835132598876953,
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"cdr2_fw_aligned": 2.165653705596924,
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"cdr3_fw_aligned": 1.565332055091858,
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"num_residues": 218,
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"num_cdr_residues": 31
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"heavy_chain_atom_counts": {
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"num_pred_atoms": 916,
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"num_gt_atoms": 852,
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"light_chain_atom_counts": {
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}
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}
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7vgs_D_C_A_sample_4_rmsd_backbone.json
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{
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"entry": "7vgs_D_C_A_sample_4",
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"success": true,
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"error": null,
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"rmsd": {
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"num_pred_atoms": 1788,
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| 12 |
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"num_gt_atoms": 1724,
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| 13 |
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"num_aligned_atoms": 1724,
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| 14 |
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"alignment_coverage": {
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| 15 |
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"pred_coverage": 0.9642058165548099,
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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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| 19 |
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"heavy_chain": {
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| 20 |
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"chain_id": "D",
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| 21 |
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"total": 0.8186813592910767,
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| 22 |
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"cdr_fw_aligned": 1.0644415616989136,
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"cdr1": 0.9486506581306458,
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"cdr2": 0.7572360038757324,
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"cdr3": 0.38853949308395386,
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"cdr1_fw_aligned": 1.239848017692566,
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"cdr2_fw_aligned": 1.1189168691635132,
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"cdr3_fw_aligned": 0.4972851276397705,
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"num_residues": 213,
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| 32 |
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"num_cdr_residues": 17
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| 33 |
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},
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| 34 |
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"light_chain": {
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| 35 |
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"chain_id": "C",
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"heavy_chain_atom_counts": {
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"num_aligned_atoms": 872
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| 58 |
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}
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| 59 |
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}
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7xic_K_L_B_sample_0_rmsd.json
ADDED
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{
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"entry": "7xic_K_L_B_sample_0",
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"success": true,
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| 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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| 7 |
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| 8 |
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| 10 |
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|
| 12 |
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|
| 13 |
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| 14 |
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| 15 |
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| 16 |
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| 17 |
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"full_coverage": false
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| 18 |
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},
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| 19 |
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"heavy_chain": {
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| 20 |
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"chain_id": "K",
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| 21 |
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| 22 |
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| 31 |
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| 32 |
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| 33 |
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| 34 |
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| 35 |
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| 36 |
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| 46 |
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"num_residues": 108,
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| 47 |
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|
| 48 |
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},
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| 49 |
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"heavy_chain_atom_counts": {
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| 50 |
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| 51 |
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| 52 |
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| 53 |
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| 54 |
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| 55 |
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| 57 |
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| 58 |
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}
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| 59 |
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}
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7xic_K_L_B_sample_1_rmsd.json
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{
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"entry": "7xic_K_L_B_sample_1",
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"success": true,
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| 4 |
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"error": null,
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| 5 |
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"rmsd": {
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| 6 |
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"total": 1.2919021844863892,
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| 7 |
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"cdr": 1.9516305029392242,
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| 8 |
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"framework": 0.8596701920032501,
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| 9 |
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"cdr_fw_aligned": 2.1270784437656403
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| 10 |
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| 11 |
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| 12 |
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| 13 |
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| 14 |
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|
| 15 |
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| 16 |
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| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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| 38 |
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| 39 |
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|
| 40 |
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| 41 |
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| 42 |
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|
| 43 |
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|
| 44 |
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| 45 |
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| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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}
|
| 59 |
+
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|
7xic_K_L_B_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "7xic_K_L_B_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 764
|
| 58 |
+
}
|
| 59 |
+
}
|
8euq_C_D_AB_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
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|
|
|
|
|
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|
|
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|
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|
|
|
|
|
|
|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8euq_C_D_AB_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 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 |
+
"num_aligned_atoms": 1568
|
| 58 |
+
}
|
| 59 |
+
}
|
8euq_C_D_AB_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
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|
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|
|
|
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|
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|
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|
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|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8euq_C_D_AB_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
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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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| 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 |
+
}
|
8euq_C_D_AB_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
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|
|
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|
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|
|
|
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|
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|
|
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|
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|
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|
|
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|
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|
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|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8euq_C_D_AB_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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|
| 20 |
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| 21 |
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| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 4.8213887214660645,
|
| 30 |
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"cdr3_fw_aligned": 4.392525672912598,
|
| 31 |
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|
| 32 |
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|
| 33 |
+
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|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "D",
|
| 36 |
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"total": 3.3054418563842773,
|
| 37 |
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|
| 38 |
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| 39 |
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| 40 |
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| 41 |
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| 42 |
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"cdr3": 0.4645116925239563,
|
| 43 |
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"cdr1_fw_aligned": 6.029507160186768,
|
| 44 |
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"cdr2_fw_aligned": 4.191199779510498,
|
| 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": 1655,
|
| 52 |
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"num_aligned_atoms": 1601
|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 1568
|
| 58 |
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}
|
| 59 |
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|
8q94_C__A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
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|
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|
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|
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|
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|
|
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|
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|
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|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
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|
|
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|
|
|
|
|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8q94_C__A_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.283261299133301,
|
| 7 |
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"cdr": 3.6518006324768066,
|
| 8 |
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"framework": 1.6436339616775513,
|
| 9 |
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"cdr_fw_aligned": 3.9764981269836426
|
| 10 |
+
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|
| 11 |
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"num_pred_atoms": 985,
|
| 12 |
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"num_gt_atoms": 958,
|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.8964467005076142,
|
| 16 |
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"gt_coverage": 0.9217118997912317,
|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "C",
|
| 21 |
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|
| 22 |
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|
| 23 |
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"framework": 1.6436339616775513,
|
| 24 |
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"cdr_fw_aligned": 3.9764981269836426,
|
| 25 |
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"cdr1": 1.818064570426941,
|
| 26 |
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"cdr2": 1.2420923709869385,
|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 3.2266392707824707,
|
| 29 |
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"cdr2_fw_aligned": 1.950608730316162,
|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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"num_gt_atoms": 958,
|
| 37 |
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"num_aligned_atoms": 883
|
| 38 |
+
}
|
| 39 |
+
}
|
8qf5_G__H_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
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|
|
|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
+
"entry": "8qf5_G__H_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.6140928268432617,
|
| 7 |
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"cdr": 3.4179866313934326,
|
| 8 |
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"framework": 1.4640496969223022,
|
| 9 |
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|
| 10 |
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|
| 11 |
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"num_pred_atoms": 480,
|
| 12 |
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"num_gt_atoms": 480,
|
| 13 |
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"num_aligned_atoms": 480,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 1.0,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": true
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "G",
|
| 21 |
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|
| 22 |
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"cdr": 3.4179866313934326,
|
| 23 |
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"framework": 1.4640496969223022,
|
| 24 |
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|
| 25 |
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"cdr1": 2.4011285305023193,
|
| 26 |
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"cdr2": 0.20873631536960602,
|
| 27 |
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|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 0.45471057295799255,
|
| 30 |
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"cdr3_fw_aligned": 8.172303199768066,
|
| 31 |
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"num_residues": 120,
|
| 32 |
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"num_cdr_residues": 22
|
| 33 |
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},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
+
"num_gt_atoms": 480,
|
| 37 |
+
"num_aligned_atoms": 480
|
| 38 |
+
}
|
| 39 |
+
}
|
8qot_B__A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qot_B__A_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.3223482370376587,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 684,
|
| 12 |
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|
| 13 |
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"num_aligned_atoms": 500,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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|
| 22 |
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"cdr": 1.8444689512252808,
|
| 23 |
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"framework": 0.8091517686843872,
|
| 24 |
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"cdr_fw_aligned": 2.745464563369751,
|
| 25 |
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"cdr1": 2.0126795768737793,
|
| 26 |
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|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 2.4098870754241943,
|
| 29 |
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"cdr2_fw_aligned": 0.8688125014305115,
|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
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"num_gt_atoms": 500,
|
| 37 |
+
"num_aligned_atoms": 500
|
| 38 |
+
}
|
| 39 |
+
}
|
8qq0_E_D_A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
|
|
|
|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
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|
| 1 |
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{
|
| 2 |
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"entry": "8qq0_E_D_A_sample_1",
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| 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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"cdr3_fw_aligned": 1.3589210510253906,
|
| 31 |
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"num_residues": 120,
|
| 32 |
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"num_cdr_residues": 26
|
| 33 |
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},
|
| 34 |
+
"light_chain": {
|
| 35 |
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"chain_id": "D",
|
| 36 |
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"total": 2.160534143447876,
|
| 37 |
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"cdr": 3.4160683155059814,
|
| 38 |
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"framework": 1.361121416091919,
|
| 39 |
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"cdr_fw_aligned": 3.908097982406616,
|
| 40 |
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"cdr1": 4.571081638336182,
|
| 41 |
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"cdr2": 0.5592650771141052,
|
| 42 |
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"cdr3": 0.9545584321022034,
|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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}
|
| 59 |
+
}
|
8qq0_E_D_A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
|
|
|
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|
|
|
|
|
|
|
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|
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|
|
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|
|
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|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
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|
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|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8qq0_E_D_A_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.7611786723136902,
|
| 7 |
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"cdr": 2.358641028404236,
|
| 8 |
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"framework": 1.4346065521240234,
|
| 9 |
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"cdr_fw_aligned": 2.69272643327713
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 3386,
|
| 12 |
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"num_gt_atoms": 1742,
|
| 13 |
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"num_aligned_atoms": 1611,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.4757826343768458,
|
| 16 |
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"gt_coverage": 0.9247990815154994,
|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "E",
|
| 21 |
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"total": 1.234963297843933,
|
| 22 |
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"cdr": 1.4002764225006104,
|
| 23 |
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"framework": 1.1478787660598755,
|
| 24 |
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|
| 25 |
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"cdr1": 0.8777636885643005,
|
| 26 |
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|
| 27 |
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"cdr3": 1.490218997001648,
|
| 28 |
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"cdr1_fw_aligned": 1.3604097366333008,
|
| 29 |
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"cdr2_fw_aligned": 0.839718222618103,
|
| 30 |
+
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|
| 31 |
+
"num_residues": 120,
|
| 32 |
+
"num_cdr_residues": 26
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "D",
|
| 36 |
+
"total": 2.2873940467834473,
|
| 37 |
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"cdr": 3.3170056343078613,
|
| 38 |
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"framework": 1.7213343381881714,
|
| 39 |
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"cdr_fw_aligned": 3.7283966541290283,
|
| 40 |
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"cdr1": 4.4929351806640625,
|
| 41 |
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"cdr2": 0.644496738910675,
|
| 42 |
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"cdr3": 0.9178110957145691,
|
| 43 |
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"cdr1_fw_aligned": 4.946035385131836,
|
| 44 |
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"cdr2_fw_aligned": 1.4800117015838623,
|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 814,
|
| 57 |
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"num_aligned_atoms": 733
|
| 58 |
+
}
|
| 59 |
+
}
|
8qq0_E_D_A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
|
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|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qq0_E_D_A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.5273959636688232,
|
| 7 |
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"cdr": 1.8766925632953644,
|
| 8 |
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"framework": 1.2313886284828186,
|
| 9 |
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|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 1780,
|
| 12 |
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"num_gt_atoms": 924,
|
| 13 |
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"num_aligned_atoms": 924,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "E",
|
| 21 |
+
"total": 0.9715471267700195,
|
| 22 |
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"cdr": 0.9039812684059143,
|
| 23 |
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"framework": 0.9292482137680054,
|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
+
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|
| 29 |
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|
| 30 |
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|
| 31 |
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"num_residues": 120,
|
| 32 |
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"num_cdr_residues": 26
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "D",
|
| 36 |
+
"total": 2.083244800567627,
|
| 37 |
+
"cdr": 2.8494038581848145,
|
| 38 |
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"framework": 1.5335290431976318,
|
| 39 |
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"cdr_fw_aligned": 3.133336305618286,
|
| 40 |
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"cdr1": 3.906949758529663,
|
| 41 |
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"cdr2": 0.605612576007843,
|
| 42 |
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"cdr3": 0.7358239889144897,
|
| 43 |
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"cdr1_fw_aligned": 4.329624176025391,
|
| 44 |
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"cdr2_fw_aligned": 1.1627107858657837,
|
| 45 |
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"cdr3_fw_aligned": 1.8013471364974976,
|
| 46 |
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"num_residues": 111,
|
| 47 |
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"num_cdr_residues": 31
|
| 48 |
+
},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 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 |
+
}
|
8qz1_C__B_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
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|
|
|
|
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|
|
|
|
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|
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|
|
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|
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|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz1_C__B_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.4237980842590332,
|
| 7 |
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"cdr": 2.143221616744995,
|
| 8 |
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"framework": 0.8737421631813049,
|
| 9 |
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"cdr_fw_aligned": 2.686506748199463
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 544,
|
| 12 |
+
"num_gt_atoms": 516,
|
| 13 |
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"num_aligned_atoms": 516,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9485294117647058,
|
| 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": "C",
|
| 21 |
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"total": 1.4237980842590332,
|
| 22 |
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"cdr": 2.143221616744995,
|
| 23 |
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"framework": 0.8737421631813049,
|
| 24 |
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"cdr_fw_aligned": 2.686506748199463,
|
| 25 |
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"cdr1": 2.742856502532959,
|
| 26 |
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"cdr2": 0.28794604539871216,
|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 4.5677266120910645,
|
| 29 |
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"cdr2_fw_aligned": 1.832757592201233,
|
| 30 |
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|
| 31 |
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"num_residues": 129,
|
| 32 |
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"num_cdr_residues": 30
|
| 33 |
+
},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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"num_pred_atoms": 544,
|
| 36 |
+
"num_gt_atoms": 516,
|
| 37 |
+
"num_aligned_atoms": 516
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz3_C__B_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
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|
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|
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|
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|
|
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|
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|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz3_C__B_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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"cdr_fw_aligned": 1.3138808012008667
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 548,
|
| 12 |
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"num_gt_atoms": 508,
|
| 13 |
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"num_aligned_atoms": 508,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.927007299270073,
|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "C",
|
| 21 |
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|
| 22 |
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"cdr": 1.3047425746917725,
|
| 23 |
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"framework": 0.5140457153320312,
|
| 24 |
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|
| 25 |
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"cdr1": 1.2925117015838623,
|
| 26 |
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"cdr2": 0.29988113045692444,
|
| 27 |
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|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 0.8922502994537354,
|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 31
|
| 33 |
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},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
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"num_gt_atoms": 508,
|
| 37 |
+
"num_aligned_atoms": 508
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz7_B__A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz7_B__A_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.4157073497772217,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 1064,
|
| 12 |
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"num_gt_atoms": 911,
|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.7847744360902256,
|
| 16 |
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"gt_coverage": 0.9165751920965971,
|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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|
| 22 |
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"cdr": 2.1367247104644775,
|
| 23 |
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"framework": 1.0798618793487549,
|
| 24 |
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|
| 25 |
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"cdr1": 0.640516459941864,
|
| 26 |
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"cdr2": 0.3533920645713806,
|
| 27 |
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"cdr3": 2.4743382930755615,
|
| 28 |
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"cdr1_fw_aligned": 1.2498780488967896,
|
| 29 |
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"cdr2_fw_aligned": 0.5930393934249878,
|
| 30 |
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"cdr3_fw_aligned": 3.1836800575256348,
|
| 31 |
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|
| 32 |
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"num_cdr_residues": 30
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
+
"num_gt_atoms": 911,
|
| 37 |
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"num_aligned_atoms": 835
|
| 38 |
+
}
|
| 39 |
+
}
|
8r1c_H_L_A_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r1c_H_L_A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.415450781583786,
|
| 7 |
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"cdr": 2.233739346265793,
|
| 8 |
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"framework": 1.014626681804657,
|
| 9 |
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"cdr_fw_aligned": 2.4251921474933624
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 1818,
|
| 12 |
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"num_gt_atoms": 1726,
|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.8921892189218922,
|
| 16 |
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"gt_coverage": 0.9397450753186558,
|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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"total": 1.8787729740142822,
|
| 22 |
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"cdr": 3.7167904376983643,
|
| 23 |
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"framework": 1.030171275138855,
|
| 24 |
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|
| 25 |
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"cdr1": 1.117934226989746,
|
| 26 |
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"cdr2": 0.26770442724227905,
|
| 27 |
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"cdr3": 4.600017547607422,
|
| 28 |
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"cdr1_fw_aligned": 1.2111339569091797,
|
| 29 |
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"cdr2_fw_aligned": 0.29594704508781433,
|
| 30 |
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"cdr3_fw_aligned": 5.5768723487854,
|
| 31 |
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"num_residues": 124,
|
| 32 |
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"num_cdr_residues": 28
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
+
"total": 0.9521285891532898,
|
| 37 |
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"cdr": 0.7506882548332214,
|
| 38 |
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"framework": 0.999082088470459,
|
| 39 |
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"cdr_fw_aligned": 0.7810779213905334,
|
| 40 |
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"cdr1": 0.6824670433998108,
|
| 41 |
+
"cdr2": 0.3768317401409149,
|
| 42 |
+
"cdr3": 0.8099675178527832,
|
| 43 |
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"cdr1_fw_aligned": 0.7723317742347717,
|
| 44 |
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"cdr2_fw_aligned": 0.5806398391723633,
|
| 45 |
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"cdr3_fw_aligned": 0.8996908664703369,
|
| 46 |
+
"num_residues": 109,
|
| 47 |
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"num_cdr_residues": 31
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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"num_gt_atoms": 931,
|
| 52 |
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"num_aligned_atoms": 882
|
| 53 |
+
},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 795,
|
| 57 |
+
"num_aligned_atoms": 740
|
| 58 |
+
}
|
| 59 |
+
}
|
8r1c_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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|
|
|
|
|
|
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|
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|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r1c_H_L_A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.2070978581905365,
|
| 7 |
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"cdr": 2.0121430158615112,
|
| 8 |
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"framework": 0.5580723285675049,
|
| 9 |
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"cdr_fw_aligned": 2.2956007719039917
|
| 10 |
+
},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9957264957264957,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
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},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
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"total": 1.8610342741012573,
|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 0.32668736577033997,
|
| 30 |
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"cdr3_fw_aligned": 5.532304763793945,
|
| 31 |
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|
| 32 |
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|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
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"total": 0.5531614422798157,
|
| 37 |
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"cdr": 0.6009790897369385,
|
| 38 |
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"framework": 0.5247731804847717,
|
| 39 |
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"cdr_fw_aligned": 0.628542423248291,
|
| 40 |
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"cdr1": 0.6268768310546875,
|
| 41 |
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"cdr2": 0.3599325120449066,
|
| 42 |
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"cdr3": 0.4191434383392334,
|
| 43 |
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"cdr1_fw_aligned": 0.6961885094642639,
|
| 44 |
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"cdr2_fw_aligned": 0.5825337171554565,
|
| 45 |
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"cdr3_fw_aligned": 0.5555328130722046,
|
| 46 |
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|
| 47 |
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"num_cdr_residues": 31
|
| 48 |
+
},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 496,
|
| 51 |
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"num_gt_atoms": 496,
|
| 52 |
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"num_aligned_atoms": 496
|
| 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": 436,
|
| 57 |
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"num_aligned_atoms": 436
|
| 58 |
+
}
|
| 59 |
+
}
|
8r4d_B__A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
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|
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|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r4d_B__A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.7032649517059326,
|
| 7 |
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|
| 8 |
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"framework": 2.171445846557617,
|
| 9 |
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"cdr_fw_aligned": 4.353760719299316
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 1065,
|
| 12 |
+
"num_gt_atoms": 769,
|
| 13 |
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"num_aligned_atoms": 728,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.6835680751173709,
|
| 16 |
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|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
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"total": 2.7032649517059326,
|
| 22 |
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"cdr": 3.4403491020202637,
|
| 23 |
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"framework": 2.171445846557617,
|
| 24 |
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|
| 25 |
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|
| 26 |
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"cdr2": 1.4579404592514038,
|
| 27 |
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|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 3.434579610824585,
|
| 30 |
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|
| 31 |
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"num_residues": 107,
|
| 32 |
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"num_cdr_residues": 28
|
| 33 |
+
},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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"num_pred_atoms": 1065,
|
| 36 |
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"num_gt_atoms": 769,
|
| 37 |
+
"num_aligned_atoms": 728
|
| 38 |
+
}
|
| 39 |
+
}
|
8r4d_B__A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r4d_B__A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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|
| 6 |
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"total": 2.9642393589019775,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
+
}
|
| 39 |
+
}
|
8r4d_B__A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8r4d_B__A_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
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| 6 |
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"total": 2.574645519256592,
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| 7 |
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| 8 |
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|
| 9 |
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"cdr_fw_aligned": 4.533120632171631
|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.781021897810219,
|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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"framework": 1.4635292291641235,
|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 28
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
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|
| 36 |
+
"num_gt_atoms": 428,
|
| 37 |
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"num_aligned_atoms": 428
|
| 38 |
+
}
|
| 39 |
+
}
|
8r80_H_L_R_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8r80_H_L_R_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.4934238195419312,
|
| 7 |
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"cdr": 1.7928146123886108,
|
| 8 |
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"framework": 1.2779263854026794,
|
| 9 |
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"cdr_fw_aligned": 2.6955851912498474
|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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"num_aligned_atoms": 1736,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9908675799086758,
|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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"total": 1.8067525625228882,
|
| 22 |
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|
| 23 |
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"framework": 1.4096933603286743,
|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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"cdr3": 2.7926101684570312,
|
| 28 |
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"cdr1_fw_aligned": 2.6398472785949707,
|
| 29 |
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"cdr2_fw_aligned": 2.8306033611297607,
|
| 30 |
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"cdr3_fw_aligned": 4.738450527191162,
|
| 31 |
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"num_residues": 220,
|
| 32 |
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"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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"total": 1.1800950765609741,
|
| 37 |
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"cdr": 0.6581439971923828,
|
| 38 |
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"framework": 1.1461594104766846,
|
| 39 |
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"cdr_fw_aligned": 1.5700331926345825,
|
| 40 |
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"cdr1": 0.39635902643203735,
|
| 41 |
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"cdr2": 0.32179906964302063,
|
| 42 |
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|
| 43 |
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"cdr1_fw_aligned": 1.7408301830291748,
|
| 44 |
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"cdr2_fw_aligned": 1.6199138164520264,
|
| 45 |
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|
| 46 |
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"num_residues": 214,
|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
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},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 896,
|
| 51 |
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"num_gt_atoms": 880,
|
| 52 |
+
"num_aligned_atoms": 880
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 856,
|
| 56 |
+
"num_gt_atoms": 856,
|
| 57 |
+
"num_aligned_atoms": 856
|
| 58 |
+
}
|
| 59 |
+
}
|
8r8k_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 |
+
"entry": "8r8k_H_L_A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.5257270693512305,
|
| 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": 1.107655644416809,
|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
+
},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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"total": 0.6658653020858765,
|
| 37 |
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|
| 38 |
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"framework": 0.7148935794830322,
|
| 39 |
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"cdr_fw_aligned": 0.5009551644325256,
|
| 40 |
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"cdr1": 0.272550493478775,
|
| 41 |
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"cdr2": 0.3774489462375641,
|
| 42 |
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"cdr3": 0.39633795619010925,
|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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},
|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 512
|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 428
|
| 58 |
+
}
|
| 59 |
+
}
|
8r8k_H_L_A_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r8k_H_L_A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.2784895300865173,
|
| 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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"gt_coverage": 0.9265283230510376,
|
| 17 |
+
"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 32
|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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|
| 37 |
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|
| 38 |
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"framework": 1.278576374053955,
|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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"cdr3": 0.4745219945907593,
|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 802,
|
| 57 |
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"num_aligned_atoms": 744
|
| 58 |
+
}
|
| 59 |
+
}
|
8r9y_B_C_A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
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|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
|
|
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|
|
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|
|
| 1 |
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{
|
| 2 |
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"entry": "8r9y_B_C_A_sample_1",
|
| 3 |
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|
| 4 |
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|
| 5 |
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|
| 6 |
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| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": true
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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| 24 |
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|
| 25 |
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| 26 |
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| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 41 |
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|
| 42 |
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|
| 43 |
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| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8r9y_B_C_A_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": true
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
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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": "C",
|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 836
|
| 58 |
+
}
|
| 59 |
+
}
|
8r9y_H_L_A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
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|
|
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|
| 1 |
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{
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| 2 |
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| 3 |
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| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 10 |
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| 11 |
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| 12 |
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| 13 |
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| 14 |
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| 15 |
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| 16 |
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| 17 |
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| 18 |
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| 19 |
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| 20 |
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| 21 |
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| 22 |
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| 23 |
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| 25 |
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| 26 |
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| 27 |
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| 29 |
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| 30 |
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| 31 |
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| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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| 37 |
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| 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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| 48 |
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| 49 |
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| 50 |
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| 51 |
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| 52 |
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| 53 |
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| 54 |
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| 55 |
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| 56 |
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| 57 |
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| 58 |
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|
| 59 |
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|
8r9y_H_L_A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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|
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|
|
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|
| 1 |
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{
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| 2 |
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"entry": "8r9y_H_L_A_sample_2",
|
| 3 |
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| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 10 |
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| 11 |
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|
| 12 |
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| 13 |
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| 14 |
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| 15 |
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| 16 |
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| 17 |
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|
| 18 |
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|
| 19 |
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| 20 |
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|
| 21 |
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| 22 |
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| 23 |
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| 24 |
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| 25 |
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| 26 |
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| 27 |
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| 28 |
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| 29 |
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| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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| 37 |
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| 38 |
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| 40 |
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| 42 |
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| 43 |
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| 44 |
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| 45 |
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| 46 |
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| 47 |
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| 48 |
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|
| 49 |
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| 50 |
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| 51 |
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| 52 |
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| 53 |
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| 54 |
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| 55 |
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| 56 |
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|
| 57 |
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|
| 58 |
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|
| 59 |
+
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|
8r9y_H_L_A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
|
|
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|
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|
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|
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|
|
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|
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|
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|
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|
|
|
|
|
|
|
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|
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|
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|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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|
| 3 |
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|
| 4 |
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|
| 5 |
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| 6 |
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| 7 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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| 22 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 42 |
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|
| 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 |
+
}
|
8r9z_B_C_A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
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|
|
|
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|
|
|
|
|
|
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|
|
|
|
|
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|
|
| 1 |
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{
|
| 2 |
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"entry": "8r9z_B_C_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": true
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
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},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 836
|
| 58 |
+
}
|
| 59 |
+
}
|
8r9z_B_C_A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
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|
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|
| 1 |
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{
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| 2 |
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| 3 |
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| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 10 |
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| 12 |
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| 13 |
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| 14 |
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| 15 |
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| 16 |
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| 17 |
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| 18 |
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| 19 |
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| 20 |
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| 21 |
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| 22 |
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| 26 |
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| 29 |
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| 30 |
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| 32 |
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| 33 |
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| 34 |
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| 35 |
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| 36 |
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| 37 |
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| 38 |
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| 40 |
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| 46 |
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| 48 |
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| 49 |
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| 51 |
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| 53 |
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| 54 |
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| 55 |
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| 57 |
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| 58 |
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| 59 |
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|
8r9z_H_L_A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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|
| 1 |
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{
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| 2 |
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"entry": "8r9z_H_L_A_sample_1",
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| 3 |
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| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 10 |
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| 11 |
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| 12 |
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| 13 |
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| 14 |
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| 15 |
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| 16 |
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| 17 |
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| 18 |
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| 19 |
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| 20 |
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| 21 |
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| 22 |
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| 23 |
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| 28 |
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| 29 |
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| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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| 36 |
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| 37 |
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| 42 |
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| 44 |
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| 45 |
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| 48 |
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| 49 |
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| 51 |
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| 52 |
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| 53 |
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| 54 |
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| 55 |
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| 56 |
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|
| 57 |
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|
| 58 |
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|
| 59 |
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|
8r9z_H_L_A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
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|
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|
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|
|
|
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|
| 1 |
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{
|
| 2 |
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|
| 3 |
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|
| 4 |
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|
| 5 |
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| 6 |
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| 7 |
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| 10 |
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|
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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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|
| 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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| 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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| 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 |
+
}
|
8rek_H_L_A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
| 1 |
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{
|
| 2 |
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"entry": "8rek_H_L_A_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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| 6 |
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|
| 7 |
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| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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| 23 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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| 39 |
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| 40 |
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|
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 840
|
| 58 |
+
}
|
| 59 |
+
}
|
8rek_H_L_A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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|
| 3 |
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|
| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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| 14 |
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|
| 15 |
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| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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| 23 |
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| 24 |
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|
| 25 |
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|
| 26 |
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| 27 |
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| 28 |
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| 29 |
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| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 41 |
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| 42 |
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| 43 |
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| 44 |
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| 45 |
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| 46 |
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| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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| 51 |
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| 52 |
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| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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}
|
| 59 |
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|
8rh0_H_L_A_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
|
|
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|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8rh0_H_L_A_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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| 40 |
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|
| 41 |
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| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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}
|
| 59 |
+
}
|
8rh2_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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|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8rh2_H_L_B_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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},
|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 420
|
| 58 |
+
}
|
| 59 |
+
}
|
8rrn_H_L_A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
|
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|
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|
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|
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|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8rrn_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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|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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|
| 35 |
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"chain_id": "L",
|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
+
}
|
| 59 |
+
}
|
8rrn_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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|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8rrn_H_L_A_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 7.0304625034332275,
|
| 7 |
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| 8 |
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| 9 |
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| 10 |
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| 11 |
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| 12 |
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| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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| 40 |
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| 41 |
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| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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| 57 |
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|
| 58 |
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}
|
| 59 |
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}
|
8rvn_H_L_F_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 |
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{
|
| 2 |
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"entry": "8rvn_H_L_F_sample_0",
|
| 3 |
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|
| 4 |
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"error": null,
|
| 5 |
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| 6 |
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| 7 |
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|
| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 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 |
+
}
|
8rvn_H_L_F_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
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|
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|
|
|
|
|
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|
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|
|
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|
|
|
|
|
|
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|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8rvn_H_L_F_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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| 24 |
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|
| 25 |
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| 26 |
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| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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| 38 |
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| 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 |
+
}
|
8rz2_B_C_A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
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|
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|
|
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|
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|
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|
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|
|
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|
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|
|
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|
|
|
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|
|
|
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|
|
|
|
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|
|
|
|
|
|
|
|
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|
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|
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|
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|
|
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|
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|
|
|
|
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|
|
| 1 |
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{
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| 2 |
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"entry": "8rz2_B_C_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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|
| 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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|
| 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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|
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|
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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}
|
| 59 |
+
}
|
8rz2_B_C_A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
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|
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|
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|
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|
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|
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|
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|
|
|
|
|
|
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|
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|
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|
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|
|
|
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|
|
| 1 |
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{
|
| 2 |
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"entry": "8rz2_B_C_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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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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"total": 7.095324516296387,
|
| 22 |
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|
| 23 |
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"framework": 7.007842540740967,
|
| 24 |
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"cdr_fw_aligned": 8.552115440368652,
|
| 25 |
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"cdr1": 0.4780537784099579,
|
| 26 |
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"cdr2": 0.4684596061706543,
|
| 27 |
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"cdr3": 2.3746514320373535,
|
| 28 |
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"cdr1_fw_aligned": 11.17764663696289,
|
| 29 |
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"cdr2_fw_aligned": 10.138598442077637,
|
| 30 |
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"cdr3_fw_aligned": 5.369187831878662,
|
| 31 |
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"num_residues": 215,
|
| 32 |
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"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "C",
|
| 36 |
+
"total": 6.904477596282959,
|
| 37 |
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"cdr": 1.0165364742279053,
|
| 38 |
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"framework": 6.434706211090088,
|
| 39 |
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"cdr_fw_aligned": 11.621728897094727,
|
| 40 |
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"cdr1": 0.48144373297691345,
|
| 41 |
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"cdr2": 0.8464319705963135,
|
| 42 |
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"cdr3": 1.098695993423462,
|
| 43 |
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"cdr1_fw_aligned": 12.92261791229248,
|
| 44 |
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"cdr2_fw_aligned": 9.883604049682617,
|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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}
|
| 59 |
+
}
|
8rz2_B_C_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 |
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"entry": "8rz2_B_C_A_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 6.891395330429077,
|
| 7 |
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|
| 8 |
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"framework": 6.602076053619385,
|
| 9 |
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|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 1964,
|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.8676171079429735,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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"total": 7.232176303863525,
|
| 22 |
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|
| 23 |
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|
| 24 |
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"cdr_fw_aligned": 9.7040433883667,
|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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"num_residues": 215,
|
| 32 |
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"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "C",
|
| 36 |
+
"total": 6.550614356994629,
|
| 37 |
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"cdr": 0.4590848386287689,
|
| 38 |
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"framework": 6.170011043548584,
|
| 39 |
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"cdr_fw_aligned": 10.171090126037598,
|
| 40 |
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|
| 41 |
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"cdr2": 0.30492058396339417,
|
| 42 |
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"cdr3": 0.3589281439781189,
|
| 43 |
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"cdr1_fw_aligned": 11.635607719421387,
|
| 44 |
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"cdr2_fw_aligned": 8.510396957397461,
|
| 45 |
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"cdr3_fw_aligned": 9.243943214416504,
|
| 46 |
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"num_residues": 211,
|
| 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": 1024,
|
| 51 |
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"num_gt_atoms": 860,
|
| 52 |
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"num_aligned_atoms": 860
|
| 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": 844,
|
| 57 |
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"num_aligned_atoms": 844
|
| 58 |
+
}
|
| 59 |
+
}
|
8s0n_B__A_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
|
|
|
|
|
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|
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|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8s0n_B__A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.573580265045166,
|
| 7 |
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"cdr": 2.5122764110565186,
|
| 8 |
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"framework": 1.0516936779022217,
|
| 9 |
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"cdr_fw_aligned": 2.986435651779175
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1137,
|
| 12 |
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"num_gt_atoms": 991,
|
| 13 |
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"num_aligned_atoms": 918,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.8073878627968337,
|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
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"total": 1.573580265045166,
|
| 22 |
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"cdr": 2.5122764110565186,
|
| 23 |
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"framework": 1.0516936779022217,
|
| 24 |
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"cdr_fw_aligned": 2.986435651779175,
|
| 25 |
+
"cdr1": 0.3069719970226288,
|
| 26 |
+
"cdr2": 0.9608464241027832,
|
| 27 |
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"cdr3": 2.9998209476470947,
|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 1.1120809316635132,
|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
+
},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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"num_pred_atoms": 1137,
|
| 36 |
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"num_gt_atoms": 991,
|
| 37 |
+
"num_aligned_atoms": 918
|
| 38 |
+
}
|
| 39 |
+
}
|
8s5w_B__A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
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|
|
|
|
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|
|
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|
|
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|
|
|
|
|
|
|
|
|
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|
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|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8s5w_B__A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.842172384262085,
|
| 7 |
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|
| 8 |
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|
| 9 |
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"cdr_fw_aligned": 6.5114665031433105
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 560,
|
| 12 |
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"num_gt_atoms": 488,
|
| 13 |
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"num_aligned_atoms": 488,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.8714285714285714,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
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"total": 2.842172384262085,
|
| 22 |
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"cdr": 4.500392913818359,
|
| 23 |
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"framework": 0.6275100111961365,
|
| 24 |
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"cdr_fw_aligned": 6.5114665031433105,
|
| 25 |
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"cdr1": 2.518376350402832,
|
| 26 |
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"cdr2": 1.5423282384872437,
|
| 27 |
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"cdr3": 2.9490275382995605,
|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 2.029905319213867,
|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 27
|
| 33 |
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},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
+
"num_gt_atoms": 488,
|
| 37 |
+
"num_aligned_atoms": 488
|
| 38 |
+
}
|
| 39 |
+
}
|
8s5w_B__A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
+
"entry": "8s5w_B__A_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 560,
|
| 12 |
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"num_gt_atoms": 488,
|
| 13 |
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"num_aligned_atoms": 488,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.8714285714285714,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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|
| 22 |
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"cdr": 4.260725975036621,
|
| 23 |
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"framework": 0.6543157696723938,
|
| 24 |
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"cdr_fw_aligned": 5.63797664642334,
|
| 25 |
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"cdr1": 2.244093894958496,
|
| 26 |
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"cdr2": 1.435225248336792,
|
| 27 |
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"cdr3": 3.305668592453003,
|
| 28 |
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"cdr1_fw_aligned": 3.5015993118286133,
|
| 29 |
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"cdr2_fw_aligned": 1.8312476873397827,
|
| 30 |
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"cdr3_fw_aligned": 7.330421447753906,
|
| 31 |
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"num_residues": 122,
|
| 32 |
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"num_cdr_residues": 27
|
| 33 |
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},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 560,
|
| 36 |
+
"num_gt_atoms": 488,
|
| 37 |
+
"num_aligned_atoms": 488
|
| 38 |
+
}
|
| 39 |
+
}
|
8s61_B__A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8s61_B__A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.9395735263824463,
|
| 7 |
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|
| 8 |
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"framework": 0.6620002388954163,
|
| 9 |
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"cdr_fw_aligned": 6.50120210647583
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 488,
|
| 12 |
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"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 |
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"total": 2.9395735263824463,
|
| 22 |
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"cdr": 4.700395107269287,
|
| 23 |
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"framework": 0.6620002388954163,
|
| 24 |
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"cdr_fw_aligned": 6.50120210647583,
|
| 25 |
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"cdr1": 2.380323886871338,
|
| 26 |
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"cdr2": 1.598523736000061,
|
| 27 |
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"cdr3": 3.2657814025878906,
|
| 28 |
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"cdr1_fw_aligned": 3.0175209045410156,
|
| 29 |
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"cdr2_fw_aligned": 2.1177663803100586,
|
| 30 |
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"cdr3_fw_aligned": 8.66242504119873,
|
| 31 |
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"num_residues": 122,
|
| 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_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
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|
| 1 |
+
{
|
| 2 |
+
"entry": "8sdg_G_I_C_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 3.231327533721924,
|
| 7 |
+
"cdr": 2.827612340450287,
|
| 8 |
+
"framework": 2.8172945976257324,
|
| 9 |
+
"cdr_fw_aligned": 5.839298725128174
|
| 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": 3.3493568897247314,
|
| 22 |
+
"cdr": 4.058887004852295,
|
| 23 |
+
"framework": 2.958927869796753,
|
| 24 |
+
"cdr_fw_aligned": 5.790739059448242,
|
| 25 |
+
"cdr1": 0.6206625699996948,
|
| 26 |
+
"cdr2": 1.8501203060150146,
|
| 27 |
+
"cdr3": 2.7989368438720703,
|
| 28 |
+
"cdr1_fw_aligned": 5.311312198638916,
|
| 29 |
+
"cdr2_fw_aligned": 5.69381856918335,
|
| 30 |
+
"cdr3_fw_aligned": 6.089646339416504,
|
| 31 |
+
"num_residues": 219,
|
| 32 |
+
"num_cdr_residues": 28
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "I",
|
| 36 |
+
"total": 3.113298177719116,
|
| 37 |
+
"cdr": 1.5963376760482788,
|
| 38 |
+
"framework": 2.675661325454712,
|
| 39 |
+
"cdr_fw_aligned": 5.8878583908081055,
|
| 40 |
+
"cdr1": 0.32098475098609924,
|
| 41 |
+
"cdr2": 0.3798391819000244,
|
| 42 |
+
"cdr3": 2.200702667236328,
|
| 43 |
+
"cdr1_fw_aligned": 5.608752727508545,
|
| 44 |
+
"cdr2_fw_aligned": 4.136055946350098,
|
| 45 |
+
"cdr3_fw_aligned": 7.00358772277832,
|
| 46 |
+
"num_residues": 213,
|
| 47 |
+
"num_cdr_residues": 29
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 904,
|
| 51 |
+
"num_gt_atoms": 876,
|
| 52 |
+
"num_aligned_atoms": 876
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 860,
|
| 56 |
+
"num_gt_atoms": 852,
|
| 57 |
+
"num_aligned_atoms": 852
|
| 58 |
+
}
|
| 59 |
+
}
|