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- 7vgs_D_C_A_sample_0_rmsd_backbone.json +59 -0
- 7xic_K_L_B_sample_1_rmsd_backbone.json +59 -0
- 8e1m_H_L_C_sample_1_rmsd.json +59 -0
- 8e1m_H_L_C_sample_4_rmsd.json +59 -0
- 8q7o_A__C_sample_0_rmsd_backbone.json +39 -0
- 8q7s_F__D_sample_1_rmsd_backbone.json +39 -0
- 8q94_C__A_sample_0_rmsd_backbone.json +39 -0
- 8q94_C__A_sample_1_rmsd.json +39 -0
- 8q94_C__A_sample_4_rmsd.json +39 -0
- 8qf5_G__H_sample_3_rmsd_backbone.json +39 -0
- 8qz1_C__B_sample_0_rmsd.json +39 -0
- 8qz1_C__B_sample_1_rmsd.json +39 -0
- 8qz1_C__B_sample_2_rmsd_backbone.json +39 -0
- 8qz3_C__B_sample_1_rmsd_backbone.json +39 -0
- 8qz7_B__A_sample_0_rmsd_backbone.json +39 -0
- 8r1c_H_L_A_sample_2_rmsd_backbone.json +59 -0
- 8r40_A_a_C_sample_1_rmsd.json +59 -0
- 8r80_H_L_R_sample_1_rmsd_backbone.json +59 -0
- 8r80_H_L_R_sample_2_rmsd.json +59 -0
- 8r8k_H_L_A_sample_1_rmsd_backbone.json +59 -0
- 8r9z_B_C_A_sample_4_rmsd.json +59 -0
- 8r9z_H_L_A_sample_0_rmsd_backbone.json +59 -0
- 8rek_H_L_A_sample_1_rmsd_backbone.json +59 -0
- 8rh2_H_L_B_sample_2_rmsd_backbone.json +59 -0
- 8rvn_H_L_F_sample_1_rmsd_backbone.json +59 -0
- 8rz2_B_C_A_sample_3_rmsd_backbone.json +59 -0
- 8rz2_B_C_A_sample_4_rmsd_backbone.json +59 -0
- 8s0n_B__A_sample_0_rmsd.json +39 -0
- 8s0n_B__A_sample_1_rmsd.json +39 -0
- 8s5w_B__A_sample_2_rmsd_backbone.json +39 -0
- 8s61_B__A_sample_0_rmsd.json +39 -0
- 8s61_B__A_sample_1_rmsd.json +39 -0
- 8s61_B__A_sample_4_rmsd_backbone.json +39 -0
- 8scx_H_L_C_sample_3_rmsd.json +59 -0
- 8sdg_G_I_C_sample_3_rmsd.json +59 -0
- 8sgi_H_L_A_sample_0_rmsd.json +59 -0
- 8sgi_H_L_A_sample_1_rmsd.json +59 -0
- 8sgi_H_L_A_sample_1_rmsd_backbone.json +59 -0
- 8sgj_H_L_A_sample_1_rmsd_backbone.json +59 -0
- 8sgj_H_L_A_sample_2_rmsd.json +59 -0
- 8sgj_H_L_A_sample_3_rmsd.json +59 -0
- 8sic_A_B_E_sample_3_rmsd_backbone.json +59 -0
- 8sit_H_L_A_sample_1_rmsd_backbone.json +59 -0
- 8slb_H_L_A_sample_4_rmsd_backbone.json +59 -0
- 8smk_B_C_A_sample_2_rmsd_backbone.json +59 -0
- 8smm_H_L_A_sample_2_rmsd_backbone.json +59 -0
- 8smp_H_L_A_sample_2_rmsd_backbone.json +59 -0
- 8sne_C__A_sample_3_rmsd_backbone.json +39 -0
- 8sne_C__A_sample_4_rmsd_backbone.json +39 -0
- 8so3_Y_Z_X_sample_2_rmsd.json +59 -0
7vgs_D_C_A_sample_0_rmsd_backbone.json
ADDED
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{
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"entry": "7vgs_D_C_A_sample_0",
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"success": true,
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"error": null,
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"rmsd": {
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"total": 0.9761779606342316,
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"cdr": 1.1415712237358093,
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"framework": 0.8967962861061096,
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"num_aligned_atoms": 1724,
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"alignment_coverage": {
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"pred_coverage": 0.9642058165548099,
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"gt_coverage": 1.0,
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"full_coverage": false
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"heavy_chain": {
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"chain_id": "D",
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"total": 0.864362895488739,
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"cdr": 1.0115954875946045,
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"framework": 0.8318406939506531,
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"cdr1": 0.9031720757484436,
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"cdr2": 0.7601029276847839,
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"cdr3": 0.543541431427002,
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"cdr1_fw_aligned": 1.247467279434204,
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"cdr2_fw_aligned": 1.3409078121185303,
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"cdr3_fw_aligned": 0.7525517344474792,
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"num_residues": 213,
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"num_cdr_residues": 17
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},
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"light_chain": {
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"chain_id": "C",
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"total": 1.0879930257797241,
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| 37 |
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"cdr": 1.2715469598770142,
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| 38 |
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"framework": 0.9617518782615662,
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"cdr_fw_aligned": 1.7620245218276978,
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"cdr1": 1.3411850929260254,
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"cdr2": 0.9541555643081665,
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"cdr3": 1.0339860916137695,
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"cdr1_fw_aligned": 2.13618803024292,
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| 44 |
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"cdr2_fw_aligned": 1.377357840538025,
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"cdr3_fw_aligned": 1.2700560092926025,
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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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| 51 |
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"num_gt_atoms": 852,
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"num_aligned_atoms": 852
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"light_chain_atom_counts": {
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"num_pred_atoms": 872,
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}
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}
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7xic_K_L_B_sample_1_rmsd_backbone.json
ADDED
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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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"error": null,
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"rmsd": {
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"total": 1.20521280169487,
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| 7 |
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"cdr": 1.9112697839736938,
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"framework": 0.4796663969755173,
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| 9 |
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"cdr_fw_aligned": 2.351546496152878
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},
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"num_pred_atoms": 948,
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| 12 |
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"num_gt_atoms": 948,
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| 13 |
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"num_aligned_atoms": 948,
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| 14 |
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"alignment_coverage": {
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| 15 |
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"pred_coverage": 1.0,
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| 16 |
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"gt_coverage": 1.0,
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| 17 |
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"full_coverage": true
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| 18 |
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},
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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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"total": 1.9122709035873413,
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| 22 |
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"cdr": 3.3317935466766357,
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"framework": 0.5092127323150635,
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"cdr_fw_aligned": 4.059877872467041,
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"cdr1": 0.22757725417613983,
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"cdr2": 0.28033292293548584,
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"cdr3": 3.313246488571167,
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"cdr1_fw_aligned": 0.38384267687797546,
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"cdr2_fw_aligned": 0.7503734827041626,
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| 30 |
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"cdr3_fw_aligned": 5.246718406677246,
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| 31 |
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"num_residues": 129,
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| 32 |
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"num_cdr_residues": 32
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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": "L",
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| 36 |
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"total": 0.4981546998023987,
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"cdr2": 0.23894934356212616,
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"cdr3": 0.5917531847953796,
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"cdr1_fw_aligned": 0.4401226341724396,
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"cdr2_fw_aligned": 0.384364515542984,
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"cdr3_fw_aligned": 0.9175732731819153,
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"num_residues": 108,
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| 48 |
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"heavy_chain_atom_counts": {
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"num_pred_atoms": 516,
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"num_aligned_atoms": 516
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"light_chain_atom_counts": {
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"num_pred_atoms": 432,
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"num_aligned_atoms": 432
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| 58 |
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}
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| 59 |
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}
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8e1m_H_L_C_sample_1_rmsd.json
ADDED
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{
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"entry": "8e1m_H_L_C_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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"alignment_coverage": {
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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": "H",
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| 21 |
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| 30 |
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| 32 |
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| 33 |
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| 34 |
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"cdr1_fw_aligned": 1.1937968730926514,
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"num_residues": 111,
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|
| 48 |
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"heavy_chain_atom_counts": {
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| 52 |
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| 53 |
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| 58 |
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}
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| 59 |
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}
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8e1m_H_L_C_sample_4_rmsd.json
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{
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"entry": "8e1m_H_L_C_sample_4",
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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": 1.0781724750995636,
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| 7 |
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"cdr": 1.1855705976486206,
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| 8 |
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"framework": 1.0216048061847687,
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| 9 |
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"cdr_fw_aligned": 1.2870599031448364
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| 10 |
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},
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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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"num_cdr_residues": 21
|
| 33 |
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|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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|
| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 41 |
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| 42 |
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| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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"num_cdr_residues": 31
|
| 48 |
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|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 901
|
| 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": 837
|
| 58 |
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}
|
| 59 |
+
}
|
8q7o_A__C_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8q7o_A__C_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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| 7 |
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|
| 8 |
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| 9 |
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|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 496,
|
| 12 |
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"num_gt_atoms": 480,
|
| 13 |
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"num_aligned_atoms": 480,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 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": "A",
|
| 21 |
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"total": 0.5895403623580933,
|
| 22 |
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"cdr": 0.4033650755882263,
|
| 23 |
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"framework": 0.6086891889572144,
|
| 24 |
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"cdr_fw_aligned": 0.5468752980232239,
|
| 25 |
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"cdr1": 0.5177678465843201,
|
| 26 |
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"cdr2": 0.12346357107162476,
|
| 27 |
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"cdr3": 0.15474754571914673,
|
| 28 |
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"cdr1_fw_aligned": 0.7201031446456909,
|
| 29 |
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"cdr2_fw_aligned": 0.4116010069847107,
|
| 30 |
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"cdr3_fw_aligned": 0.4672695994377136,
|
| 31 |
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"num_residues": 120,
|
| 32 |
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"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 496,
|
| 36 |
+
"num_gt_atoms": 480,
|
| 37 |
+
"num_aligned_atoms": 480
|
| 38 |
+
}
|
| 39 |
+
}
|
8q7s_F__D_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8q7s_F__D_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"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": 524,
|
| 12 |
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"num_gt_atoms": 512,
|
| 13 |
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"num_aligned_atoms": 512,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9770992366412213,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
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},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "F",
|
| 21 |
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"total": 1.3210079669952393,
|
| 22 |
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"cdr": 2.179267644882202,
|
| 23 |
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"framework": 0.5025573968887329,
|
| 24 |
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"cdr_fw_aligned": 2.602224588394165,
|
| 25 |
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"cdr1": 2.2410855293273926,
|
| 26 |
+
"cdr2": 0.24610278010368347,
|
| 27 |
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"cdr3": 1.6085456609725952,
|
| 28 |
+
"cdr1_fw_aligned": 4.42402458190918,
|
| 29 |
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"cdr2_fw_aligned": 0.6617504954338074,
|
| 30 |
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"cdr3_fw_aligned": 2.013883352279663,
|
| 31 |
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"num_residues": 128,
|
| 32 |
+
"num_cdr_residues": 32
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 524,
|
| 36 |
+
"num_gt_atoms": 512,
|
| 37 |
+
"num_aligned_atoms": 512
|
| 38 |
+
}
|
| 39 |
+
}
|
8q94_C__A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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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": "8q94_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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"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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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "C",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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"cdr2": 0.36831551790237427,
|
| 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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"heavy_chain_atom_counts": {
|
| 35 |
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"num_pred_atoms": 528,
|
| 36 |
+
"num_gt_atoms": 508,
|
| 37 |
+
"num_aligned_atoms": 508
|
| 38 |
+
}
|
| 39 |
+
}
|
8q94_C__A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
+
"entry": "8q94_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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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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"num_aligned_atoms": 958
|
| 38 |
+
}
|
| 39 |
+
}
|
8q94_C__A_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
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|
|
|
|
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|
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|
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|
|
|
|
|
|
|
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|
|
|
|
|
|
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|
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|
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|
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|
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|
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|
|
|
|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8q94_C__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": 2.4669432640075684,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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"num_gt_atoms": 958,
|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9706180344478217,
|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "C",
|
| 21 |
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"total": 2.4669432640075684,
|
| 22 |
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"cdr": 3.7803590297698975,
|
| 23 |
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"framework": 1.6731446981430054,
|
| 24 |
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|
| 25 |
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"cdr1": 3.685502052307129,
|
| 26 |
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"cdr2": 1.829406499862671,
|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
+
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|
| 35 |
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|
| 36 |
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"num_gt_atoms": 958,
|
| 37 |
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"num_aligned_atoms": 958
|
| 38 |
+
}
|
| 39 |
+
}
|
8qf5_G__H_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qf5_G__H_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
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|
| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": 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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"cdr2_fw_aligned": 0.6756806373596191,
|
| 30 |
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"cdr3_fw_aligned": 6.632748126983643,
|
| 31 |
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"num_residues": 120,
|
| 32 |
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"num_cdr_residues": 22
|
| 33 |
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|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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"num_pred_atoms": 480,
|
| 36 |
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"num_gt_atoms": 480,
|
| 37 |
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"num_aligned_atoms": 480
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz1_C__B_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
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|
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|
|
|
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|
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|
|
|
|
|
|
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|
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|
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|
|
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|
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|
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|
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|
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|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz1_C__B_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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"framework": 1.6044584512710571,
|
| 9 |
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"cdr_fw_aligned": 2.423713445663452
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 1040,
|
| 12 |
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"num_gt_atoms": 935,
|
| 13 |
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"num_aligned_atoms": 935,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.8990384615384616,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "C",
|
| 21 |
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"total": 1.7994505167007446,
|
| 22 |
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"cdr": 2.151106119155884,
|
| 23 |
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"framework": 1.6044584512710571,
|
| 24 |
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"cdr_fw_aligned": 2.423713445663452,
|
| 25 |
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"cdr1": 2.589728832244873,
|
| 26 |
+
"cdr2": 1.8580870628356934,
|
| 27 |
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"cdr3": 1.2239229679107666,
|
| 28 |
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"cdr1_fw_aligned": 3.668307065963745,
|
| 29 |
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"cdr2_fw_aligned": 3.284757137298584,
|
| 30 |
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"cdr3_fw_aligned": 1.3968143463134766,
|
| 31 |
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"num_residues": 129,
|
| 32 |
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"num_cdr_residues": 30
|
| 33 |
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},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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"num_pred_atoms": 1040,
|
| 36 |
+
"num_gt_atoms": 935,
|
| 37 |
+
"num_aligned_atoms": 935
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz1_C__B_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
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|
|
|
|
|
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|
|
|
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|
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|
|
|
|
|
|
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|
|
|
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|
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|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8qz1_C__B_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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"num_gt_atoms": 935,
|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.8990384615384616,
|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "C",
|
| 21 |
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"total": 2.02496337890625,
|
| 22 |
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"cdr": 2.1170654296875,
|
| 23 |
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"framework": 1.9338834285736084,
|
| 24 |
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|
| 25 |
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"cdr1": 2.5958800315856934,
|
| 26 |
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"cdr2": 1.706345558166504,
|
| 27 |
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"cdr3": 1.0011961460113525,
|
| 28 |
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"cdr1_fw_aligned": 4.032687664031982,
|
| 29 |
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"cdr2_fw_aligned": 3.177685499191284,
|
| 30 |
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"cdr3_fw_aligned": 1.0471892356872559,
|
| 31 |
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"num_residues": 129,
|
| 32 |
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"num_cdr_residues": 30
|
| 33 |
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},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
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"num_pred_atoms": 1040,
|
| 36 |
+
"num_gt_atoms": 935,
|
| 37 |
+
"num_aligned_atoms": 935
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz1_C__B_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
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|
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|
|
|
|
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|
|
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|
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|
|
|
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|
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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_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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"num_aligned_atoms": 516,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "C",
|
| 21 |
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|
| 22 |
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|
| 23 |
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"framework": 0.8782273530960083,
|
| 24 |
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|
| 25 |
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"cdr1": 2.6093714237213135,
|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 1.4608360528945923,
|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 30
|
| 33 |
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|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
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"num_gt_atoms": 516,
|
| 37 |
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"num_aligned_atoms": 516
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz3_C__B_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz3_C__B_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "C",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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"cdr1": 1.6417418718338013,
|
| 26 |
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"cdr2": 0.2445029616355896,
|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
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"num_gt_atoms": 508,
|
| 37 |
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|
| 38 |
+
}
|
| 39 |
+
}
|
8qz7_B__A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
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|
|
|
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|
|
|
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|
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|
|
|
|
|
|
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|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
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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": 1.0633869171142578,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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|
| 22 |
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|
| 23 |
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"framework": 0.6114904284477234,
|
| 24 |
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|
| 25 |
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"cdr1": 0.311044305562973,
|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
+
}
|
| 39 |
+
}
|
8r1c_H_L_A_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
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|
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|
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|
|
| 1 |
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{
|
| 2 |
+
"entry": "8r1c_H_L_A_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.2494339644908905,
|
| 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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|
8r40_A_a_C_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": "8r40_A_a_C_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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| 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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"cdr2_fw_aligned": 33.61777877807617,
|
| 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 |
+
}
|
8r80_H_L_R_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
|
|
|
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|
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|
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|
|
|
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|
|
|
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|
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|
|
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|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
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|
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|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8r80_H_L_R_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 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 |
+
}
|
| 59 |
+
}
|
8r80_H_L_R_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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|
|
|
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|
|
|
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|
|
|
|
|
|
|
| 1 |
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{
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| 2 |
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"entry": "8r80_H_L_R_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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| 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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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
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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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|
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|
| 57 |
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|
| 58 |
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}
|
| 59 |
+
}
|
8r8k_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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|
|
| 1 |
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{
|
| 2 |
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"entry": "8r8k_H_L_A_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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|
| 5 |
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|
| 6 |
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|
| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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}
|
| 59 |
+
}
|
8r9z_B_C_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8r9z_B_C_A_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 1.0,
|
| 16 |
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|
| 17 |
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"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
+
},
|
| 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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"framework": 1.2195433378219604,
|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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"cdr3": 0.8877539038658142,
|
| 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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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
+
}
|
| 59 |
+
}
|
8r9z_H_L_A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8r9z_H_L_A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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"num_aligned_atoms": 1724,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": true
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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"num_residues": 219,
|
| 32 |
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|
| 33 |
+
},
|
| 34 |
+
"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": 848
|
| 58 |
+
}
|
| 59 |
+
}
|
8rek_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8rek_H_L_A_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 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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"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": 840
|
| 58 |
+
}
|
| 59 |
+
}
|
8rh2_H_L_B_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8rh2_H_L_B_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.0419534742832184,
|
| 7 |
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"cdr": 1.654783844947815,
|
| 8 |
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"framework": 0.5547280609607697,
|
| 9 |
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"cdr_fw_aligned": 1.9090107679367065
|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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"num_aligned_atoms": 896,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.3373493975903614,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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"total": 1.368587613105774,
|
| 22 |
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"cdr": 2.6917548179626465,
|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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"cdr3": 2.281641721725464,
|
| 28 |
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"cdr1_fw_aligned": 1.5522600412368774,
|
| 29 |
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"cdr2_fw_aligned": 0.6305063962936401,
|
| 30 |
+
"cdr3_fw_aligned": 3.8664820194244385,
|
| 31 |
+
"num_residues": 119,
|
| 32 |
+
"num_cdr_residues": 26
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 0.7153193354606628,
|
| 37 |
+
"cdr": 0.6178128719329834,
|
| 38 |
+
"framework": 0.6652334928512573,
|
| 39 |
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"cdr_fw_aligned": 0.951793909072876,
|
| 40 |
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"cdr1": 0.36993393301963806,
|
| 41 |
+
"cdr2": 0.44522449374198914,
|
| 42 |
+
"cdr3": 0.33631691336631775,
|
| 43 |
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"cdr1_fw_aligned": 0.6036774516105652,
|
| 44 |
+
"cdr2_fw_aligned": 0.6145873069763184,
|
| 45 |
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"cdr3_fw_aligned": 1.4066228866577148,
|
| 46 |
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|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 1808,
|
| 51 |
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"num_gt_atoms": 476,
|
| 52 |
+
"num_aligned_atoms": 476
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 848,
|
| 56 |
+
"num_gt_atoms": 420,
|
| 57 |
+
"num_aligned_atoms": 420
|
| 58 |
+
}
|
| 59 |
+
}
|
8rvn_H_L_F_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
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|
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|
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|
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|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8rvn_H_L_F_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
+
"total": 1.7602620124816895,
|
| 7 |
+
"cdr": 2.012966752052307,
|
| 8 |
+
"framework": 1.4541503489017487,
|
| 9 |
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"cdr_fw_aligned": 2.5078760385513306
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 1728,
|
| 12 |
+
"num_gt_atoms": 884,
|
| 13 |
+
"num_aligned_atoms": 884,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.5115740740740741,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.580918550491333,
|
| 22 |
+
"cdr": 2.6543192863464355,
|
| 23 |
+
"framework": 0.8487263321876526,
|
| 24 |
+
"cdr_fw_aligned": 3.2928404808044434,
|
| 25 |
+
"cdr1": 0.4695817232131958,
|
| 26 |
+
"cdr2": 1.0137536525726318,
|
| 27 |
+
"cdr3": 2.968930959701538,
|
| 28 |
+
"cdr1_fw_aligned": 1.2338329553604126,
|
| 29 |
+
"cdr2_fw_aligned": 1.3239322900772095,
|
| 30 |
+
"cdr3_fw_aligned": 4.399726867675781,
|
| 31 |
+
"num_residues": 117,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 1.939605474472046,
|
| 37 |
+
"cdr": 1.3716142177581787,
|
| 38 |
+
"framework": 2.0595743656158447,
|
| 39 |
+
"cdr_fw_aligned": 1.7229115962982178,
|
| 40 |
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"cdr1": 0.3622865080833435,
|
| 41 |
+
"cdr2": 0.3617856204509735,
|
| 42 |
+
"cdr3": 1.6635020971298218,
|
| 43 |
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"cdr1_fw_aligned": 1.7736024856567383,
|
| 44 |
+
"cdr2_fw_aligned": 0.8328339457511902,
|
| 45 |
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"cdr3_fw_aligned": 2.0894787311553955,
|
| 46 |
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"num_residues": 104,
|
| 47 |
+
"num_cdr_residues": 28
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 880,
|
| 51 |
+
"num_gt_atoms": 468,
|
| 52 |
+
"num_aligned_atoms": 468
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 848,
|
| 56 |
+
"num_gt_atoms": 416,
|
| 57 |
+
"num_aligned_atoms": 416
|
| 58 |
+
}
|
| 59 |
+
}
|
8rz2_B_C_A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
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|
|
|
|
|
|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8rz2_B_C_A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 8.221166610717773,
|
| 7 |
+
"cdr": 0.8685746788978577,
|
| 8 |
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"framework": 7.819012641906738,
|
| 9 |
+
"cdr_fw_aligned": 12.02150011062622
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1964,
|
| 12 |
+
"num_gt_atoms": 1704,
|
| 13 |
+
"num_aligned_atoms": 1704,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.8676171079429735,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
+
"total": 8.262053489685059,
|
| 22 |
+
"cdr": 1.2821649312973022,
|
| 23 |
+
"framework": 8.065115928649902,
|
| 24 |
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"cdr_fw_aligned": 10.856241226196289,
|
| 25 |
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"cdr1": 0.20653389394283295,
|
| 26 |
+
"cdr2": 0.2582646310329437,
|
| 27 |
+
"cdr3": 1.8224365711212158,
|
| 28 |
+
"cdr1_fw_aligned": 14.053885459899902,
|
| 29 |
+
"cdr2_fw_aligned": 12.177567481994629,
|
| 30 |
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"cdr3_fw_aligned": 7.111123085021973,
|
| 31 |
+
"num_residues": 215,
|
| 32 |
+
"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "C",
|
| 36 |
+
"total": 8.180279731750488,
|
| 37 |
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|
| 38 |
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"framework": 7.572909355163574,
|
| 39 |
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"cdr_fw_aligned": 13.186758995056152,
|
| 40 |
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|
| 41 |
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"cdr2": 0.2528492510318756,
|
| 42 |
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"cdr3": 0.24071989953517914,
|
| 43 |
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"cdr1_fw_aligned": 15.080476760864258,
|
| 44 |
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"cdr2_fw_aligned": 10.669983863830566,
|
| 45 |
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"cdr3_fw_aligned": 12.19983959197998,
|
| 46 |
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"num_residues": 211,
|
| 47 |
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"num_cdr_residues": 31
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 1024,
|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 860
|
| 53 |
+
},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
+
"num_gt_atoms": 844,
|
| 57 |
+
"num_aligned_atoms": 844
|
| 58 |
+
}
|
| 59 |
+
}
|
8rz2_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8rz2_B_C_A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 8.83901834487915,
|
| 7 |
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"cdr": 0.7900289744138718,
|
| 8 |
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"framework": 8.402181625366211,
|
| 9 |
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|
| 10 |
+
},
|
| 11 |
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|
| 12 |
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"num_gt_atoms": 1704,
|
| 13 |
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"num_aligned_atoms": 1704,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.8676171079429735,
|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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"total": 8.927660942077637,
|
| 22 |
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"cdr": 1.258126974105835,
|
| 23 |
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"framework": 8.729962348937988,
|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
+
"num_residues": 215,
|
| 32 |
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|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
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"chain_id": "C",
|
| 36 |
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"total": 8.750375747680664,
|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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"cdr2_fw_aligned": 11.207908630371094,
|
| 45 |
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|
| 46 |
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|
| 47 |
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"num_cdr_residues": 31
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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|
| 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": 844
|
| 58 |
+
}
|
| 59 |
+
}
|
8s0n_B__A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8s0n_B__A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 2.359760046005249,
|
| 7 |
+
"cdr": 4.158201217651367,
|
| 8 |
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"framework": 1.143220067024231,
|
| 9 |
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"cdr_fw_aligned": 4.357405662536621
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 1126,
|
| 12 |
+
"num_gt_atoms": 991,
|
| 13 |
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"num_aligned_atoms": 991,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.8801065719360568,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
+
"total": 2.359760046005249,
|
| 22 |
+
"cdr": 4.158201217651367,
|
| 23 |
+
"framework": 1.143220067024231,
|
| 24 |
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"cdr_fw_aligned": 4.357405662536621,
|
| 25 |
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"cdr1": 0.7809291481971741,
|
| 26 |
+
"cdr2": 1.2182344198226929,
|
| 27 |
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"cdr3": 5.1141767501831055,
|
| 28 |
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"cdr1_fw_aligned": 1.7801399230957031,
|
| 29 |
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"cdr2_fw_aligned": 1.7245742082595825,
|
| 30 |
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"cdr3_fw_aligned": 5.338990211486816,
|
| 31 |
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"num_residues": 130,
|
| 32 |
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"num_cdr_residues": 32
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 1126,
|
| 36 |
+
"num_gt_atoms": 991,
|
| 37 |
+
"num_aligned_atoms": 991
|
| 38 |
+
}
|
| 39 |
+
}
|
8s0n_B__A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8s0n_B__A_sample_1",
|
| 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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|
| 15 |
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"pred_coverage": 0.8801065719360568,
|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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"chain_id": "B",
|
| 21 |
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"total": 2.363924503326416,
|
| 22 |
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|
| 23 |
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"framework": 0.9720708131790161,
|
| 24 |
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"cdr_fw_aligned": 4.601006984710693,
|
| 25 |
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"cdr1": 0.8369204998016357,
|
| 26 |
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"cdr2": 0.8174871206283569,
|
| 27 |
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"cdr3": 5.050292491912842,
|
| 28 |
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"cdr1_fw_aligned": 1.3684170246124268,
|
| 29 |
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"cdr2_fw_aligned": 1.0444586277008057,
|
| 30 |
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"cdr3_fw_aligned": 5.7368879318237305,
|
| 31 |
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"num_residues": 130,
|
| 32 |
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"num_cdr_residues": 32
|
| 33 |
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},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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"num_pred_atoms": 1126,
|
| 36 |
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"num_gt_atoms": 991,
|
| 37 |
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"num_aligned_atoms": 991
|
| 38 |
+
}
|
| 39 |
+
}
|
8s5w_B__A_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
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|
|
|
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|
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|
|
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|
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|
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|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8s5w_B__A_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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"total": 3.011763095855713,
|
| 7 |
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|
| 8 |
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|
| 9 |
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"cdr_fw_aligned": 6.776167392730713
|
| 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 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
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"total": 3.011763095855713,
|
| 22 |
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"cdr": 4.620048522949219,
|
| 23 |
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"framework": 0.6393481492996216,
|
| 24 |
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"cdr_fw_aligned": 6.776167392730713,
|
| 25 |
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"cdr1": 2.426264524459839,
|
| 26 |
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"cdr2": 1.524295449256897,
|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 3.4928832054138184,
|
| 29 |
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"cdr2_fw_aligned": 1.9867219924926758,
|
| 30 |
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"cdr3_fw_aligned": 8.986738204956055,
|
| 31 |
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"num_residues": 122,
|
| 32 |
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"num_cdr_residues": 27
|
| 33 |
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},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 560,
|
| 36 |
+
"num_gt_atoms": 488,
|
| 37 |
+
"num_aligned_atoms": 488
|
| 38 |
+
}
|
| 39 |
+
}
|
8s61_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8s61_B__A_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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"num_gt_atoms": 935,
|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 1.0,
|
| 16 |
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|
| 17 |
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"full_coverage": true
|
| 18 |
+
},
|
| 19 |
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|
| 20 |
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"chain_id": "B",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 4.742685794830322,
|
| 30 |
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"cdr3_fw_aligned": 8.120427131652832,
|
| 31 |
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|
| 32 |
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"num_cdr_residues": 27
|
| 33 |
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|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
+
"num_gt_atoms": 935,
|
| 37 |
+
"num_aligned_atoms": 935
|
| 38 |
+
}
|
| 39 |
+
}
|
8s61_B__A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8s61_B__A_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 3.0576539039611816,
|
| 7 |
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"cdr": 5.176634788513184,
|
| 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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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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"num_aligned_atoms": 935
|
| 38 |
+
}
|
| 39 |
+
}
|
8s61_B__A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8s61_B__A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.5326015949249268,
|
| 7 |
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"cdr": 4.476947784423828,
|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 488,
|
| 12 |
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"num_gt_atoms": 488,
|
| 13 |
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"num_aligned_atoms": 488,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 1.0,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
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"total": 2.5326015949249268,
|
| 22 |
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"cdr": 4.476947784423828,
|
| 23 |
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"framework": 1.0111452341079712,
|
| 24 |
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"cdr_fw_aligned": 5.289093494415283,
|
| 25 |
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"cdr1": 2.9115278720855713,
|
| 26 |
+
"cdr2": 1.6123002767562866,
|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 3.4051101207733154,
|
| 29 |
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"cdr2_fw_aligned": 2.414702892303467,
|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 488,
|
| 36 |
+
"num_gt_atoms": 488,
|
| 37 |
+
"num_aligned_atoms": 488
|
| 38 |
+
}
|
| 39 |
+
}
|
8scx_H_L_C_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8scx_H_L_C_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.0197334289550781,
|
| 7 |
+
"cdr": 1.039498746395111,
|
| 8 |
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"framework": 0.9848446547985077,
|
| 9 |
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"cdr_fw_aligned": 1.137509286403656
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 3622,
|
| 12 |
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"num_gt_atoms": 1738,
|
| 13 |
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"num_aligned_atoms": 1738,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.4798453892876864,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.1101949214935303,
|
| 22 |
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"cdr": 1.036360263824463,
|
| 23 |
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"framework": 1.1070311069488525,
|
| 24 |
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"cdr_fw_aligned": 1.166877269744873,
|
| 25 |
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"cdr1": 0.507594883441925,
|
| 26 |
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"cdr2": 0.7968040108680725,
|
| 27 |
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"cdr3": 0.950130820274353,
|
| 28 |
+
"cdr1_fw_aligned": 0.7222927808761597,
|
| 29 |
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"cdr2_fw_aligned": 1.4842336177825928,
|
| 30 |
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"cdr3_fw_aligned": 1.239106297492981,
|
| 31 |
+
"num_residues": 117,
|
| 32 |
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"num_cdr_residues": 21
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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"total": 0.929271936416626,
|
| 37 |
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"cdr": 1.0426372289657593,
|
| 38 |
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"framework": 0.8626582026481628,
|
| 39 |
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"cdr_fw_aligned": 1.108141303062439,
|
| 40 |
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"cdr1": 1.176174283027649,
|
| 41 |
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"cdr2": 0.7710898518562317,
|
| 42 |
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|
| 43 |
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"cdr1_fw_aligned": 1.3432879447937012,
|
| 44 |
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"cdr2_fw_aligned": 0.8171218633651733,
|
| 45 |
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|
| 46 |
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"num_residues": 111,
|
| 47 |
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"num_cdr_residues": 31
|
| 48 |
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},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 901
|
| 53 |
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},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 1836,
|
| 56 |
+
"num_gt_atoms": 837,
|
| 57 |
+
"num_aligned_atoms": 837
|
| 58 |
+
}
|
| 59 |
+
}
|
8sdg_G_I_C_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sdg_G_I_C_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.0240007042884827,
|
| 7 |
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"cdr": 3.913050055503845,
|
| 8 |
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"framework": 1.4035232067108154,
|
| 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 |
+
"pred_coverage": 0.9778575703171754,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "G",
|
| 21 |
+
"total": 2.66306734085083,
|
| 22 |
+
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|
| 23 |
+
"framework": 1.6284714937210083,
|
| 24 |
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|
| 25 |
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|
| 26 |
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"cdr2": 3.430840492248535,
|
| 27 |
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"cdr3": 5.220637321472168,
|
| 28 |
+
"cdr1_fw_aligned": 2.559666872024536,
|
| 29 |
+
"cdr2_fw_aligned": 3.6359128952026367,
|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 28
|
| 33 |
+
},
|
| 34 |
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"light_chain": {
|
| 35 |
+
"chain_id": "I",
|
| 36 |
+
"total": 1.3849340677261353,
|
| 37 |
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"cdr": 2.104754686355591,
|
| 38 |
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"framework": 1.1785749197006226,
|
| 39 |
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"cdr_fw_aligned": 2.3281147480010986,
|
| 40 |
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"cdr1": 1.0362718105316162,
|
| 41 |
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"cdr2": 0.9045352339744568,
|
| 42 |
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"cdr3": 2.8714139461517334,
|
| 43 |
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"cdr1_fw_aligned": 1.665024757385254,
|
| 44 |
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"cdr2_fw_aligned": 1.442664623260498,
|
| 45 |
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"cdr3_fw_aligned": 3.140413284301758,
|
| 46 |
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"num_residues": 213,
|
| 47 |
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"num_cdr_residues": 29
|
| 48 |
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},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 1635
|
| 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": 1633,
|
| 57 |
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"num_aligned_atoms": 1633
|
| 58 |
+
}
|
| 59 |
+
}
|
8sgi_H_L_A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sgi_H_L_A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.128937989473343,
|
| 7 |
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"cdr": 1.447943091392517,
|
| 8 |
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"framework": 0.9777725338935852,
|
| 9 |
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|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 3381,
|
| 12 |
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"num_gt_atoms": 1757,
|
| 13 |
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"num_aligned_atoms": 1757,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.5196687370600414,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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"total": 1.304250955581665,
|
| 22 |
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"cdr": 1.877992033958435,
|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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"num_residues": 121,
|
| 32 |
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"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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"cdr3": 0.709138810634613,
|
| 43 |
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"cdr1_fw_aligned": 1.0865477323532104,
|
| 44 |
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"cdr2_fw_aligned": 1.3798543214797974,
|
| 45 |
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"cdr3_fw_aligned": 0.866740345954895,
|
| 46 |
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"num_residues": 110,
|
| 47 |
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|
| 48 |
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},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 941
|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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|
| 57 |
+
"num_aligned_atoms": 816
|
| 58 |
+
}
|
| 59 |
+
}
|
8sgi_H_L_A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
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|
|
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|
|
|
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|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8sgi_H_L_A_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"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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"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 |
+
},
|
| 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": 816
|
| 58 |
+
}
|
| 59 |
+
}
|
8sgi_H_L_A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
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|
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|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sgi_H_L_A_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
+
},
|
| 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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"cdr2_fw_aligned": 0.5078136324882507,
|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
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"total": 0.5304834842681885,
|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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"num_cdr_residues": 30
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 996,
|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 484
|
| 53 |
+
},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 808,
|
| 56 |
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"num_gt_atoms": 440,
|
| 57 |
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"num_aligned_atoms": 440
|
| 58 |
+
}
|
| 59 |
+
}
|
8sgj_H_L_A_sample_1_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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| 11 |
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| 12 |
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| 13 |
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| 14 |
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| 15 |
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| 16 |
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| 17 |
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| 18 |
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| 19 |
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| 20 |
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| 21 |
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| 22 |
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| 23 |
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| 24 |
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| 25 |
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| 27 |
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| 28 |
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| 29 |
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| 30 |
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| 31 |
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| 32 |
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|
| 33 |
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| 34 |
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|
| 35 |
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| 36 |
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| 37 |
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| 38 |
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| 40 |
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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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|
8sgj_H_L_A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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|
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|
|
| 1 |
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{
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| 2 |
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"entry": "8sgj_H_L_A_sample_2",
|
| 3 |
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"success": true,
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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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| 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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| 42 |
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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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|
8sgj_H_L_A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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|
|
|
|
|
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|
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|
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|
|
|
|
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|
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|
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|
|
| 1 |
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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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|
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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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| 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 |
+
}
|
8sic_A_B_E_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
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|
|
|
|
|
|
|
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|
|
|
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|
|
|
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|
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|
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|
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|
|
|
|
|
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|
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|
|
|
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|
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|
|
|
|
|
|
|
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|
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|
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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": "8sic_A_B_E_sample_3",
|
| 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": 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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"total": 7.288913726806641,
|
| 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": 860
|
| 58 |
+
}
|
| 59 |
+
}
|
8sit_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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|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8sit_H_L_A_sample_1",
|
| 3 |
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|
| 4 |
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|
| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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| 24 |
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|
| 25 |
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|
| 26 |
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| 27 |
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| 28 |
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|
| 29 |
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| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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| 37 |
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| 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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|
8slb_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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|
|
|
|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8slb_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 |
+
}
|
8smk_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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|
|
|
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|
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|
|
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|
|
|
|
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|
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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": "8smk_B_C_A_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
+
},
|
| 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 |
+
}
|
8smm_H_L_A_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
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|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8smm_H_L_A_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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"total": 1.318928599357605,
|
| 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": 424
|
| 58 |
+
}
|
| 59 |
+
}
|
8smp_H_L_A_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
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|
|
|
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|
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|
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|
|
| 1 |
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{
|
| 2 |
+
"entry": "8smp_H_L_A_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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|
| 5 |
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|
| 6 |
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| 7 |
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| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
+
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|
| 19 |
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"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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"cdr1_fw_aligned": 0.7319897413253784,
|
| 29 |
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"cdr2_fw_aligned": 1.149057388305664,
|
| 30 |
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"cdr3_fw_aligned": 3.9550247192382812,
|
| 31 |
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"num_residues": 124,
|
| 32 |
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"num_cdr_residues": 27
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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"total": 1.2786660194396973,
|
| 37 |
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"cdr": 1.9469832181930542,
|
| 38 |
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"framework": 0.8111007213592529,
|
| 39 |
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"cdr_fw_aligned": 2.198605537414551,
|
| 40 |
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|
| 41 |
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"cdr2": 0.40819334983825684,
|
| 42 |
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"cdr3": 1.635161280632019,
|
| 43 |
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"cdr1_fw_aligned": 2.839385747909546,
|
| 44 |
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"cdr2_fw_aligned": 0.5580276846885681,
|
| 45 |
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"cdr3_fw_aligned": 2.0989818572998047,
|
| 46 |
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"num_residues": 106,
|
| 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": 936,
|
| 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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|
| 57 |
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"num_aligned_atoms": 424
|
| 58 |
+
}
|
| 59 |
+
}
|
8sne_C__A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
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|
|
|
|
|
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|
|
|
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|
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|
|
|
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|
|
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|
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|
|
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|
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|
|
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|
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|
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|
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|
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|
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|
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|
|
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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": "8sne_C__A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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"framework": 1.0620256662368774,
|
| 9 |
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"cdr_fw_aligned": 6.148911476135254
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 528,
|
| 12 |
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"num_gt_atoms": 492,
|
| 13 |
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"num_aligned_atoms": 492,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9318181818181818,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "C",
|
| 21 |
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"total": 2.5539140701293945,
|
| 22 |
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"cdr": 3.5074899196624756,
|
| 23 |
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"framework": 1.0620256662368774,
|
| 24 |
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"cdr_fw_aligned": 6.148911476135254,
|
| 25 |
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"cdr1": 1.9621055126190186,
|
| 26 |
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"cdr2": 0.17005863785743713,
|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 2.736485481262207,
|
| 29 |
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"cdr2_fw_aligned": 1.3004440069198608,
|
| 30 |
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"cdr3_fw_aligned": 8.115957260131836,
|
| 31 |
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|
| 32 |
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"num_cdr_residues": 26
|
| 33 |
+
},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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"num_pred_atoms": 528,
|
| 36 |
+
"num_gt_atoms": 492,
|
| 37 |
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"num_aligned_atoms": 492
|
| 38 |
+
}
|
| 39 |
+
}
|
8sne_C__A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
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|
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|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sne_C__A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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"cdr": 4.032934188842773,
|
| 8 |
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"framework": 1.1238042116165161,
|
| 9 |
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"cdr_fw_aligned": 7.472378730773926
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 528,
|
| 12 |
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"num_gt_atoms": 492,
|
| 13 |
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"num_aligned_atoms": 492,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9318181818181818,
|
| 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": 3.0385475158691406,
|
| 22 |
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"cdr": 4.032934188842773,
|
| 23 |
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"framework": 1.1238042116165161,
|
| 24 |
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"cdr_fw_aligned": 7.472378730773926,
|
| 25 |
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"cdr1": 2.0356154441833496,
|
| 26 |
+
"cdr2": 0.18063677847385406,
|
| 27 |
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"cdr3": 2.1778135299682617,
|
| 28 |
+
"cdr1_fw_aligned": 2.974130868911743,
|
| 29 |
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"cdr2_fw_aligned": 1.1794686317443848,
|
| 30 |
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"cdr3_fw_aligned": 9.938638687133789,
|
| 31 |
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"num_residues": 123,
|
| 32 |
+
"num_cdr_residues": 26
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 528,
|
| 36 |
+
"num_gt_atoms": 492,
|
| 37 |
+
"num_aligned_atoms": 492
|
| 38 |
+
}
|
| 39 |
+
}
|
8so3_Y_Z_X_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8so3_Y_Z_X_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 9.418083190917969,
|
| 7 |
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"cdr": 1.8664295077323914,
|
| 8 |
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"framework": 8.840633630752563,
|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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"num_aligned_atoms": 3143,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.8405990906659535,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "Y",
|
| 21 |
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"total": 6.294561386108398,
|
| 22 |
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"cdr": 2.1623401641845703,
|
| 23 |
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|
| 24 |
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"cdr_fw_aligned": 7.342116832733154,
|
| 25 |
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"cdr1": 1.0601067543029785,
|
| 26 |
+
"cdr2": 1.0693964958190918,
|
| 27 |
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"cdr3": 2.3213295936584473,
|
| 28 |
+
"cdr1_fw_aligned": 5.747178554534912,
|
| 29 |
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"cdr2_fw_aligned": 5.141012668609619,
|
| 30 |
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"cdr3_fw_aligned": 8.926143646240234,
|
| 31 |
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"num_residues": 213,
|
| 32 |
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"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "Z",
|
| 36 |
+
"total": 12.541604995727539,
|
| 37 |
+
"cdr": 1.5705188512802124,
|
| 38 |
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"framework": 11.409224510192871,
|
| 39 |
+
"cdr_fw_aligned": 19.811084747314453,
|
| 40 |
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"cdr1": 1.7563949823379517,
|
| 41 |
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"cdr2": 1.0971935987472534,
|
| 42 |
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"cdr3": 1.0448788404464722,
|
| 43 |
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"cdr1_fw_aligned": 22.128957748413086,
|
| 44 |
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"cdr2_fw_aligned": 10.960408210754395,
|
| 45 |
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"cdr3_fw_aligned": 20.402982711791992,
|
| 46 |
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"num_residues": 216,
|
| 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": 1919,
|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 1565
|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 1820,
|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 1578
|
| 58 |
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}
|
| 59 |
+
}
|