Add files using upload-large-folder tool
Browse files- 7xic_K_L_B_sample_2_rmsd_backbone.json +59 -0
- 8qz6_B__A_sample_0_rmsd.json +39 -0
- 8r40_A_a_C_sample_4_rmsd_backbone.json +59 -0
- 8r80_H_L_R_sample_2_rmsd.json +59 -0
- 8rvn_H_L_F_sample_1_rmsd.json +59 -0
- 8sdg_G_I_C_sample_2_rmsd_backbone.json +59 -0
- 8sfx_D__B_sample_0_rmsd_backbone.json +39 -0
- 8sgi_H_L_A_sample_0_rmsd.json +59 -0
- 8sit_H_L_A_sample_2_rmsd_backbone.json +59 -0
- 8slb_H_L_A_sample_3_rmsd_backbone.json +59 -0
- 8so3_Y_Z_X_sample_0_rmsd_backbone.json +59 -0
- 8tbb_H_L_D_sample_1_rmsd_backbone.json +59 -0
- 8tg9_H_L_A_sample_2_rmsd_backbone.json +59 -0
- 8tkc_G_H_AB_sample_1_rmsd_backbone.json +59 -0
- 8tnj_D_C_A_sample_3_rmsd.json +59 -0
- 8tq9_H_L_AB_sample_2_rmsd.json +59 -0
- 8tr3_H_L_A_sample_0_rmsd_backbone.json +59 -0
- 8tv1_D_E_C_sample_3_rmsd_backbone.json +59 -0
- 8txm_H_L_AB_sample_2_rmsd_backbone.json +59 -0
- 8txp_H_L_AB_sample_0_rmsd.json +59 -0
- 8txt_H_L_EF_sample_2_rmsd_backbone.json +59 -0
- 8ty7_H_L_AB_sample_2_rmsd_backbone.json +59 -0
- 8ulj_H_L_AB_sample_0_rmsd.json +59 -0
- 8ulj_H_L_AB_sample_3_rmsd_backbone.json +59 -0
- 8uoa_B__A_sample_4_rmsd.json +39 -0
- 8vdl_H_L_C_sample_1_rmsd_backbone.json +59 -0
- 8vk1_F_E_D_sample_0_rmsd.json +59 -0
- 8vqd_C_B_A_sample_2_rmsd_backbone.json +59 -0
- 8vul_H_L_A_sample_2_rmsd.json +59 -0
- 8vuy_H_L_A_sample_2_rmsd.json +59 -0
- 8w0v_H_L_C_sample_0_rmsd_backbone.json +59 -0
- 8w9j_H_L_C_sample_1_rmsd_backbone.json +59 -0
- 8wej_H_L_B_sample_1_rmsd_backbone.json +59 -0
- 8weo_C__B_sample_2_rmsd_backbone.json +39 -0
- 8wfm_A_a_B_sample_4_rmsd.json +59 -0
- 8xi6_D_E_A_sample_2_rmsd.json +59 -0
- 8xk6_H_L_A_sample_2_rmsd_backbone.json +59 -0
- 8xs3_A_B_C_sample_0_rmsd.json +59 -0
- 8xse_H_L_A_sample_2_rmsd.json +59 -0
- 8zby_H_D_A_sample_1_rmsd.json +59 -0
- 8zc0_H_G_A_sample_3_rmsd.json +59 -0
- 8zc0_H_G_A_sample_4_rmsd_backbone.json +59 -0
- 8zc4_H_G_A_sample_1_rmsd_backbone.json +59 -0
- 8zer_H__G_sample_4_rmsd_backbone.json +39 -0
- 8zhe_H_L_A_sample_0_rmsd_backbone.json +59 -0
- 8zhg_H_L_C_sample_4_rmsd_backbone.json +59 -0
- 8zpb_B__A_sample_2_rmsd_backbone.json +39 -0
- 9bia_E__BD_sample_1_rmsd.json +39 -0
- 9bu8_C_D_AB_sample_2_rmsd_backbone.json +59 -0
- 9fve_B__A_sample_0_rmsd.json +39 -0
7xic_K_L_B_sample_2_rmsd_backbone.json
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{
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"entry": "7xic_K_L_B_sample_2",
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"success": true,
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"error": null,
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"rmsd": {
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"total": 1.3894572257995605,
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"framework": 0.4398072510957718,
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"num_gt_atoms": 948,
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"num_aligned_atoms": 948,
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"alignment_coverage": {
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"pred_coverage": 1.0,
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"gt_coverage": 1.0,
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"full_coverage": true
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"heavy_chain": {
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"chain_id": "K",
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"total": 2.3075103759765625,
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"cdr": 3.9364044666290283,
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"framework": 0.46197807788848877,
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"cdr_fw_aligned": 5.02395486831665,
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"cdr1": 0.3412797152996063,
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"cdr2": 0.2844138443470001,
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"cdr3": 3.08024001121521,
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"cdr1_fw_aligned": 0.7146751880645752,
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"cdr2_fw_aligned": 0.6785352230072021,
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"cdr3_fw_aligned": 6.494320869445801,
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"num_residues": 129,
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"num_cdr_residues": 32
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"light_chain": {
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"chain_id": "L",
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"total": 0.4714040756225586,
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"cdr": 0.5429101586341858,
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"framework": 0.4176364243030548,
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"cdr_fw_aligned": 0.6174395084381104,
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"cdr1": 0.26869136095046997,
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"cdr2": 0.24249878525733948,
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"cdr3": 0.7514395117759705,
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"cdr1_fw_aligned": 0.3801605999469757,
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"cdr2_fw_aligned": 0.3978034257888794,
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"cdr3_fw_aligned": 0.893142819404602,
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"num_residues": 108,
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"num_cdr_residues": 28
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"heavy_chain_atom_counts": {
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}
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8qz6_B__A_sample_0_rmsd.json
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{
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"entry": "8qz6_B__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": 1.5491770505905151,
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"cdr_fw_aligned": 2.7897489070892334
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"num_pred_atoms": 1016,
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"num_gt_atoms": 913,
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"num_aligned_atoms": 862,
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"alignment_coverage": {
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| 15 |
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"pred_coverage": 0.8484251968503937,
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"gt_coverage": 0.9441401971522454,
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"full_coverage": false
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"heavy_chain": {
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"chain_id": "B",
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"total": 1.5491770505905151,
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| 22 |
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"cdr": 2.3504838943481445,
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"framework": 1.078904151916504,
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"cdr_fw_aligned": 2.7897489070892334,
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"cdr1": 1.5957703590393066,
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"cdr2": 0.30735865235328674,
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"cdr3": 2.452760934829712,
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"cdr1_fw_aligned": 1.870308518409729,
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"cdr2_fw_aligned": 0.5038375854492188,
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"cdr3_fw_aligned": 3.611239433288574,
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"num_residues": 124,
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| 32 |
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"num_cdr_residues": 30
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| 33 |
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"heavy_chain_atom_counts": {
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| 37 |
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"num_aligned_atoms": 862
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}
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}
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8r40_A_a_C_sample_4_rmsd_backbone.json
ADDED
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{
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"entry": "8r40_A_a_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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"total": 16.588726043701172,
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| 15 |
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| 17 |
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| 18 |
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| 19 |
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| 47 |
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| 48 |
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"heavy_chain_atom_counts": {
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"num_gt_atoms": 968,
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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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8r80_H_L_R_sample_2_rmsd.json
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{
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"entry": "8r80_H_L_R_sample_2",
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| 3 |
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"success": true,
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| 4 |
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"error": null,
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| 5 |
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"rmsd": {
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| 6 |
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"total": 1.352264404296875,
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| 7 |
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"cdr": 2.3645296692848206,
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| 8 |
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"framework": 1.1248844861984253,
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| 9 |
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"cdr_fw_aligned": 2.6662817001342773
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| 10 |
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},
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| 11 |
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"num_pred_atoms": 3264,
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| 12 |
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"num_gt_atoms": 3268,
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| 13 |
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"num_aligned_atoms": 3206,
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| 14 |
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"alignment_coverage": {
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| 15 |
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"pred_coverage": 0.9822303921568627,
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| 16 |
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"gt_coverage": 0.9810281517747858,
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| 17 |
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"full_coverage": false
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| 18 |
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},
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| 19 |
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"heavy_chain": {
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| 20 |
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"chain_id": "H",
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| 21 |
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"total": 1.6345727443695068,
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| 22 |
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"cdr": 3.508652448654175,
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| 23 |
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"framework": 1.2090009450912476,
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"cdr_fw_aligned": 4.04390287399292,
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"cdr1": 0.6935759782791138,
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"cdr2": 0.8551074862480164,
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"cdr3": 3.8264307975769043,
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| 28 |
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"cdr1_fw_aligned": 1.630354881286621,
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| 29 |
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"cdr2_fw_aligned": 1.5510387420654297,
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| 30 |
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"cdr3_fw_aligned": 5.854437351226807,
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| 31 |
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"num_residues": 220,
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| 32 |
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"num_cdr_residues": 23
|
| 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": 1.0699560642242432,
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| 37 |
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"framework": 1.040768027305603,
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"cdr_fw_aligned": 1.2886605262756348,
|
| 40 |
+
"cdr1": 0.6297681331634521,
|
| 41 |
+
"cdr2": 0.4419662058353424,
|
| 42 |
+
"cdr3": 1.3605684041976929,
|
| 43 |
+
"cdr1_fw_aligned": 0.8813648819923401,
|
| 44 |
+
"cdr2_fw_aligned": 0.6109457612037659,
|
| 45 |
+
"cdr3_fw_aligned": 1.8841382265090942,
|
| 46 |
+
"num_residues": 214,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 1641,
|
| 51 |
+
"num_gt_atoms": 1615,
|
| 52 |
+
"num_aligned_atoms": 1590
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 1623,
|
| 56 |
+
"num_gt_atoms": 1653,
|
| 57 |
+
"num_aligned_atoms": 1616
|
| 58 |
+
}
|
| 59 |
+
}
|
8rvn_H_L_F_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8rvn_H_L_F_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
+
"total": 2.080580234527588,
|
| 7 |
+
"cdr": 2.4414173364639282,
|
| 8 |
+
"framework": 1.915061116218567,
|
| 9 |
+
"cdr_fw_aligned": 2.7893494367599487
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 3164,
|
| 12 |
+
"num_gt_atoms": 1632,
|
| 13 |
+
"num_aligned_atoms": 1578,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.49873577749683945,
|
| 16 |
+
"gt_coverage": 0.9669117647058824,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.5682454109191895,
|
| 22 |
+
"cdr": 2.296421527862549,
|
| 23 |
+
"framework": 1.3016765117645264,
|
| 24 |
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"cdr_fw_aligned": 2.642047166824341,
|
| 25 |
+
"cdr1": 0.9467782378196716,
|
| 26 |
+
"cdr2": 1.1225823163986206,
|
| 27 |
+
"cdr3": 2.909329891204834,
|
| 28 |
+
"cdr1_fw_aligned": 1.6131858825683594,
|
| 29 |
+
"cdr2_fw_aligned": 1.3618416786193848,
|
| 30 |
+
"cdr3_fw_aligned": 3.436978340148926,
|
| 31 |
+
"num_residues": 117,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 2.5929150581359863,
|
| 37 |
+
"cdr": 2.5864131450653076,
|
| 38 |
+
"framework": 2.5284457206726074,
|
| 39 |
+
"cdr_fw_aligned": 2.9366517066955566,
|
| 40 |
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"cdr1": 1.3872056007385254,
|
| 41 |
+
"cdr2": 0.4809570908546448,
|
| 42 |
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"cdr3": 3.74881911277771,
|
| 43 |
+
"cdr1_fw_aligned": 2.3649463653564453,
|
| 44 |
+
"cdr2_fw_aligned": 0.8169984221458435,
|
| 45 |
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"cdr3_fw_aligned": 4.106815814971924,
|
| 46 |
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"num_residues": 104,
|
| 47 |
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"num_cdr_residues": 28
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 1595,
|
| 51 |
+
"num_gt_atoms": 864,
|
| 52 |
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"num_aligned_atoms": 839
|
| 53 |
+
},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 1569,
|
| 56 |
+
"num_gt_atoms": 768,
|
| 57 |
+
"num_aligned_atoms": 739
|
| 58 |
+
}
|
| 59 |
+
}
|
8sdg_G_I_C_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sdg_G_I_C_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
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"total": 2.3260385990142822,
|
| 7 |
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"cdr": 2.935649275779724,
|
| 8 |
+
"framework": 1.9176645278930664,
|
| 9 |
+
"cdr_fw_aligned": 4.438305377960205
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 1764,
|
| 12 |
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"num_gt_atoms": 1728,
|
| 13 |
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"num_aligned_atoms": 1728,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9795918367346939,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "G",
|
| 21 |
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"total": 2.5739965438842773,
|
| 22 |
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"cdr": 4.331899642944336,
|
| 23 |
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"framework": 2.077367067337036,
|
| 24 |
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"cdr_fw_aligned": 4.854172706604004,
|
| 25 |
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|
| 26 |
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"cdr2": 0.977168619632721,
|
| 27 |
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"cdr3": 3.2703452110290527,
|
| 28 |
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|
| 29 |
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|
| 30 |
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"cdr3_fw_aligned": 6.454196929931641,
|
| 31 |
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"num_residues": 219,
|
| 32 |
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"num_cdr_residues": 28
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "I",
|
| 36 |
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"total": 2.078080654144287,
|
| 37 |
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"cdr": 1.5393989086151123,
|
| 38 |
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"framework": 1.7579619884490967,
|
| 39 |
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"cdr_fw_aligned": 4.022438049316406,
|
| 40 |
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|
| 41 |
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|
| 42 |
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"cdr3": 2.0968093872070312,
|
| 43 |
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"cdr1_fw_aligned": 3.3547298908233643,
|
| 44 |
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"cdr2_fw_aligned": 2.6076419353485107,
|
| 45 |
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"cdr3_fw_aligned": 5.203378200531006,
|
| 46 |
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|
| 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": 876
|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 852,
|
| 57 |
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"num_aligned_atoms": 852
|
| 58 |
+
}
|
| 59 |
+
}
|
8sfx_D__B_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sfx_D__B_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
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"total": 0.7223901748657227,
|
| 7 |
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"cdr": 0.5650525689125061,
|
| 8 |
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"framework": 0.6890121698379517,
|
| 9 |
+
"cdr_fw_aligned": 0.9955715537071228
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 568,
|
| 12 |
+
"num_gt_atoms": 480,
|
| 13 |
+
"num_aligned_atoms": 480,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.8450704225352113,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "D",
|
| 21 |
+
"total": 0.7223901748657227,
|
| 22 |
+
"cdr": 0.5650525689125061,
|
| 23 |
+
"framework": 0.6890121698379517,
|
| 24 |
+
"cdr_fw_aligned": 0.9955715537071228,
|
| 25 |
+
"cdr1": 0.2575942277908325,
|
| 26 |
+
"cdr2": 0.17757903039455414,
|
| 27 |
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"cdr3": 0.411508172750473,
|
| 28 |
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"cdr1_fw_aligned": 0.777362585067749,
|
| 29 |
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"cdr2_fw_aligned": 1.355413556098938,
|
| 30 |
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|
| 31 |
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"num_residues": 120,
|
| 32 |
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"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 568,
|
| 36 |
+
"num_gt_atoms": 480,
|
| 37 |
+
"num_aligned_atoms": 480
|
| 38 |
+
}
|
| 39 |
+
}
|
8sgi_H_L_A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
|
|
|
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|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sgi_H_L_A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.022207885980606,
|
| 7 |
+
"cdr": 1.2571731507778168,
|
| 8 |
+
"framework": 0.9011002779006958,
|
| 9 |
+
"cdr_fw_aligned": 1.4477098286151886
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 3318,
|
| 12 |
+
"num_gt_atoms": 1757,
|
| 13 |
+
"num_aligned_atoms": 1668,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.5027124773960217,
|
| 16 |
+
"gt_coverage": 0.9493454752418896,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.2306630611419678,
|
| 22 |
+
"cdr": 1.7723572254180908,
|
| 23 |
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"framework": 0.9895141124725342,
|
| 24 |
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"cdr_fw_aligned": 2.0497891902923584,
|
| 25 |
+
"cdr1": 0.7811395525932312,
|
| 26 |
+
"cdr2": 0.9076704978942871,
|
| 27 |
+
"cdr3": 2.2361061573028564,
|
| 28 |
+
"cdr1_fw_aligned": 0.9352371096611023,
|
| 29 |
+
"cdr2_fw_aligned": 1.0158475637435913,
|
| 30 |
+
"cdr3_fw_aligned": 2.8292219638824463,
|
| 31 |
+
"num_residues": 121,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 0.8137527108192444,
|
| 37 |
+
"cdr": 0.7419890761375427,
|
| 38 |
+
"framework": 0.8126864433288574,
|
| 39 |
+
"cdr_fw_aligned": 0.8456304669380188,
|
| 40 |
+
"cdr1": 0.8482794761657715,
|
| 41 |
+
"cdr2": 0.5581613183021545,
|
| 42 |
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"cdr3": 0.45317694544792175,
|
| 43 |
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"cdr1_fw_aligned": 1.0281752347946167,
|
| 44 |
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"cdr2_fw_aligned": 0.6542913317680359,
|
| 45 |
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"cdr3_fw_aligned": 0.6890853047370911,
|
| 46 |
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"num_residues": 110,
|
| 47 |
+
"num_cdr_residues": 30
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 1816,
|
| 51 |
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"num_gt_atoms": 941,
|
| 52 |
+
"num_aligned_atoms": 891
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 1502,
|
| 56 |
+
"num_gt_atoms": 816,
|
| 57 |
+
"num_aligned_atoms": 777
|
| 58 |
+
}
|
| 59 |
+
}
|
8sit_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 |
+
{
|
| 2 |
+
"entry": "8sit_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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"full_coverage": false
|
| 18 |
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|
| 19 |
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|
| 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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"cdr_fw_aligned": 9.596403121948242,
|
| 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 |
+
}
|
8slb_H_L_A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
|
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|
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|
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|
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|
|
|
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|
|
|
|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8slb_H_L_A_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 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 |
+
}
|
8so3_Y_Z_X_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
|
|
|
|
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|
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|
|
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|
|
|
|
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|
|
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|
|
|
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|
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|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8so3_Y_Z_X_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
+
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "Y",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
+
"light_chain": {
|
| 35 |
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"chain_id": "Z",
|
| 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": 863
|
| 58 |
+
}
|
| 59 |
+
}
|
8tbb_H_L_D_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": "8tbb_H_L_D_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.0650171339511871,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9840909090909091,
|
| 16 |
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|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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"total": 1.2454673051834106,
|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 1.296925663948059,
|
| 29 |
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"cdr2_fw_aligned": 1.5670748949050903,
|
| 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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"chain_id": "L",
|
| 36 |
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"total": 0.8845669627189636,
|
| 37 |
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|
| 38 |
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"framework": 0.8429608941078186,
|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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"cdr3": 0.2240649312734604,
|
| 43 |
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|
| 44 |
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"cdr2_fw_aligned": 0.6386567950248718,
|
| 45 |
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|
| 46 |
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|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 856
|
| 58 |
+
}
|
| 59 |
+
}
|
8tg9_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 |
+
{
|
| 2 |
+
"entry": "8tg9_H_L_A_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
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| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 2.524751901626587,
|
| 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 |
+
"chain_id": "L",
|
| 36 |
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|
| 37 |
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|
| 38 |
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"framework": 1.2113932371139526,
|
| 39 |
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"cdr_fw_aligned": 1.5238233804702759,
|
| 40 |
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|
| 41 |
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|
| 42 |
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"cdr3": 0.2809053957462311,
|
| 43 |
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|
| 44 |
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"cdr2_fw_aligned": 2.1318345069885254,
|
| 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": 852
|
| 58 |
+
}
|
| 59 |
+
}
|
8tkc_G_H_AB_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8tkc_G_H_AB_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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"pred_coverage": 0.5198237885462555,
|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "G",
|
| 21 |
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"total": 3.279134750366211,
|
| 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": 33
|
| 33 |
+
},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "H",
|
| 36 |
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"total": 0.5964293479919434,
|
| 37 |
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|
| 38 |
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"framework": 0.4767712354660034,
|
| 39 |
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"cdr_fw_aligned": 0.9246626496315002,
|
| 40 |
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|
| 41 |
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"cdr2": 0.304095059633255,
|
| 42 |
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"cdr3": 0.3662716746330261,
|
| 43 |
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|
| 44 |
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"cdr2_fw_aligned": 0.6391451954841614,
|
| 45 |
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"cdr3_fw_aligned": 1.1972262859344482,
|
| 46 |
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|
| 47 |
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|
| 48 |
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},
|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 516
|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 428,
|
| 57 |
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"num_aligned_atoms": 428
|
| 58 |
+
}
|
| 59 |
+
}
|
8tnj_D_C_A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tnj_D_C_A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.2205005884170532,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "D",
|
| 21 |
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"total": 1.1963732242584229,
|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "C",
|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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"num_residues": 212,
|
| 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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"num_gt_atoms": 1616,
|
| 57 |
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"num_aligned_atoms": 1568
|
| 58 |
+
}
|
| 59 |
+
}
|
8tq9_H_L_AB_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
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|
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|
|
|
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|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tq9_H_L_AB_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 3.4871506690979004,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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"total": 3.5983877182006836,
|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
+
},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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|
| 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": 1592
|
| 58 |
+
}
|
| 59 |
+
}
|
8tr3_H_L_A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
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|
|
|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tr3_H_L_A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.3996339440345764,
|
| 7 |
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"cdr": 2.174328625202179,
|
| 8 |
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"framework": 0.8361339271068573,
|
| 9 |
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"cdr_fw_aligned": 2.4661237597465515
|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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"num_aligned_atoms": 928,
|
| 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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"chain_id": "H",
|
| 21 |
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"total": 1.5290000438690186,
|
| 22 |
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|
| 23 |
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"framework": 0.6116090416908264,
|
| 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": 0.7432880401611328,
|
| 29 |
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"cdr2_fw_aligned": 0.6214678883552551,
|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 28
|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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"total": 1.2702678442001343,
|
| 37 |
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|
| 38 |
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|
| 39 |
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"cdr_fw_aligned": 1.831865668296814,
|
| 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": 432
|
| 58 |
+
}
|
| 59 |
+
}
|
8tv1_D_E_C_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
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|
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|
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|
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|
|
|
|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8tv1_D_E_C_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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"framework": 1.1087357997894287,
|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "D",
|
| 21 |
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|
| 22 |
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|
| 23 |
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"framework": 1.2705426216125488,
|
| 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": 2.7737913131713867,
|
| 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": "E",
|
| 36 |
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|
| 37 |
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|
| 38 |
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"framework": 0.9469289779663086,
|
| 39 |
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"cdr_fw_aligned": 1.4348771572113037,
|
| 40 |
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|
| 41 |
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|
| 42 |
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"cdr3": 0.9240451455116272,
|
| 43 |
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|
| 44 |
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"cdr2_fw_aligned": 0.9540372490882874,
|
| 45 |
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"cdr3_fw_aligned": 1.3192778825759888,
|
| 46 |
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|
| 47 |
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|
| 48 |
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},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 920
|
| 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": 840,
|
| 57 |
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"num_aligned_atoms": 840
|
| 58 |
+
}
|
| 59 |
+
}
|
8txm_H_L_AB_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8txm_H_L_AB_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.127585917711258,
|
| 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": 1760,
|
| 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 |
+
"chain_id": "H",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
+
"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": 856
|
| 58 |
+
}
|
| 59 |
+
}
|
8txp_H_L_AB_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8txp_H_L_AB_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": 3.3622286319732666,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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},
|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 1602
|
| 58 |
+
}
|
| 59 |
+
}
|
8txt_H_L_EF_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
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|
|
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|
|
|
|
|
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|
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|
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|
|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8txt_H_L_EF_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 4.686372995376587,
|
| 7 |
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"cdr": 1.6518883407115936,
|
| 8 |
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"framework": 4.3899219036102295,
|
| 9 |
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"cdr_fw_aligned": 7.233943462371826
|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9931662870159453,
|
| 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": 4.952126502990723,
|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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"cdr1": 2.544065475463867,
|
| 26 |
+
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|
| 27 |
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"cdr3": 1.920016884803772,
|
| 28 |
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"cdr1_fw_aligned": 8.55514144897461,
|
| 29 |
+
"cdr2_fw_aligned": 9.189364433288574,
|
| 30 |
+
"cdr3_fw_aligned": 4.880233287811279,
|
| 31 |
+
"num_residues": 223,
|
| 32 |
+
"num_cdr_residues": 27
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 4.420619487762451,
|
| 37 |
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"cdr": 0.6951441168785095,
|
| 38 |
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"framework": 4.064098834991455,
|
| 39 |
+
"cdr_fw_aligned": 7.390453338623047,
|
| 40 |
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"cdr1": 0.681794285774231,
|
| 41 |
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"cdr2": 0.347652792930603,
|
| 42 |
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"cdr3": 0.8368740677833557,
|
| 43 |
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"cdr1_fw_aligned": 8.424840927124023,
|
| 44 |
+
"cdr2_fw_aligned": 5.797308921813965,
|
| 45 |
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"cdr3_fw_aligned": 7.13902473449707,
|
| 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": 900,
|
| 51 |
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"num_gt_atoms": 892,
|
| 52 |
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"num_aligned_atoms": 892
|
| 53 |
+
},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 852,
|
| 57 |
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"num_aligned_atoms": 852
|
| 58 |
+
}
|
| 59 |
+
}
|
8ty7_H_L_AB_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8ty7_H_L_AB_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
+
"total": 1.931982398033142,
|
| 7 |
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"cdr": 2.0495527386665344,
|
| 8 |
+
"framework": 1.5782407522201538,
|
| 9 |
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"cdr_fw_aligned": 3.741825222969055
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 1756,
|
| 12 |
+
"num_gt_atoms": 1724,
|
| 13 |
+
"num_aligned_atoms": 1724,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9817767653758542,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 2.098764419555664,
|
| 22 |
+
"cdr": 3.5223476886749268,
|
| 23 |
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"framework": 1.5059620141983032,
|
| 24 |
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"cdr_fw_aligned": 4.662001609802246,
|
| 25 |
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"cdr1": 1.5496705770492554,
|
| 26 |
+
"cdr2": 0.9703012108802795,
|
| 27 |
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"cdr3": 2.3628933429718018,
|
| 28 |
+
"cdr1_fw_aligned": 4.1893534660339355,
|
| 29 |
+
"cdr2_fw_aligned": 4.84974479675293,
|
| 30 |
+
"cdr3_fw_aligned": 4.7395243644714355,
|
| 31 |
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"num_residues": 218,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 1.7652003765106201,
|
| 37 |
+
"cdr": 0.5767577886581421,
|
| 38 |
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"framework": 1.6505194902420044,
|
| 39 |
+
"cdr_fw_aligned": 2.8216488361358643,
|
| 40 |
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"cdr1": 0.2920987010002136,
|
| 41 |
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"cdr2": 0.9003643989562988,
|
| 42 |
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"cdr3": 0.29135167598724365,
|
| 43 |
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"cdr1_fw_aligned": 3.128521203994751,
|
| 44 |
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"cdr2_fw_aligned": 2.3060381412506104,
|
| 45 |
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"cdr3_fw_aligned": 2.793531656265259,
|
| 46 |
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"num_residues": 213,
|
| 47 |
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"num_cdr_residues": 28
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 900,
|
| 51 |
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"num_gt_atoms": 872,
|
| 52 |
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"num_aligned_atoms": 872
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 856,
|
| 56 |
+
"num_gt_atoms": 852,
|
| 57 |
+
"num_aligned_atoms": 852
|
| 58 |
+
}
|
| 59 |
+
}
|
8ulj_H_L_AB_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
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|
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|
|
|
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|
|
|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8ulj_H_L_AB_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
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"total": 2.468906283378601,
|
| 7 |
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"cdr": 0.6776170134544373,
|
| 8 |
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"framework": 2.5452537536621094,
|
| 9 |
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"cdr_fw_aligned": 1.8168585896492004
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 3398,
|
| 12 |
+
"num_gt_atoms": 3131,
|
| 13 |
+
"num_aligned_atoms": 3046,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.8964096527369041,
|
| 16 |
+
"gt_coverage": 0.9728521239220697,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
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"total": 2.7458853721618652,
|
| 22 |
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"cdr": 0.8258526921272278,
|
| 23 |
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"framework": 2.804716110229492,
|
| 24 |
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"cdr_fw_aligned": 2.334852933883667,
|
| 25 |
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"cdr1": 0.8110768795013428,
|
| 26 |
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"cdr2": 0.27828073501586914,
|
| 27 |
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"cdr3": 0.8216473460197449,
|
| 28 |
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"cdr1_fw_aligned": 2.453453779220581,
|
| 29 |
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"cdr2_fw_aligned": 1.888140082359314,
|
| 30 |
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"cdr3_fw_aligned": 2.462141275405884,
|
| 31 |
+
"num_residues": 217,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
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"total": 2.191927194595337,
|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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"cdr2": 0.4019972085952759,
|
| 42 |
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"cdr3": 0.4181578457355499,
|
| 43 |
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"cdr1_fw_aligned": 1.2638001441955566,
|
| 44 |
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"cdr2_fw_aligned": 1.187222957611084,
|
| 45 |
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"cdr3_fw_aligned": 1.4050204753875732,
|
| 46 |
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"num_residues": 209,
|
| 47 |
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"num_cdr_residues": 29
|
| 48 |
+
},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 1514,
|
| 57 |
+
"num_aligned_atoms": 1466
|
| 58 |
+
}
|
| 59 |
+
}
|
8ulj_H_L_AB_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": "8ulj_H_L_AB_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.8286001682281494,
|
| 7 |
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"cdr": 0.7435211539268494,
|
| 8 |
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"framework": 1.8707842230796814,
|
| 9 |
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|
| 10 |
+
},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9342105263157895,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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"total": 2.1268818378448486,
|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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"cdr3_fw_aligned": 2.111945867538452,
|
| 31 |
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"num_residues": 217,
|
| 32 |
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"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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"total": 1.5303184986114502,
|
| 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 |
+
"num_aligned_atoms": 836
|
| 58 |
+
}
|
| 59 |
+
}
|
8uoa_B__A_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8uoa_B__A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.9928120374679565,
|
| 7 |
+
"cdr": 2.6414847373962402,
|
| 8 |
+
"framework": 1.6324379444122314,
|
| 9 |
+
"cdr_fw_aligned": 3.1370937824249268
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1051,
|
| 12 |
+
"num_gt_atoms": 587,
|
| 13 |
+
"num_aligned_atoms": 587,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.5585156993339676,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
+
"total": 1.9928120374679565,
|
| 22 |
+
"cdr": 2.6414847373962402,
|
| 23 |
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"framework": 1.6324379444122314,
|
| 24 |
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"cdr_fw_aligned": 3.1370937824249268,
|
| 25 |
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"cdr1": 2.8112478256225586,
|
| 26 |
+
"cdr2": 1.8437496423721313,
|
| 27 |
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"cdr3": 1.480698823928833,
|
| 28 |
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"cdr1_fw_aligned": 4.603185176849365,
|
| 29 |
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"cdr2_fw_aligned": 2.4953861236572266,
|
| 30 |
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"cdr3_fw_aligned": 2.090369462966919,
|
| 31 |
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"num_residues": 119,
|
| 32 |
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"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 1051,
|
| 36 |
+
"num_gt_atoms": 587,
|
| 37 |
+
"num_aligned_atoms": 587
|
| 38 |
+
}
|
| 39 |
+
}
|
8vdl_H_L_C_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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| 3 |
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| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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| 10 |
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| 11 |
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| 12 |
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| 13 |
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| 14 |
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|
| 15 |
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| 16 |
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| 17 |
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| 18 |
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| 19 |
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|
| 20 |
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| 21 |
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| 22 |
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| 23 |
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| 24 |
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| 25 |
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| 26 |
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| 27 |
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| 28 |
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| 29 |
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| 30 |
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| 31 |
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| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 41 |
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| 42 |
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| 43 |
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| 44 |
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| 45 |
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| 46 |
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| 47 |
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| 48 |
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| 49 |
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| 50 |
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| 51 |
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| 52 |
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| 53 |
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| 54 |
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| 55 |
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| 56 |
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| 57 |
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| 58 |
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|
| 59 |
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|
8vk1_F_E_D_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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|
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|
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|
| 1 |
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{
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| 2 |
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"entry": "8vk1_F_E_D_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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| 15 |
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| 16 |
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| 17 |
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|
| 18 |
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|
| 19 |
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| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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| 24 |
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| 25 |
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| 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 |
+
}
|
8vqd_C_B_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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|
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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": "8vqd_C_B_A_sample_2",
|
| 3 |
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|
| 4 |
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|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 428
|
| 58 |
+
}
|
| 59 |
+
}
|
8vul_H_L_A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
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|
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|
|
|
|
|
|
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|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8vul_H_L_A_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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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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|
| 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": 745
|
| 58 |
+
}
|
| 59 |
+
}
|
8vuy_H_L_A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
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|
|
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|
|
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|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
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|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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|
| 3 |
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|
| 4 |
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|
| 5 |
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|
| 6 |
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| 7 |
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|
| 8 |
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| 9 |
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|
| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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| 14 |
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|
| 15 |
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| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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| 28 |
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|
| 29 |
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| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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| 41 |
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| 42 |
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| 43 |
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| 44 |
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| 45 |
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| 46 |
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| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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| 51 |
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| 52 |
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| 53 |
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| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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}
|
| 59 |
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}
|
8w0v_H_L_C_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": "8w0v_H_L_C_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 852
|
| 58 |
+
}
|
| 59 |
+
}
|
8w9j_H_L_C_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
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|
|
|
|
|
|
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|
|
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|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8w9j_H_L_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 |
+
"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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},
|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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"num_gt_atoms": 864,
|
| 57 |
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"num_aligned_atoms": 864
|
| 58 |
+
}
|
| 59 |
+
}
|
8wej_H_L_B_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
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|
|
|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8wej_H_L_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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"total": 0.7281538248062134,
|
| 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 |
+
},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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"total": 0.5530009865760803,
|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
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},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 428
|
| 58 |
+
}
|
| 59 |
+
}
|
8weo_C__B_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
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|
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|
|
|
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|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8weo_C__B_sample_2",
|
| 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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"num_aligned_atoms": 504,
|
| 14 |
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|
| 15 |
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|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": true
|
| 18 |
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},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "C",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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"cdr_fw_aligned": 1.5089056491851807,
|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 0.646891713142395,
|
| 29 |
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"cdr2_fw_aligned": 1.1063374280929565,
|
| 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": 504,
|
| 37 |
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"num_aligned_atoms": 504
|
| 38 |
+
}
|
| 39 |
+
}
|
8wfm_A_a_B_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
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|
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|
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|
|
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|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8wfm_A_a_B_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.3755890130996704,
|
| 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": "A",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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"cdr3_fw_aligned": 2.6320385932922363,
|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "A",
|
| 36 |
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|
| 37 |
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|
| 38 |
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"framework": 1.411573886871338,
|
| 39 |
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"cdr_fw_aligned": 1.1003620624542236,
|
| 40 |
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"cdr1": 0.421004056930542,
|
| 41 |
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"cdr2": 0.6168580651283264,
|
| 42 |
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"cdr3": 0.8820245862007141,
|
| 43 |
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"cdr1_fw_aligned": 0.8524130582809448,
|
| 44 |
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"cdr2_fw_aligned": 0.8468325734138489,
|
| 45 |
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"cdr3_fw_aligned": 1.4173791408538818,
|
| 46 |
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|
| 47 |
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"num_cdr_residues": 32
|
| 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": 1640
|
| 58 |
+
}
|
| 59 |
+
}
|
8xi6_D_E_A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8xi6_D_E_A_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.426688313484192,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.48481129180730287,
|
| 16 |
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"gt_coverage": 0.9449760765550239,
|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "D",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 701
|
| 58 |
+
}
|
| 59 |
+
}
|
8xk6_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": "8xk6_H_L_A_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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},
|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 444
|
| 58 |
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}
|
| 59 |
+
}
|
8xs3_A_B_C_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
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|
|
|
|
|
|
|
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|
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|
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|
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|
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|
|
|
|
|
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|
|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8xs3_A_B_C_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": 3.539117693901062,
|
| 7 |
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"cdr": 2.6934054493904114,
|
| 8 |
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"framework": 3.3218780755996704,
|
| 9 |
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"cdr_fw_aligned": 5.588448524475098
|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9575045207956601,
|
| 16 |
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"gt_coverage": 0.9724517906336089,
|
| 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": 4.121391296386719,
|
| 22 |
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"cdr": 4.0557074546813965,
|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 6.4771904945373535,
|
| 29 |
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"cdr2_fw_aligned": 6.10114049911499,
|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 24
|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "B",
|
| 36 |
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|
| 37 |
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|
| 38 |
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"framework": 2.768822431564331,
|
| 39 |
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"cdr_fw_aligned": 4.885326862335205,
|
| 40 |
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"cdr1": 1.0490939617156982,
|
| 41 |
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"cdr2": 0.5743042826652527,
|
| 42 |
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"cdr3": 1.4167317152023315,
|
| 43 |
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"cdr1_fw_aligned": 5.020023345947266,
|
| 44 |
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"cdr2_fw_aligned": 4.230517387390137,
|
| 45 |
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"cdr3_fw_aligned": 5.084761142730713,
|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 1553
|
| 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": 1680,
|
| 57 |
+
"num_aligned_atoms": 1624
|
| 58 |
+
}
|
| 59 |
+
}
|
8xse_H_L_A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
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|
|
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|
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|
|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8xse_H_L_A_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 3.1179111003875732,
|
| 7 |
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|
| 8 |
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"framework": 3.0074856281280518,
|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9791411042944785,
|
| 16 |
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"gt_coverage": 0.9764453961456103,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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"total": 3.712834119796753,
|
| 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": 5.213968753814697,
|
| 30 |
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"cdr3_fw_aligned": 3.0261573791503906,
|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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|
| 37 |
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|
| 38 |
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"framework": 2.3639039993286133,
|
| 39 |
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"cdr_fw_aligned": 4.135738849639893,
|
| 40 |
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|
| 41 |
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"cdr2": 0.9074260592460632,
|
| 42 |
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"cdr3": 0.9491349458694458,
|
| 43 |
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"cdr1_fw_aligned": 4.118101596832275,
|
| 44 |
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"cdr2_fw_aligned": 3.20072340965271,
|
| 45 |
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"cdr3_fw_aligned": 4.656332492828369,
|
| 46 |
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"num_residues": 212,
|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
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},
|
| 49 |
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|
| 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": 1583
|
| 58 |
+
}
|
| 59 |
+
}
|
8zby_H_D_A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
|
|
|
|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8zby_H_D_A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 4.444506406784058,
|
| 7 |
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|
| 8 |
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"framework": 4.234433054924011,
|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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"gt_coverage": 0.9649446494464945,
|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "D",
|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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},
|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 1538
|
| 58 |
+
}
|
| 59 |
+
}
|
8zc0_H_G_A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
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|
|
|
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|
|
|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8zc0_H_G_A_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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|
| 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 |
+
}
|
8zc0_H_G_A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8zc0_H_G_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": 4.407746434211731,
|
| 7 |
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"cdr": 1.8534241318702698,
|
| 8 |
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"framework": 4.259258270263672,
|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9580573951434879,
|
| 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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"cdr1_fw_aligned": 8.59482192993164,
|
| 29 |
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"cdr2_fw_aligned": 8.705212593078613,
|
| 30 |
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|
| 31 |
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"num_residues": 221,
|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "G",
|
| 36 |
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"total": 3.646127939224243,
|
| 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": 5.26799201965332,
|
| 45 |
+
"cdr3_fw_aligned": 1.944701910018921,
|
| 46 |
+
"num_residues": 213,
|
| 47 |
+
"num_cdr_residues": 31
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 920,
|
| 51 |
+
"num_gt_atoms": 884,
|
| 52 |
+
"num_aligned_atoms": 884
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 892,
|
| 56 |
+
"num_gt_atoms": 852,
|
| 57 |
+
"num_aligned_atoms": 852
|
| 58 |
+
}
|
| 59 |
+
}
|
8zc4_H_G_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8zc4_H_G_A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 3.737135887145996,
|
| 7 |
+
"cdr": 3.3156763315200806,
|
| 8 |
+
"framework": 3.2809860706329346,
|
| 9 |
+
"cdr_fw_aligned": 5.629390001296997
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1812,
|
| 12 |
+
"num_gt_atoms": 1736,
|
| 13 |
+
"num_aligned_atoms": 1736,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9580573951434879,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 3.7223057746887207,
|
| 22 |
+
"cdr": 5.251384258270264,
|
| 23 |
+
"framework": 2.704653024673462,
|
| 24 |
+
"cdr_fw_aligned": 8.031067848205566,
|
| 25 |
+
"cdr1": 0.6963573098182678,
|
| 26 |
+
"cdr2": 1.3711469173431396,
|
| 27 |
+
"cdr3": 3.4038000106811523,
|
| 28 |
+
"cdr1_fw_aligned": 4.478487491607666,
|
| 29 |
+
"cdr2_fw_aligned": 4.301863193511963,
|
| 30 |
+
"cdr3_fw_aligned": 9.854523658752441,
|
| 31 |
+
"num_residues": 221,
|
| 32 |
+
"num_cdr_residues": 31
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "G",
|
| 36 |
+
"total": 3.7519659996032715,
|
| 37 |
+
"cdr": 1.3799684047698975,
|
| 38 |
+
"framework": 3.8573191165924072,
|
| 39 |
+
"cdr_fw_aligned": 3.2277121543884277,
|
| 40 |
+
"cdr1": 1.465421199798584,
|
| 41 |
+
"cdr2": 0.8971830606460571,
|
| 42 |
+
"cdr3": 0.7689240574836731,
|
| 43 |
+
"cdr1_fw_aligned": 3.028836727142334,
|
| 44 |
+
"cdr2_fw_aligned": 4.86920690536499,
|
| 45 |
+
"cdr3_fw_aligned": 1.8522799015045166,
|
| 46 |
+
"num_residues": 213,
|
| 47 |
+
"num_cdr_residues": 31
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 920,
|
| 51 |
+
"num_gt_atoms": 884,
|
| 52 |
+
"num_aligned_atoms": 884
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 892,
|
| 56 |
+
"num_gt_atoms": 852,
|
| 57 |
+
"num_aligned_atoms": 852
|
| 58 |
+
}
|
| 59 |
+
}
|
8zer_H__G_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8zer_H__G_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 2.5096020698547363,
|
| 7 |
+
"cdr": 2.9958622455596924,
|
| 8 |
+
"framework": 0.777588963508606,
|
| 9 |
+
"cdr_fw_aligned": 6.543752193450928
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 584,
|
| 12 |
+
"num_gt_atoms": 492,
|
| 13 |
+
"num_aligned_atoms": 492,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.8424657534246576,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 2.5096020698547363,
|
| 22 |
+
"cdr": 2.9958622455596924,
|
| 23 |
+
"framework": 0.777588963508606,
|
| 24 |
+
"cdr_fw_aligned": 6.543752193450928,
|
| 25 |
+
"cdr1": 2.206516981124878,
|
| 26 |
+
"cdr2": 0.16348609328269958,
|
| 27 |
+
"cdr3": 1.8189631700515747,
|
| 28 |
+
"cdr1_fw_aligned": 5.276020526885986,
|
| 29 |
+
"cdr2_fw_aligned": 0.6278843283653259,
|
| 30 |
+
"cdr3_fw_aligned": 8.197993278503418,
|
| 31 |
+
"num_residues": 123,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 584,
|
| 36 |
+
"num_gt_atoms": 492,
|
| 37 |
+
"num_aligned_atoms": 492
|
| 38 |
+
}
|
| 39 |
+
}
|
8zhe_H_L_A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
|
|
|
|
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|
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|
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|
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|
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|
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|
|
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|
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|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8zhe_H_L_A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 4.082489848136902,
|
| 7 |
+
"cdr": 1.3616009950637817,
|
| 8 |
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"framework": 3.980510115623474,
|
| 9 |
+
"cdr_fw_aligned": 5.192262649536133
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1932,
|
| 12 |
+
"num_gt_atoms": 1740,
|
| 13 |
+
"num_aligned_atoms": 1740,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9006211180124224,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 3.5058581829071045,
|
| 22 |
+
"cdr": 1.6007678508758545,
|
| 23 |
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"framework": 3.3408639430999756,
|
| 24 |
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"cdr_fw_aligned": 5.062153339385986,
|
| 25 |
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"cdr1": 0.6582269072532654,
|
| 26 |
+
"cdr2": 0.3578293025493622,
|
| 27 |
+
"cdr3": 1.7034449577331543,
|
| 28 |
+
"cdr1_fw_aligned": 4.906366348266602,
|
| 29 |
+
"cdr2_fw_aligned": 4.2931294441223145,
|
| 30 |
+
"cdr3_fw_aligned": 5.526141166687012,
|
| 31 |
+
"num_residues": 221,
|
| 32 |
+
"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 4.659121513366699,
|
| 37 |
+
"cdr": 1.122434139251709,
|
| 38 |
+
"framework": 4.620156288146973,
|
| 39 |
+
"cdr_fw_aligned": 5.322371959686279,
|
| 40 |
+
"cdr1": 0.9015637040138245,
|
| 41 |
+
"cdr2": 0.7341005206108093,
|
| 42 |
+
"cdr3": 0.9136514663696289,
|
| 43 |
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"cdr1_fw_aligned": 5.790289402008057,
|
| 44 |
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"cdr2_fw_aligned": 4.9594244956970215,
|
| 45 |
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"cdr3_fw_aligned": 4.870234966278076,
|
| 46 |
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"num_residues": 214,
|
| 47 |
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"num_cdr_residues": 29
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 884
|
| 53 |
+
},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 856,
|
| 57 |
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"num_aligned_atoms": 856
|
| 58 |
+
}
|
| 59 |
+
}
|
8zhg_H_L_C_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
|
|
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|
|
|
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|
|
|
|
|
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|
|
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|
|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8zhg_H_L_C_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.2603192925453186,
|
| 7 |
+
"cdr": 1.177778720855713,
|
| 8 |
+
"framework": 1.2371498942375183,
|
| 9 |
+
"cdr_fw_aligned": 1.4121889472007751
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1060,
|
| 12 |
+
"num_gt_atoms": 916,
|
| 13 |
+
"num_aligned_atoms": 916,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.8641509433962264,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.1575348377227783,
|
| 22 |
+
"cdr": 1.1970040798187256,
|
| 23 |
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"framework": 1.1045347452163696,
|
| 24 |
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"cdr_fw_aligned": 1.4024807214736938,
|
| 25 |
+
"cdr1": 0.6292778849601746,
|
| 26 |
+
"cdr2": 0.38797760009765625,
|
| 27 |
+
"cdr3": 1.2821320295333862,
|
| 28 |
+
"cdr1_fw_aligned": 1.3187085390090942,
|
| 29 |
+
"cdr2_fw_aligned": 0.48458677530288696,
|
| 30 |
+
"cdr3_fw_aligned": 1.7483839988708496,
|
| 31 |
+
"num_residues": 120,
|
| 32 |
+
"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
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"total": 1.3631037473678589,
|
| 37 |
+
"cdr": 1.1585533618927002,
|
| 38 |
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"framework": 1.369765043258667,
|
| 39 |
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"cdr_fw_aligned": 1.4218971729278564,
|
| 40 |
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"cdr1": 0.8175639510154724,
|
| 41 |
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"cdr2": 0.7893688082695007,
|
| 42 |
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"cdr3": 0.82707679271698,
|
| 43 |
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"cdr1_fw_aligned": 1.0675532817840576,
|
| 44 |
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"cdr2_fw_aligned": 1.515661597251892,
|
| 45 |
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"cdr3_fw_aligned": 1.7554688453674316,
|
| 46 |
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"num_residues": 109,
|
| 47 |
+
"num_cdr_residues": 29
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 556,
|
| 51 |
+
"num_gt_atoms": 480,
|
| 52 |
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"num_aligned_atoms": 480
|
| 53 |
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},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
+
"num_gt_atoms": 436,
|
| 57 |
+
"num_aligned_atoms": 436
|
| 58 |
+
}
|
| 59 |
+
}
|
8zpb_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8zpb_B__A_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.98788583278656,
|
| 7 |
+
"cdr": 3.096590518951416,
|
| 8 |
+
"framework": 0.37136831879615784,
|
| 9 |
+
"cdr_fw_aligned": 4.694911956787109
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 480,
|
| 12 |
+
"num_gt_atoms": 464,
|
| 13 |
+
"num_aligned_atoms": 464,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9666666666666667,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
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"total": 1.98788583278656,
|
| 22 |
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"cdr": 3.096590518951416,
|
| 23 |
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"framework": 0.37136831879615784,
|
| 24 |
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"cdr_fw_aligned": 4.694911956787109,
|
| 25 |
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"cdr1": 0.46888086199760437,
|
| 26 |
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"cdr2": 0.3257690668106079,
|
| 27 |
+
"cdr3": 2.4727792739868164,
|
| 28 |
+
"cdr1_fw_aligned": 0.8394908308982849,
|
| 29 |
+
"cdr2_fw_aligned": 0.6453778743743896,
|
| 30 |
+
"cdr3_fw_aligned": 6.595428466796875,
|
| 31 |
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"num_residues": 116,
|
| 32 |
+
"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 480,
|
| 36 |
+
"num_gt_atoms": 464,
|
| 37 |
+
"num_aligned_atoms": 464
|
| 38 |
+
}
|
| 39 |
+
}
|
9bia_E__BD_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
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|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "9bia_E__BD_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 2.3693225383758545,
|
| 7 |
+
"cdr": 4.369241714477539,
|
| 8 |
+
"framework": 1.1892520189285278,
|
| 9 |
+
"cdr_fw_aligned": 5.110714435577393
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1016,
|
| 12 |
+
"num_gt_atoms": 910,
|
| 13 |
+
"num_aligned_atoms": 852,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.8385826771653543,
|
| 16 |
+
"gt_coverage": 0.9362637362637363,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "E",
|
| 21 |
+
"total": 2.3693225383758545,
|
| 22 |
+
"cdr": 4.369241714477539,
|
| 23 |
+
"framework": 1.1892520189285278,
|
| 24 |
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"cdr_fw_aligned": 5.110714435577393,
|
| 25 |
+
"cdr1": 4.07418155670166,
|
| 26 |
+
"cdr2": 0.4267416000366211,
|
| 27 |
+
"cdr3": 2.337425708770752,
|
| 28 |
+
"cdr1_fw_aligned": 6.586423397064209,
|
| 29 |
+
"cdr2_fw_aligned": 2.101062774658203,
|
| 30 |
+
"cdr3_fw_aligned": 3.9718899726867676,
|
| 31 |
+
"num_residues": 118,
|
| 32 |
+
"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 1016,
|
| 36 |
+
"num_gt_atoms": 910,
|
| 37 |
+
"num_aligned_atoms": 852
|
| 38 |
+
}
|
| 39 |
+
}
|
9bu8_C_D_AB_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "9bu8_C_D_AB_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 0.9826116263866425,
|
| 7 |
+
"cdr": 1.230656385421753,
|
| 8 |
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"framework": 0.8405759334564209,
|
| 9 |
+
"cdr_fw_aligned": 1.3850409984588623
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 912,
|
| 12 |
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"num_gt_atoms": 912,
|
| 13 |
+
"num_aligned_atoms": 912,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 1.0,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
+
"total": 1.1558849811553955,
|
| 22 |
+
"cdr": 1.7977511882781982,
|
| 23 |
+
"framework": 0.8653640151023865,
|
| 24 |
+
"cdr_fw_aligned": 1.9401432275772095,
|
| 25 |
+
"cdr1": 0.45036473870277405,
|
| 26 |
+
"cdr2": 1.362993597984314,
|
| 27 |
+
"cdr3": 1.7723701000213623,
|
| 28 |
+
"cdr1_fw_aligned": 1.1511152982711792,
|
| 29 |
+
"cdr2_fw_aligned": 2.3832337856292725,
|
| 30 |
+
"cdr3_fw_aligned": 2.0564777851104736,
|
| 31 |
+
"num_residues": 121,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "D",
|
| 36 |
+
"total": 0.8093382716178894,
|
| 37 |
+
"cdr": 0.6635615825653076,
|
| 38 |
+
"framework": 0.8157878518104553,
|
| 39 |
+
"cdr_fw_aligned": 0.8299387693405151,
|
| 40 |
+
"cdr1": 0.6200729608535767,
|
| 41 |
+
"cdr2": 0.3222033381462097,
|
| 42 |
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"cdr3": 0.5141596794128418,
|
| 43 |
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"cdr1_fw_aligned": 0.7970439195632935,
|
| 44 |
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"cdr2_fw_aligned": 0.6998032331466675,
|
| 45 |
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"cdr3_fw_aligned": 0.9534407258033752,
|
| 46 |
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"num_residues": 107,
|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 484,
|
| 51 |
+
"num_gt_atoms": 484,
|
| 52 |
+
"num_aligned_atoms": 484
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 428,
|
| 56 |
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"num_gt_atoms": 428,
|
| 57 |
+
"num_aligned_atoms": 428
|
| 58 |
+
}
|
| 59 |
+
}
|
9fve_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": "9fve_B__A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
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"total": 1.7261040210723877,
|
| 7 |
+
"cdr": 2.886995315551758,
|
| 8 |
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"framework": 1.1734730005264282,
|
| 9 |
+
"cdr_fw_aligned": 3.2069787979125977
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 906,
|
| 12 |
+
"num_gt_atoms": 945,
|
| 13 |
+
"num_aligned_atoms": 895,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9878587196467992,
|
| 16 |
+
"gt_coverage": 0.9470899470899471,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
+
"total": 1.7261040210723877,
|
| 22 |
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"cdr": 2.886995315551758,
|
| 23 |
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"framework": 1.1734730005264282,
|
| 24 |
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"cdr_fw_aligned": 3.2069787979125977,
|
| 25 |
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"cdr1": 0.7738329768180847,
|
| 26 |
+
"cdr2": 1.1168413162231445,
|
| 27 |
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"cdr3": 3.706122398376465,
|
| 28 |
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"cdr1_fw_aligned": 0.7924166917800903,
|
| 29 |
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"cdr2_fw_aligned": 1.2007604837417603,
|
| 30 |
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"cdr3_fw_aligned": 4.460630893707275,
|
| 31 |
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"num_residues": 122,
|
| 32 |
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"num_cdr_residues": 25
|
| 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": 945,
|
| 37 |
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"num_aligned_atoms": 895
|
| 38 |
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}
|
| 39 |
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}
|