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- 7xic_K_L_B_sample_0_rmsd_backbone.json +59 -0
- 8e1m_H_L_C_sample_3_rmsd_backbone.json +59 -0
- 8e1m_H_L_C_sample_4_rmsd.json +59 -0
- 8q7o_A__C_sample_3_rmsd_backbone.json +39 -0
- 8qz1_C__B_sample_4_rmsd_backbone.json +39 -0
- 8qz6_B__A_sample_1_rmsd.json +39 -0
- 8qz6_B__A_sample_2_rmsd.json +39 -0
- 8r40_A_a_C_sample_1_rmsd.json +59 -0
- 8r40_A_a_C_sample_2_rmsd.json +59 -0
- 8r4d_B__A_sample_4_rmsd_backbone.json +39 -0
- 8r80_H_L_R_sample_0_rmsd.json +59 -0
- 8r80_H_L_R_sample_2_rmsd.json +59 -0
- 8r80_H_L_R_sample_3_rmsd.json +59 -0
- 8r9z_B_C_A_sample_1_rmsd_backbone.json +59 -0
- 8rh0_H_L_A_sample_4_rmsd_backbone.json +59 -0
- 8s0l_B__A_sample_4_rmsd.json +39 -0
- 8s0n_B__A_sample_0_rmsd_backbone.json +39 -0
- 8s5w_B__A_sample_4_rmsd.json +39 -0
- 8scx_H_L_C_sample_4_rmsd.json +59 -0
- 8sdg_G_I_C_sample_1_rmsd.json +59 -0
- 8sdg_G_I_C_sample_1_rmsd_backbone.json +59 -0
- 8sdg_G_I_C_sample_2_rmsd.json +59 -0
- 8sdg_G_I_C_sample_3_rmsd.json +59 -0
- 8sfx_D__B_sample_4_rmsd.json +39 -0
- 8sgi_H_L_A_sample_1_rmsd.json +59 -0
- 8sgj_H_L_A_sample_0_rmsd.json +59 -0
- 8sgj_H_L_A_sample_3_rmsd.json +59 -0
- 8sit_H_L_A_sample_0_rmsd_backbone.json +59 -0
- 8slb_H_L_A_sample_0_rmsd_backbone.json +59 -0
- 8smm_H_L_A_sample_4_rmsd_backbone.json +59 -0
- 8so3_Y_Z_X_sample_1_rmsd.json +59 -0
- 8so3_Y_Z_X_sample_2_rmsd.json +59 -0
- 8so3_Y_Z_X_sample_3_rmsd_backbone.json +59 -0
- 8t06_C_D_A_sample_3_rmsd_backbone.json +59 -0
- 8tbb_H_L_D_sample_2_rmsd_backbone.json +59 -0
- 8tg9_H_L_A_sample_1_rmsd_backbone.json +59 -0
- 8tga_E_F_B_sample_0_rmsd_backbone.json +59 -0
- 8tkc_G_H_AB_sample_0_rmsd_backbone.json +59 -0
- 8tkc_G_H_AB_sample_4_rmsd.json +59 -0
- 8tl3_G_H_AB_sample_3_rmsd_backbone.json +59 -0
- 8tnj_D_C_A_sample_4_rmsd_backbone.json +59 -0
- 8tnj_E_F_A_sample_2_rmsd_backbone.json +59 -0
- 8tnj_E_F_A_sample_4_rmsd.json +59 -0
- 8tnn_H_G_C_sample_0_rmsd_backbone.json +59 -0
- 8tp5_E_F_C_sample_1_rmsd_backbone.json +59 -0
- 8tp7_D_F_A_sample_4_rmsd.json +59 -0
- 8tq7_F_G_C_sample_3_rmsd_backbone.json +59 -0
- 8tr3_H_L_A_sample_3_rmsd_backbone.json +59 -0
- 8tui_H_L_A_sample_3_rmsd_backbone.json +59 -0
- 8tv1_D_E_C_sample_0_rmsd_backbone.json +59 -0
7xic_K_L_B_sample_0_rmsd_backbone.json
ADDED
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{
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"entry": "7xic_K_L_B_sample_0",
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"success": true,
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"error": null,
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"rmsd": {
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"total": 1.817605346441269,
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"cdr": 3.067151665687561,
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"framework": 0.4844367951154709,
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"cdr_fw_aligned": 3.6791187524795532
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},
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"num_pred_atoms": 948,
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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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},
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"heavy_chain": {
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"chain_id": "K",
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"total": 2.726652145385742,
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"cdr": 4.70394229888916,
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"framework": 0.43866947293281555,
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"cdr_fw_aligned": 5.744896411895752,
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"cdr1": 0.4703780710697174,
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"cdr2": 0.3456452786922455,
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"cdr3": 3.9366085529327393,
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"cdr1_fw_aligned": 0.9555246233940125,
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"cdr2_fw_aligned": 0.799160361289978,
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"cdr3_fw_aligned": 7.419383525848389,
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"num_residues": 129,
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"num_cdr_residues": 32
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},
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"light_chain": {
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"chain_id": "L",
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"total": 0.9085585474967957,
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"cdr": 1.430361032485962,
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"framework": 0.5302041172981262,
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"cdr_fw_aligned": 1.6133410930633545,
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"cdr1": 0.382096529006958,
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"cdr2": 0.25339704751968384,
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"cdr3": 1.9245589971542358,
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"cdr1_fw_aligned": 0.4432104825973511,
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"cdr2_fw_aligned": 0.5414988994598389,
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"cdr3_fw_aligned": 2.6204352378845215,
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"num_residues": 108,
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"num_cdr_residues": 28
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},
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"heavy_chain_atom_counts": {
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"num_pred_atoms": 516,
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"num_gt_atoms": 516,
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"num_aligned_atoms": 516
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"light_chain_atom_counts": {
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"num_pred_atoms": 432,
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"num_gt_atoms": 432,
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"num_aligned_atoms": 432
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}
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}
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8e1m_H_L_C_sample_3_rmsd_backbone.json
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{
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"entry": "8e1m_H_L_C_sample_3",
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"success": true,
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"error": null,
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"rmsd": {
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"total": 0.838939756155014,
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"cdr": 0.6513504981994629,
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"framework": 0.8545597195625305,
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"cdr_fw_aligned": 0.9073693454265594
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},
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"num_pred_atoms": 1904,
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| 12 |
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"num_gt_atoms": 912,
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"num_aligned_atoms": 912,
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| 14 |
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"alignment_coverage": {
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| 15 |
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"pred_coverage": 0.4789915966386555,
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| 16 |
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"gt_coverage": 1.0,
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| 17 |
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"full_coverage": false
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},
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"heavy_chain": {
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"chain_id": "H",
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"total": 0.9059167504310608,
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"cdr": 0.7478408813476562,
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"framework": 0.8853514194488525,
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"cdr_fw_aligned": 1.1314834356307983,
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"cdr1": 0.2571960687637329,
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"cdr2": 0.35469916462898254,
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"cdr3": 0.651203989982605,
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"cdr1_fw_aligned": 0.6685589551925659,
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"cdr2_fw_aligned": 1.6970118284225464,
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| 30 |
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"cdr3_fw_aligned": 1.0196459293365479,
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"num_residues": 117,
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| 32 |
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"num_cdr_residues": 21
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| 33 |
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},
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"light_chain": {
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| 35 |
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"chain_id": "L",
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| 36 |
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"total": 0.7719627618789673,
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"cdr": 0.5548601150512695,
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"cdr2": 0.3247584402561188,
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"cdr3": 0.35630878806114197,
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"cdr1_fw_aligned": 0.7070808410644531,
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"cdr2_fw_aligned": 0.6813328266143799,
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"cdr3_fw_aligned": 0.6431877017021179,
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"num_residues": 111,
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| 48 |
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"heavy_chain_atom_counts": {
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"num_gt_atoms": 468,
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"num_aligned_atoms": 468
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"light_chain_atom_counts": {
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"num_pred_atoms": 952,
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| 56 |
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| 57 |
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"num_aligned_atoms": 444
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| 58 |
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}
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| 59 |
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}
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8e1m_H_L_C_sample_4_rmsd.json
ADDED
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{
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"entry": "8e1m_H_L_C_sample_4",
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"success": true,
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| 4 |
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"error": null,
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| 5 |
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"rmsd": {
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| 6 |
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"total": 1.2094616293907166,
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| 7 |
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"cdr": 0.8092752993106842,
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| 8 |
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| 10 |
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| 11 |
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"num_pred_atoms": 3527,
|
| 12 |
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"num_gt_atoms": 1738,
|
| 13 |
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"num_aligned_atoms": 1612,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.4570456478593706,
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| 16 |
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"gt_coverage": 0.9275028768699655,
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| 17 |
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"full_coverage": false
|
| 18 |
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},
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| 19 |
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"heavy_chain": {
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| 20 |
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"chain_id": "H",
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| 21 |
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"total": 1.2247315645217896,
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| 22 |
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| 28 |
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| 29 |
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| 30 |
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"cdr3_fw_aligned": 1.3220242261886597,
|
| 31 |
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"num_residues": 117,
|
| 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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| 40 |
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"cdr2": 0.31322377920150757,
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| 42 |
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"cdr3": 0.5125429630279541,
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| 43 |
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|
| 44 |
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"cdr2_fw_aligned": 0.48476216197013855,
|
| 45 |
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"cdr3_fw_aligned": 0.9294458627700806,
|
| 46 |
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"num_residues": 111,
|
| 47 |
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"num_cdr_residues": 31
|
| 48 |
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},
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| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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| 51 |
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"num_gt_atoms": 901,
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| 52 |
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| 53 |
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},
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| 54 |
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"light_chain_atom_counts": {
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| 55 |
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| 56 |
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"num_gt_atoms": 837,
|
| 57 |
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"num_aligned_atoms": 769
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| 58 |
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}
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| 59 |
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}
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8q7o_A__C_sample_3_rmsd_backbone.json
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{
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"entry": "8q7o_A__C_sample_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": {
|
| 6 |
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"total": 3.2263572216033936,
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| 7 |
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"cdr": 4.657231330871582,
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| 8 |
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"framework": 0.6212537884712219,
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| 9 |
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"cdr_fw_aligned": 7.718973159790039
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| 10 |
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},
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| 11 |
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"num_pred_atoms": 496,
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| 12 |
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"num_gt_atoms": 480,
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| 13 |
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"num_aligned_atoms": 480,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.967741935483871,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": false
|
| 18 |
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},
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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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"cdr2_fw_aligned": 1.0257675647735596,
|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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"num_aligned_atoms": 480
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz1_C__B_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
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|
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|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz1_C__B_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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"framework": 2.0812525749206543,
|
| 9 |
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"cdr_fw_aligned": 4.588285446166992
|
| 10 |
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},
|
| 11 |
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|
| 12 |
+
"num_gt_atoms": 516,
|
| 13 |
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"num_aligned_atoms": 516,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9485294117647058,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "C",
|
| 21 |
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|
| 22 |
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"cdr": 3.2302064895629883,
|
| 23 |
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"framework": 2.0812525749206543,
|
| 24 |
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|
| 25 |
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"cdr1": 2.167342185974121,
|
| 26 |
+
"cdr2": 0.3185267150402069,
|
| 27 |
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"cdr3": 3.1307051181793213,
|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 2.655228614807129,
|
| 30 |
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"cdr3_fw_aligned": 4.889331340789795,
|
| 31 |
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|
| 32 |
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"num_cdr_residues": 30
|
| 33 |
+
},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
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"num_gt_atoms": 516,
|
| 37 |
+
"num_aligned_atoms": 516
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz6_B__A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
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|
|
|
|
|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz6_B__A_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.192953586578369,
|
| 7 |
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|
| 8 |
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|
| 9 |
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"cdr_fw_aligned": 4.308013916015625
|
| 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": 0.8413654618473896,
|
| 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 |
+
"num_aligned_atoms": 838
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz6_B__A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
|
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|
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|
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|
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|
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|
|
|
|
|
|
|
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|
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|
|
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|
|
|
|
|
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|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8qz6_B__A_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.1815154552459717,
|
| 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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"num_aligned_atoms": 838
|
| 38 |
+
}
|
| 39 |
+
}
|
8r40_A_a_C_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
|
|
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|
|
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|
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|
|
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|
|
|
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|
|
|
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|
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|
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|
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|
|
|
|
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|
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|
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|
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|
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|
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|
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|
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|
| 1 |
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{
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| 2 |
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| 3 |
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|
| 4 |
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|
| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 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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"light_chain": {
|
| 35 |
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|
| 36 |
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"total": 14.830375671386719,
|
| 37 |
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|
| 38 |
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"framework": 13.042732238769531,
|
| 39 |
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|
| 40 |
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"cdr1": 2.5992467403411865,
|
| 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 |
+
}
|
8r40_A_a_C_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
|
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|
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|
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|
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|
|
|
|
|
|
|
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|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
|
|
|
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|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8r40_A_a_C_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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"total": 15.525330543518066,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
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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 |
+
"num_pred_atoms": 1866,
|
| 51 |
+
"num_gt_atoms": 1816,
|
| 52 |
+
"num_aligned_atoms": 1664
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 1866,
|
| 56 |
+
"num_gt_atoms": 1816,
|
| 57 |
+
"num_aligned_atoms": 1664
|
| 58 |
+
}
|
| 59 |
+
}
|
8r4d_B__A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r4d_B__A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 2.443916082382202,
|
| 7 |
+
"cdr": 3.2549402713775635,
|
| 8 |
+
"framework": 1.6096463203430176,
|
| 9 |
+
"cdr_fw_aligned": 4.157144546508789
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 548,
|
| 12 |
+
"num_gt_atoms": 428,
|
| 13 |
+
"num_aligned_atoms": 428,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.781021897810219,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
+
"total": 2.443916082382202,
|
| 22 |
+
"cdr": 3.2549402713775635,
|
| 23 |
+
"framework": 1.6096463203430176,
|
| 24 |
+
"cdr_fw_aligned": 4.157144546508789,
|
| 25 |
+
"cdr1": 1.3588546514511108,
|
| 26 |
+
"cdr2": 1.7120693922042847,
|
| 27 |
+
"cdr3": 1.9068708419799805,
|
| 28 |
+
"cdr1_fw_aligned": 3.8505868911743164,
|
| 29 |
+
"cdr2_fw_aligned": 3.648495674133301,
|
| 30 |
+
"cdr3_fw_aligned": 4.473875522613525,
|
| 31 |
+
"num_residues": 107,
|
| 32 |
+
"num_cdr_residues": 28
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 548,
|
| 36 |
+
"num_gt_atoms": 428,
|
| 37 |
+
"num_aligned_atoms": 428
|
| 38 |
+
}
|
| 39 |
+
}
|
8r80_H_L_R_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": "8r80_H_L_R_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
+
"total": 1.315111666917801,
|
| 7 |
+
"cdr": 2.318689465522766,
|
| 8 |
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"framework": 1.098068654537201,
|
| 9 |
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"cdr_fw_aligned": 2.629133641719818
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 3224,
|
| 12 |
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"num_gt_atoms": 3268,
|
| 13 |
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"num_aligned_atoms": 3163,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9810794044665012,
|
| 16 |
+
"gt_coverage": 0.9678702570379437,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.6355427503585815,
|
| 22 |
+
"cdr": 3.7101049423217773,
|
| 23 |
+
"framework": 1.1990480422973633,
|
| 24 |
+
"cdr_fw_aligned": 4.274235725402832,
|
| 25 |
+
"cdr1": 0.6326225996017456,
|
| 26 |
+
"cdr2": 0.4488708972930908,
|
| 27 |
+
"cdr3": 3.4422130584716797,
|
| 28 |
+
"cdr1_fw_aligned": 2.251837968826294,
|
| 29 |
+
"cdr2_fw_aligned": 1.7015442848205566,
|
| 30 |
+
"cdr3_fw_aligned": 5.8426103591918945,
|
| 31 |
+
"num_residues": 220,
|
| 32 |
+
"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 0.9946805834770203,
|
| 37 |
+
"cdr": 0.9272739887237549,
|
| 38 |
+
"framework": 0.9970892667770386,
|
| 39 |
+
"cdr_fw_aligned": 0.9840315580368042,
|
| 40 |
+
"cdr1": 0.582327127456665,
|
| 41 |
+
"cdr2": 0.4535198509693146,
|
| 42 |
+
"cdr3": 1.0466792583465576,
|
| 43 |
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"cdr1_fw_aligned": 0.6335001587867737,
|
| 44 |
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"cdr2_fw_aligned": 0.5956992506980896,
|
| 45 |
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"cdr3_fw_aligned": 1.454423427581787,
|
| 46 |
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"num_residues": 214,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 1629,
|
| 51 |
+
"num_gt_atoms": 1615,
|
| 52 |
+
"num_aligned_atoms": 1576
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 1595,
|
| 56 |
+
"num_gt_atoms": 1653,
|
| 57 |
+
"num_aligned_atoms": 1587
|
| 58 |
+
}
|
| 59 |
+
}
|
8r80_H_L_R_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r80_H_L_R_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.2934144139289856,
|
| 7 |
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"cdr": 2.2323009967803955,
|
| 8 |
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"framework": 1.0675961673259735,
|
| 9 |
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|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 3224,
|
| 12 |
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"num_gt_atoms": 3268,
|
| 13 |
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"num_aligned_atoms": 3163,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9810794044665012,
|
| 16 |
+
"gt_coverage": 0.9678702570379437,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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"total": 1.6061909198760986,
|
| 22 |
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"cdr": 3.6806252002716064,
|
| 23 |
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"framework": 1.1499849557876587,
|
| 24 |
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"cdr_fw_aligned": 4.325227737426758,
|
| 25 |
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"cdr1": 0.5526151061058044,
|
| 26 |
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"cdr2": 0.5656229853630066,
|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 1.7196835279464722,
|
| 29 |
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"cdr2_fw_aligned": 1.2002005577087402,
|
| 30 |
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"cdr3_fw_aligned": 6.095232963562012,
|
| 31 |
+
"num_residues": 220,
|
| 32 |
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"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
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"total": 0.9806379079818726,
|
| 37 |
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|
| 38 |
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"framework": 0.9852073788642883,
|
| 39 |
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|
| 40 |
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|
| 41 |
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"cdr2": 0.3969329297542572,
|
| 42 |
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"cdr3": 0.893500566482544,
|
| 43 |
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|
| 44 |
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"cdr2_fw_aligned": 0.5294142961502075,
|
| 45 |
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|
| 46 |
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"num_residues": 214,
|
| 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": 1576
|
| 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": 1653,
|
| 57 |
+
"num_aligned_atoms": 1587
|
| 58 |
+
}
|
| 59 |
+
}
|
8r80_H_L_R_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r80_H_L_R_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.6192055344581604,
|
| 7 |
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"cdr": 2.204875200986862,
|
| 8 |
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"framework": 1.378453016281128,
|
| 9 |
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"cdr_fw_aligned": 3.3336600065231323
|
| 10 |
+
},
|
| 11 |
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|
| 12 |
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|
| 13 |
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"num_aligned_atoms": 3163,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9810794044665012,
|
| 16 |
+
"gt_coverage": 0.9678702570379437,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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"total": 1.7691222429275513,
|
| 22 |
+
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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"cdr2": 0.5485942959785461,
|
| 27 |
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|
| 28 |
+
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|
| 29 |
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|
| 30 |
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"cdr3_fw_aligned": 6.234052658081055,
|
| 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": 1.4692888259887695,
|
| 37 |
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"cdr": 0.9901899695396423,
|
| 38 |
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"framework": 1.4024266004562378,
|
| 39 |
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|
| 40 |
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|
| 41 |
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"cdr2": 0.4291996657848358,
|
| 42 |
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"cdr3": 1.0878584384918213,
|
| 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 |
+
"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": 1653,
|
| 57 |
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"num_aligned_atoms": 1587
|
| 58 |
+
}
|
| 59 |
+
}
|
8r9z_B_C_A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r9z_B_C_A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": true
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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"total": 2.7593777179718018,
|
| 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": 2.9596364498138428,
|
| 29 |
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"cdr2_fw_aligned": 2.968801975250244,
|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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"chain_id": "C",
|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 836
|
| 58 |
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}
|
| 59 |
+
}
|
8rh0_H_L_A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
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|
|
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|
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|
|
|
|
|
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|
|
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|
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|
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|
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|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8rh0_H_L_A_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.6344285607337952,
|
| 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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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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"cdr2_fw_aligned": 1.0449351072311401,
|
| 45 |
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"cdr3_fw_aligned": 3.2621777057647705,
|
| 46 |
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|
| 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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"num_aligned_atoms": 476
|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 420
|
| 58 |
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}
|
| 59 |
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}
|
8s0l_B__A_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
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|
|
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|
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|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8s0l_B__A_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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|
| 22 |
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|
| 23 |
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"framework": 3.0940299034118652,
|
| 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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"num_gt_atoms": 991,
|
| 37 |
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"num_aligned_atoms": 912
|
| 38 |
+
}
|
| 39 |
+
}
|
8s0n_B__A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
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|
|
|
|
|
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|
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|
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|
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|
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|
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|
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|
|
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|
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|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8s0n_B__A_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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"num_aligned_atoms": 520,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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|
| 22 |
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|
| 23 |
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"framework": 2.823488235473633,
|
| 24 |
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|
| 25 |
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"cdr1": 0.2777807414531708,
|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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"num_aligned_atoms": 520
|
| 38 |
+
}
|
| 39 |
+
}
|
8s5w_B__A_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
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|
|
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|
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|
|
|
|
|
|
|
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|
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|
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|
|
|
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|
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|
|
|
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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": "8s5w_B__A_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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|
| 22 |
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|
| 23 |
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"framework": 1.299508810043335,
|
| 24 |
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|
| 25 |
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"cdr1": 3.313237190246582,
|
| 26 |
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"cdr2": 1.6126959323883057,
|
| 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 |
+
}
|
8scx_H_L_C_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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|
|
| 1 |
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{
|
| 2 |
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"entry": "8scx_H_L_C_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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"total": 1.1968005895614624,
|
| 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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|
8sdg_G_I_C_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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|
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|
|
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|
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|
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|
|
|
|
|
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|
| 1 |
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{
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| 2 |
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"entry": "8sdg_G_I_C_sample_1",
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| 3 |
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| 4 |
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"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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|
| 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 |
+
}
|
8sdg_G_I_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 |
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"entry": "8sdg_G_I_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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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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| 24 |
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|
| 25 |
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| 27 |
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|
| 28 |
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| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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| 37 |
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| 38 |
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| 40 |
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| 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 |
+
}
|
8sdg_G_I_C_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
|
|
|
|
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|
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|
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|
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|
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|
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|
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|
|
|
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|
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|
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|
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|
|
|
|
|
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|
|
|
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|
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|
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|
|
|
|
|
| 1 |
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{
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| 2 |
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"entry": "8sdg_G_I_C_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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|
| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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| 24 |
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|
| 25 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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| 37 |
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|
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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 |
+
}
|
8sdg_G_I_C_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
|
|
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|
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|
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|
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|
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|
|
|
|
|
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|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8sdg_G_I_C_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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|
| 5 |
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|
| 6 |
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|
| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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| 23 |
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| 24 |
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|
| 25 |
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| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
+
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|
| 34 |
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|
| 35 |
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"chain_id": "I",
|
| 36 |
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|
| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 1568
|
| 58 |
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}
|
| 59 |
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|
8sfx_D__B_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": "8sfx_D__B_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 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": 1.362703561782837,
|
| 22 |
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|
| 23 |
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"framework": 1.2913076877593994,
|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
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"num_gt_atoms": 902,
|
| 37 |
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"num_aligned_atoms": 841
|
| 38 |
+
}
|
| 39 |
+
}
|
8sgi_H_L_A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
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|
|
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|
|
|
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|
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|
|
|
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|
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|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
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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": "8sgi_H_L_A_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 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 |
+
},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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|
| 37 |
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|
| 38 |
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"framework": 0.9960992932319641,
|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
+
}
|
| 59 |
+
}
|
8sgj_H_L_A_sample_0_rmsd.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": "8sgj_H_L_A_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
+
}
|
| 59 |
+
}
|
8sgj_H_L_A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8sgj_H_L_A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.4979689121246338,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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},
|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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}
|
| 59 |
+
}
|
8sit_H_L_A_sample_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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|
|
|
|
|
|
|
|
|
| 1 |
+
{
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| 2 |
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|
| 3 |
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|
| 4 |
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|
| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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| 10 |
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| 11 |
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| 12 |
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|
| 13 |
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| 14 |
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|
| 15 |
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| 16 |
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|
| 17 |
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|
| 18 |
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| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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| 23 |
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| 24 |
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|
| 25 |
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| 26 |
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| 27 |
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| 28 |
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| 29 |
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| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 41 |
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| 42 |
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| 43 |
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| 44 |
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| 45 |
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| 46 |
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| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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| 51 |
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| 52 |
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| 53 |
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| 54 |
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| 55 |
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|
| 56 |
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| 57 |
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|
| 58 |
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|
| 59 |
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}
|
8slb_H_L_A_sample_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 |
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{
|
| 2 |
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"entry": "8slb_H_L_A_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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|
| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 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 |
+
}
|
8smm_H_L_A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
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|
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|
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|
|
|
|
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|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
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|
|
|
|
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|
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|
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|
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|
|
|
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|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8smm_H_L_A_sample_4",
|
| 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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| 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 |
+
}
|
8so3_Y_Z_X_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
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|
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|
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|
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|
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|
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|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8so3_Y_Z_X_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
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"chain_id": "Z",
|
| 36 |
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"total": 10.736653327941895,
|
| 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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"num_gt_atoms": 1578,
|
| 57 |
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"num_aligned_atoms": 1519
|
| 58 |
+
}
|
| 59 |
+
}
|
8so3_Y_Z_X_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8so3_Y_Z_X_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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"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 |
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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_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
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|
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|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8so3_Y_Z_X_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"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 |
+
},
|
| 34 |
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"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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|
| 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 |
+
}
|
8t06_C_D_A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8t06_C_D_A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 1.0,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 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 |
+
"light_chain": {
|
| 35 |
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"chain_id": "D",
|
| 36 |
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"total": 0.7051721811294556,
|
| 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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"num_aligned_atoms": 480
|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 428,
|
| 57 |
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"num_aligned_atoms": 428
|
| 58 |
+
}
|
| 59 |
+
}
|
8tbb_H_L_D_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tbb_H_L_D_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
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"total": 1.4073693752288818,
|
| 7 |
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"cdr": 1.6444655656814575,
|
| 8 |
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"framework": 1.1169922947883606,
|
| 9 |
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|
| 10 |
+
},
|
| 11 |
+
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|
| 12 |
+
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|
| 13 |
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"num_aligned_atoms": 1732,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9840909090909091,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
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"total": 1.748333215713501,
|
| 22 |
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"cdr": 2.8480374813079834,
|
| 23 |
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|
| 24 |
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|
| 25 |
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"cdr1": 0.4894707500934601,
|
| 26 |
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|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 1.729809284210205,
|
| 29 |
+
"cdr2_fw_aligned": 2.5776126384735107,
|
| 30 |
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|
| 31 |
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"num_residues": 219,
|
| 32 |
+
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|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
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"total": 1.0664055347442627,
|
| 37 |
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|
| 38 |
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"framework": 1.031854510307312,
|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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"cdr3": 0.331819623708725,
|
| 43 |
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"cdr1_fw_aligned": 1.5957365036010742,
|
| 44 |
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"cdr2_fw_aligned": 1.6675881147384644,
|
| 45 |
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"cdr3_fw_aligned": 1.4380885362625122,
|
| 46 |
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|
| 47 |
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|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 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": 856,
|
| 57 |
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"num_aligned_atoms": 856
|
| 58 |
+
}
|
| 59 |
+
}
|
8tg9_H_L_A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8tg9_H_L_A_sample_1",
|
| 3 |
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|
| 4 |
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|
| 5 |
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|
| 6 |
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| 7 |
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| 8 |
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| 9 |
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| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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}
|
| 59 |
+
}
|
8tga_E_F_B_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8tga_E_F_B_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 3.694051742553711,
|
| 7 |
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|
| 8 |
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"framework": 3.404386878013611,
|
| 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": "E",
|
| 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": "F",
|
| 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 |
+
}
|
8tkc_G_H_AB_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tkc_G_H_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": 2.3288181722164154,
|
| 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 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "G",
|
| 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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|
| 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 |
+
}
|
8tkc_G_H_AB_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
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|
|
|
|
|
|
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|
|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8tkc_G_H_AB_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 765
|
| 58 |
+
}
|
| 59 |
+
}
|
8tl3_G_H_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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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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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": "8tl3_G_H_AB_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.8838152885437012,
|
| 7 |
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"cdr": 2.585324674844742,
|
| 8 |
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"framework": 0.5610430538654327,
|
| 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 |
+
}
|
8tnj_D_C_A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
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|
|
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|
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|
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|
|
|
|
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|
|
|
|
|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
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|
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|
|
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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": "8tnj_D_C_A_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
+
}
|
| 59 |
+
}
|
8tnj_E_F_A_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
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|
|
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|
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|
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|
|
|
|
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|
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|
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|
|
|
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|
|
|
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|
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|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8tnj_E_F_A_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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|
| 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 |
+
}
|
8tnj_E_F_A_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
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|
|
|
|
|
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|
|
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|
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|
|
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|
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|
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|
|
|
|
|
|
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|
|
|
|
|
|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
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|
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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": "8tnj_E_F_A_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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| 39 |
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|
| 41 |
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|
| 42 |
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|
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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 |
+
}
|
8tnn_H_G_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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|
|
|
|
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|
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|
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|
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|
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|
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|
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|
|
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|
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|
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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": "8tnn_H_G_C_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
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|
| 21 |
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"total": 8.414138793945312,
|
| 22 |
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"cdr": 1.3150956630706787,
|
| 23 |
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"framework": 8.088865280151367,
|
| 24 |
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"cdr_fw_aligned": 12.109301567077637,
|
| 25 |
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"cdr1": 0.48220986127853394,
|
| 26 |
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"cdr2": 0.46244803071022034,
|
| 27 |
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"cdr3": 1.3151854276657104,
|
| 28 |
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"cdr1_fw_aligned": 13.934779167175293,
|
| 29 |
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"cdr2_fw_aligned": 14.194886207580566,
|
| 30 |
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|
| 31 |
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"num_residues": 210,
|
| 32 |
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"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "G",
|
| 36 |
+
"total": 8.438316345214844,
|
| 37 |
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"cdr": 2.0326144695281982,
|
| 38 |
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"framework": 7.793928623199463,
|
| 39 |
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"cdr_fw_aligned": 13.555708885192871,
|
| 40 |
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"cdr1": 2.6150529384613037,
|
| 41 |
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"cdr2": 0.4764641523361206,
|
| 42 |
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"cdr3": 0.834793746471405,
|
| 43 |
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"cdr1_fw_aligned": 16.487144470214844,
|
| 44 |
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"cdr2_fw_aligned": 10.764301300048828,
|
| 45 |
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"cdr3_fw_aligned": 11.354229927062988,
|
| 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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"num_pred_atoms": 936,
|
| 51 |
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"num_gt_atoms": 840,
|
| 52 |
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"num_aligned_atoms": 840
|
| 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": 816,
|
| 57 |
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"num_aligned_atoms": 816
|
| 58 |
+
}
|
| 59 |
+
}
|
8tp5_E_F_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tp5_E_F_C_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
+
"total": 3.6014822721481323,
|
| 7 |
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"cdr": 5.6630682945251465,
|
| 8 |
+
"framework": 0.6092922985553741,
|
| 9 |
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"cdr_fw_aligned": 7.972665786743164
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 968,
|
| 12 |
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"num_gt_atoms": 968,
|
| 13 |
+
"num_aligned_atoms": 968,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 1.0,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "E",
|
| 21 |
+
"total": 4.7380218505859375,
|
| 22 |
+
"cdr": 7.534822940826416,
|
| 23 |
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"framework": 0.546023964881897,
|
| 24 |
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"cdr_fw_aligned": 10.852478981018066,
|
| 25 |
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"cdr1": 1.5664465427398682,
|
| 26 |
+
"cdr2": 0.38486233353614807,
|
| 27 |
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"cdr3": 3.968517541885376,
|
| 28 |
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"cdr1_fw_aligned": 2.210580348968506,
|
| 29 |
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"cdr2_fw_aligned": 0.6352109909057617,
|
| 30 |
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|
| 31 |
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"num_residues": 130,
|
| 32 |
+
"num_cdr_residues": 34
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "F",
|
| 36 |
+
"total": 2.464942693710327,
|
| 37 |
+
"cdr": 3.791313648223877,
|
| 38 |
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"framework": 0.6725606322288513,
|
| 39 |
+
"cdr_fw_aligned": 5.092852592468262,
|
| 40 |
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"cdr1": 3.0669384002685547,
|
| 41 |
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"cdr2": 0.2593829333782196,
|
| 42 |
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"cdr3": 2.423814058303833,
|
| 43 |
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"cdr1_fw_aligned": 3.6769442558288574,
|
| 44 |
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"cdr2_fw_aligned": 0.46634361147880554,
|
| 45 |
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"cdr3_fw_aligned": 7.444937229156494,
|
| 46 |
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"num_residues": 112,
|
| 47 |
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"num_cdr_residues": 33
|
| 48 |
+
},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 520,
|
| 51 |
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"num_gt_atoms": 520,
|
| 52 |
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"num_aligned_atoms": 520
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 448,
|
| 56 |
+
"num_gt_atoms": 448,
|
| 57 |
+
"num_aligned_atoms": 448
|
| 58 |
+
}
|
| 59 |
+
}
|
8tp7_D_F_A_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
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|
|
|
|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tp7_D_F_A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
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"total": 1.846275508403778,
|
| 7 |
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"cdr": 3.2277969121932983,
|
| 8 |
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"framework": 0.8840062916278839,
|
| 9 |
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|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 1659,
|
| 12 |
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"num_gt_atoms": 1772,
|
| 13 |
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"num_aligned_atoms": 1619,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9758890898131405,
|
| 16 |
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"gt_coverage": 0.9136568848758465,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "D",
|
| 21 |
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"total": 1.5162674188613892,
|
| 22 |
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"cdr": 2.5566012859344482,
|
| 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": 2.6957390308380127,
|
| 29 |
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"cdr2_fw_aligned": 3.067990779876709,
|
| 30 |
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|
| 31 |
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"num_residues": 126,
|
| 32 |
+
"num_cdr_residues": 30
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "F",
|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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"cdr3": 2.7824082374572754,
|
| 43 |
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"cdr1_fw_aligned": 2.8467278480529785,
|
| 44 |
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"cdr2_fw_aligned": 0.6653344035148621,
|
| 45 |
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|
| 46 |
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"num_residues": 108,
|
| 47 |
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"num_cdr_residues": 31
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
+
},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 789,
|
| 57 |
+
"num_aligned_atoms": 726
|
| 58 |
+
}
|
| 59 |
+
}
|
8tq7_F_G_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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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tq7_F_G_C_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.1305140256881714,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
+
},
|
| 11 |
+
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|
| 12 |
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|
| 13 |
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"num_aligned_atoms": 1696,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9906542056074766,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "F",
|
| 21 |
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"total": 0.8039239645004272,
|
| 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": 2.1407625675201416,
|
| 31 |
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|
| 32 |
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"num_cdr_residues": 21
|
| 33 |
+
},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "G",
|
| 36 |
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"total": 1.4571040868759155,
|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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"cdr3": 1.6813735961914062,
|
| 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": 852
|
| 58 |
+
}
|
| 59 |
+
}
|
8tr3_H_L_A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
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|
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|
|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tr3_H_L_A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.2127906680107117,
|
| 7 |
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"cdr": 1.738521933555603,
|
| 8 |
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"framework": 0.805747389793396,
|
| 9 |
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"cdr_fw_aligned": 2.079113781452179
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 932,
|
| 12 |
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"num_gt_atoms": 928,
|
| 13 |
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"num_aligned_atoms": 928,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9957081545064378,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.1590803861618042,
|
| 22 |
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"cdr": 2.0502240657806396,
|
| 23 |
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"framework": 0.5970590114593506,
|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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"cdr3": 1.9249850511550903,
|
| 28 |
+
"cdr1_fw_aligned": 0.9550750851631165,
|
| 29 |
+
"cdr2_fw_aligned": 0.845529317855835,
|
| 30 |
+
"cdr3_fw_aligned": 2.9759957790374756,
|
| 31 |
+
"num_residues": 124,
|
| 32 |
+
"num_cdr_residues": 28
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 1.2665009498596191,
|
| 37 |
+
"cdr": 1.4268198013305664,
|
| 38 |
+
"framework": 1.0144357681274414,
|
| 39 |
+
"cdr_fw_aligned": 1.8942009210586548,
|
| 40 |
+
"cdr1": 0.36426523327827454,
|
| 41 |
+
"cdr2": 1.723877191543579,
|
| 42 |
+
"cdr3": 0.8526634573936462,
|
| 43 |
+
"cdr1_fw_aligned": 0.5818092226982117,
|
| 44 |
+
"cdr2_fw_aligned": 3.463454246520996,
|
| 45 |
+
"cdr3_fw_aligned": 1.0101494789123535,
|
| 46 |
+
"num_residues": 108,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 496,
|
| 51 |
+
"num_gt_atoms": 496,
|
| 52 |
+
"num_aligned_atoms": 496
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 436,
|
| 56 |
+
"num_gt_atoms": 432,
|
| 57 |
+
"num_aligned_atoms": 432
|
| 58 |
+
}
|
| 59 |
+
}
|
8tui_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tui_H_L_A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.7917189300060272,
|
| 7 |
+
"cdr": 3.0854967832565308,
|
| 8 |
+
"framework": 1.2487402558326721,
|
| 9 |
+
"cdr_fw_aligned": 3.926274538040161
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1916,
|
| 12 |
+
"num_gt_atoms": 1748,
|
| 13 |
+
"num_aligned_atoms": 1748,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9123173277661796,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 2.802968978881836,
|
| 22 |
+
"cdr": 5.031454086303711,
|
| 23 |
+
"framework": 1.8243120908737183,
|
| 24 |
+
"cdr_fw_aligned": 6.540083408355713,
|
| 25 |
+
"cdr1": 1.5822210311889648,
|
| 26 |
+
"cdr2": 0.47070953249931335,
|
| 27 |
+
"cdr3": 2.637190341949463,
|
| 28 |
+
"cdr1_fw_aligned": 2.014937400817871,
|
| 29 |
+
"cdr2_fw_aligned": 3.5945916175842285,
|
| 30 |
+
"cdr3_fw_aligned": 8.655784606933594,
|
| 31 |
+
"num_residues": 225,
|
| 32 |
+
"num_cdr_residues": 27
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 0.7804688811302185,
|
| 37 |
+
"cdr": 1.1395394802093506,
|
| 38 |
+
"framework": 0.673168420791626,
|
| 39 |
+
"cdr_fw_aligned": 1.3124656677246094,
|
| 40 |
+
"cdr1": 0.5763060450553894,
|
| 41 |
+
"cdr2": 0.23734670877456665,
|
| 42 |
+
"cdr3": 1.6096603870391846,
|
| 43 |
+
"cdr1_fw_aligned": 1.008936882019043,
|
| 44 |
+
"cdr2_fw_aligned": 0.7131317853927612,
|
| 45 |
+
"cdr3_fw_aligned": 1.8782949447631836,
|
| 46 |
+
"num_residues": 212,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 1060,
|
| 51 |
+
"num_gt_atoms": 900,
|
| 52 |
+
"num_aligned_atoms": 900
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 856,
|
| 56 |
+
"num_gt_atoms": 848,
|
| 57 |
+
"num_aligned_atoms": 848
|
| 58 |
+
}
|
| 59 |
+
}
|
8tv1_D_E_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 |
+
"entry": "8tv1_D_E_C_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.7755000293254852,
|
| 7 |
+
"cdr": 3.518708109855652,
|
| 8 |
+
"framework": 0.9473652541637421,
|
| 9 |
+
"cdr_fw_aligned": 4.0774863958358765
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1792,
|
| 12 |
+
"num_gt_atoms": 1760,
|
| 13 |
+
"num_aligned_atoms": 1760,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9821428571428571,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "D",
|
| 21 |
+
"total": 2.5599706172943115,
|
| 22 |
+
"cdr": 5.841134071350098,
|
| 23 |
+
"framework": 1.0303542613983154,
|
| 24 |
+
"cdr_fw_aligned": 6.360751628875732,
|
| 25 |
+
"cdr1": 0.4821626842021942,
|
| 26 |
+
"cdr2": 0.3057209253311157,
|
| 27 |
+
"cdr3": 5.087468147277832,
|
| 28 |
+
"cdr1_fw_aligned": 1.250991940498352,
|
| 29 |
+
"cdr2_fw_aligned": 1.4489768743515015,
|
| 30 |
+
"cdr3_fw_aligned": 8.09814739227295,
|
| 31 |
+
"num_residues": 230,
|
| 32 |
+
"num_cdr_residues": 33
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "E",
|
| 36 |
+
"total": 0.9910294413566589,
|
| 37 |
+
"cdr": 1.196282148361206,
|
| 38 |
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"framework": 0.8643762469291687,
|
| 39 |
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"cdr_fw_aligned": 1.7942211627960205,
|
| 40 |
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"cdr1": 1.2168415784835815,
|
| 41 |
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"cdr2": 0.2279762327671051,
|
| 42 |
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"cdr3": 1.2459601163864136,
|
| 43 |
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"cdr1_fw_aligned": 1.6406500339508057,
|
| 44 |
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"cdr2_fw_aligned": 1.1409614086151123,
|
| 45 |
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"cdr3_fw_aligned": 2.371136426925659,
|
| 46 |
+
"num_residues": 210,
|
| 47 |
+
"num_cdr_residues": 26
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 948,
|
| 51 |
+
"num_gt_atoms": 920,
|
| 52 |
+
"num_aligned_atoms": 920
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 844,
|
| 56 |
+
"num_gt_atoms": 840,
|
| 57 |
+
"num_aligned_atoms": 840
|
| 58 |
+
}
|
| 59 |
+
}
|