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- 7xic_K_L_B_sample_0_rmsd_backbone.json +59 -0
- 8e1m_H_L_C_sample_1_rmsd.json +59 -0
- 8qf5_G__H_sample_4_rmsd_backbone.json +39 -0
- 8qz6_B__A_sample_2_rmsd_backbone.json +39 -0
- 8qz6_B__A_sample_4_rmsd.json +39 -0
- 8r40_A_a_C_sample_4_rmsd.json +59 -0
- 8r8k_H_L_A_sample_0_rmsd_backbone.json +59 -0
- 8rz2_B_C_A_sample_2_rmsd_backbone.json +59 -0
- 8s0l_B__A_sample_0_rmsd.json +39 -0
- 8s0n_B__A_sample_1_rmsd_backbone.json +39 -0
- 8s5w_B__A_sample_2_rmsd.json +39 -0
- 8s5w_B__A_sample_3_rmsd.json +39 -0
- 8scx_H_L_C_sample_2_rmsd.json +59 -0
- 8scx_H_L_C_sample_3_rmsd.json +59 -0
- 8sfx_D__B_sample_1_rmsd.json +39 -0
- 8sfx_D__B_sample_1_rmsd_backbone.json +39 -0
- 8sit_H_L_A_sample_0_rmsd_backbone.json +59 -0
- 8smk_B_C_A_sample_3_rmsd_backbone.json +59 -0
- 8smm_H_L_A_sample_4_rmsd_backbone.json +59 -0
- 8smn_H_L_A_sample_4_rmsd_backbone.json +59 -0
- 8sr0_Y_Z_X_sample_2_rmsd_backbone.json +59 -0
- 8sxp_H_L_C_sample_3_rmsd_backbone.json +59 -0
- 8t1g_G_I_CD_sample_3_rmsd_backbone.json +59 -0
- 8t1g_G_I_CD_sample_4_rmsd.json +59 -0
- 8t9b_C_G_L_sample_2_rmsd.json +59 -0
- 8t9b_C_G_L_sample_3_rmsd.json +59 -0
- 8tkc_G_H_AB_sample_3_rmsd_backbone.json +59 -0
- 8tl3_G_H_AB_sample_4_rmsd.json +59 -0
- 8tl5_G_H_AB_sample_1_rmsd.json +59 -0
- 8tl5_G_H_AB_sample_3_rmsd_backbone.json +59 -0
- 8tnj_E_F_A_sample_2_rmsd.json +59 -0
- 8tnj_E_F_A_sample_3_rmsd.json +59 -0
- 8tp7_D_F_A_sample_2_rmsd.json +59 -0
- 8tp7_D_F_A_sample_3_rmsd.json +59 -0
- 8tx3_H_L_CD_sample_4_rmsd_backbone.json +59 -0
- 8ty1_C_B_A_sample_4_rmsd_backbone.json +59 -0
- 8tzu_C__B_sample_3_rmsd_backbone.json +39 -0
- 8u31_C_B_A_sample_0_rmsd_backbone.json +59 -0
- 8u32_C_B_A_sample_0_rmsd_backbone.json +59 -0
- 8uky_H_L_C_sample_4_rmsd_backbone.json +59 -0
- 8ulj_H_L_AB_sample_1_rmsd_backbone.json +59 -0
- 8uo9_B__A_sample_0_rmsd_backbone.json +39 -0
- 8uo9_B__A_sample_4_rmsd.json +39 -0
- 8uoa_B__A_sample_0_rmsd.json +39 -0
- 8uoa_B__A_sample_3_rmsd_backbone.json +39 -0
- 8v4f_B_D_A_sample_0_rmsd_backbone.json +59 -0
- 8v7o_H_L_A_sample_0_rmsd_backbone.json +59 -0
- 8v7o_H_L_A_sample_2_rmsd.json +59 -0
- 8v7o_H_L_A_sample_3_rmsd.json +59 -0
- 8vqd_C_B_A_sample_0_rmsd.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": 1.1894443333148956,
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"cdr": 1.8449287116527557,
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"framework": 0.4692174941301346,
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"cdr_fw_aligned": 2.307590991258621
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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": 1.9195621013641357,
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"cdr": 3.237623453140259,
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"framework": 0.49614569544792175,
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"cdr_fw_aligned": 4.07418155670166,
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"cdr1": 0.4058467149734497,
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"cdr2": 0.30502310395240784,
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"cdr3": 3.6473751068115234,
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"cdr1_fw_aligned": 0.709024965763092,
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"cdr2_fw_aligned": 0.7452604174613953,
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"cdr3_fw_aligned": 5.2531418800354,
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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": 0.4593265652656555,
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| 37 |
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"cdr": 0.4522339701652527,
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| 38 |
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"framework": 0.4422892928123474,
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| 39 |
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"cdr_fw_aligned": 0.5410004258155823,
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"cdr1": 0.37740734219551086,
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"cdr2": 0.21452239155769348,
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"cdr3": 0.5529767274856567,
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"cdr1_fw_aligned": 0.45203807950019836,
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"cdr2_fw_aligned": 0.2938533425331116,
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"cdr3_fw_aligned": 0.7309590578079224,
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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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},
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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_1_rmsd.json
ADDED
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{
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"entry": "8e1m_H_L_C_sample_1",
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"success": true,
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"error": null,
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| 5 |
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"rmsd": {
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"total": 1.0033884346485138,
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"cdr": 0.7313578128814697,
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| 8 |
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"framework": 1.0344579815864563,
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| 9 |
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"cdr_fw_aligned": 0.8742071390151978
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},
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| 11 |
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"num_pred_atoms": 3561,
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| 12 |
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"num_gt_atoms": 1738,
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| 13 |
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"num_aligned_atoms": 1614,
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| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.45324347093513057,
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| 16 |
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"gt_coverage": 0.9286536248561565,
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| 17 |
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"full_coverage": false
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| 18 |
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},
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| 19 |
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"heavy_chain": {
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| 20 |
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"chain_id": "H",
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| 21 |
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"total": 1.1138790845870972,
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| 22 |
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"cdr": 0.782476007938385,
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| 23 |
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"framework": 1.1341537237167358,
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| 24 |
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"cdr_fw_aligned": 1.0054782629013062,
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| 25 |
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"cdr1": 0.42110389471054077,
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| 26 |
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"cdr2": 0.23805849254131317,
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| 27 |
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"cdr3": 0.747047483921051,
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| 28 |
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"cdr1_fw_aligned": 0.5197592377662659,
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| 29 |
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"cdr2_fw_aligned": 1.1674883365631104,
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| 30 |
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"cdr3_fw_aligned": 1.1643650531768799,
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| 31 |
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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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| 34 |
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"light_chain": {
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| 35 |
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"chain_id": "L",
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| 36 |
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"total": 0.8928977847099304,
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| 37 |
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"cdr": 0.6802396178245544,
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| 38 |
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"framework": 0.9347622394561768,
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| 39 |
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"cdr_fw_aligned": 0.7429360151290894,
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| 40 |
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"cdr1": 0.7199137806892395,
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"cdr2": 0.4853426516056061,
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| 42 |
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"cdr3": 0.38860023021698,
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| 43 |
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"cdr1_fw_aligned": 0.8768377900123596,
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| 44 |
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"cdr2_fw_aligned": 0.5950883626937866,
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| 45 |
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"cdr3_fw_aligned": 0.5782495737075806,
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| 46 |
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"num_residues": 111,
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| 47 |
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"num_cdr_residues": 31
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| 48 |
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},
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| 49 |
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"heavy_chain_atom_counts": {
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| 50 |
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"num_pred_atoms": 1755,
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| 51 |
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"num_gt_atoms": 901,
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| 52 |
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"num_aligned_atoms": 846
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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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"num_pred_atoms": 1806,
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| 56 |
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"num_gt_atoms": 837,
|
| 57 |
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"num_aligned_atoms": 768
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| 58 |
+
}
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| 59 |
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}
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8qf5_G__H_sample_4_rmsd_backbone.json
ADDED
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@@ -0,0 +1,39 @@
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{
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"entry": "8qf5_G__H_sample_4",
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| 3 |
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"success": true,
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| 4 |
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"error": null,
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| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.5765433311462402,
|
| 7 |
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"cdr": 3.334041118621826,
|
| 8 |
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"framework": 1.9893532991409302,
|
| 9 |
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"cdr_fw_aligned": 4.79918098449707
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| 10 |
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},
|
| 11 |
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"num_pred_atoms": 480,
|
| 12 |
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"num_gt_atoms": 480,
|
| 13 |
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"num_aligned_atoms": 480,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 1.0,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": true
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "G",
|
| 21 |
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"total": 2.5765433311462402,
|
| 22 |
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"cdr": 3.334041118621826,
|
| 23 |
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"framework": 1.9893532991409302,
|
| 24 |
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"cdr_fw_aligned": 4.79918098449707,
|
| 25 |
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"cdr1": 2.329721450805664,
|
| 26 |
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"cdr2": 0.16085335612297058,
|
| 27 |
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"cdr3": 3.142500638961792,
|
| 28 |
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"cdr1_fw_aligned": 3.515615463256836,
|
| 29 |
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"cdr2_fw_aligned": 0.8469005823135376,
|
| 30 |
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"cdr3_fw_aligned": 6.454478740692139,
|
| 31 |
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"num_residues": 120,
|
| 32 |
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"num_cdr_residues": 22
|
| 33 |
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},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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"num_pred_atoms": 480,
|
| 36 |
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"num_gt_atoms": 480,
|
| 37 |
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"num_aligned_atoms": 480
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| 38 |
+
}
|
| 39 |
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}
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8qz6_B__A_sample_2_rmsd_backbone.json
ADDED
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{
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"entry": "8qz6_B__A_sample_2",
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| 3 |
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"success": true,
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| 4 |
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"error": null,
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| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.3789243698120117,
|
| 7 |
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"cdr": 2.2112507820129395,
|
| 8 |
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"framework": 0.6270236372947693,
|
| 9 |
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"cdr_fw_aligned": 2.8016245365142822
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| 10 |
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},
|
| 11 |
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"num_pred_atoms": 544,
|
| 12 |
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"num_gt_atoms": 496,
|
| 13 |
+
"num_aligned_atoms": 496,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9117647058823529,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
+
"total": 1.3789243698120117,
|
| 22 |
+
"cdr": 2.2112507820129395,
|
| 23 |
+
"framework": 0.6270236372947693,
|
| 24 |
+
"cdr_fw_aligned": 2.8016245365142822,
|
| 25 |
+
"cdr1": 0.43490153551101685,
|
| 26 |
+
"cdr2": 0.24618427455425262,
|
| 27 |
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"cdr3": 1.9610133171081543,
|
| 28 |
+
"cdr1_fw_aligned": 0.9297086596488953,
|
| 29 |
+
"cdr2_fw_aligned": 0.45386719703674316,
|
| 30 |
+
"cdr3_fw_aligned": 3.663703203201294,
|
| 31 |
+
"num_residues": 124,
|
| 32 |
+
"num_cdr_residues": 30
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 544,
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| 36 |
+
"num_gt_atoms": 496,
|
| 37 |
+
"num_aligned_atoms": 496
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| 38 |
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}
|
| 39 |
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}
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8qz6_B__A_sample_4_rmsd.json
ADDED
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz6_B__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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"full_coverage": false
|
| 18 |
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|
| 19 |
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|
| 20 |
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"chain_id": "B",
|
| 21 |
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| 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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|
8r40_A_a_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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|
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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": "8r40_A_a_C_sample_4",
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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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|
8r8k_H_L_A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
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|
|
|
|
|
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|
|
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|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8r8k_H_L_A_sample_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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"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 |
+
}
|
8rz2_B_C_A_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
|
|
|
|
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|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8rz2_B_C_A_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 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 |
+
}
|
8s0l_B__A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
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|
|
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|
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|
|
|
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|
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|
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|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8s0l_B__A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.577965259552002,
|
| 7 |
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"cdr": 2.6233739852905273,
|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.8426862925482981,
|
| 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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|
| 29 |
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|
| 30 |
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"cdr3_fw_aligned": 3.7192461490631104,
|
| 31 |
+
"num_residues": 130,
|
| 32 |
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"num_cdr_residues": 32
|
| 33 |
+
},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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"num_pred_atoms": 1087,
|
| 36 |
+
"num_gt_atoms": 991,
|
| 37 |
+
"num_aligned_atoms": 916
|
| 38 |
+
}
|
| 39 |
+
}
|
8s0n_B__A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
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|
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|
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|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8s0n_B__A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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"cdr": 2.235116481781006,
|
| 8 |
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"framework": 0.5584600567817688,
|
| 9 |
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"cdr_fw_aligned": 2.694695472717285
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 600,
|
| 12 |
+
"num_gt_atoms": 520,
|
| 13 |
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"num_aligned_atoms": 520,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.8666666666666667,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
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"total": 1.363616704940796,
|
| 22 |
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"cdr": 2.235116481781006,
|
| 23 |
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"framework": 0.5584600567817688,
|
| 24 |
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"cdr_fw_aligned": 2.694695472717285,
|
| 25 |
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"cdr1": 0.392735093832016,
|
| 26 |
+
"cdr2": 0.32503536343574524,
|
| 27 |
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"cdr3": 2.618673086166382,
|
| 28 |
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|
| 29 |
+
"cdr2_fw_aligned": 0.3857259750366211,
|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 32
|
| 33 |
+
},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 600,
|
| 36 |
+
"num_gt_atoms": 520,
|
| 37 |
+
"num_aligned_atoms": 520
|
| 38 |
+
}
|
| 39 |
+
}
|
8s5w_B__A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
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|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8s5w_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": 2.8897178173065186,
|
| 7 |
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"cdr": 5.005716323852539,
|
| 8 |
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"framework": 1.3134450912475586,
|
| 9 |
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"cdr_fw_aligned": 6.8284430503845215
|
| 10 |
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},
|
| 11 |
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|
| 12 |
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"num_gt_atoms": 935,
|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.8277830637488106,
|
| 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": "B",
|
| 21 |
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|
| 22 |
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"cdr": 5.005716323852539,
|
| 23 |
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"framework": 1.3134450912475586,
|
| 24 |
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"cdr_fw_aligned": 6.8284430503845215,
|
| 25 |
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"cdr1": 3.219545364379883,
|
| 26 |
+
"cdr2": 1.8991343975067139,
|
| 27 |
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|
| 28 |
+
"cdr1_fw_aligned": 4.2230706214904785,
|
| 29 |
+
"cdr2_fw_aligned": 2.434021234512329,
|
| 30 |
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"cdr3_fw_aligned": 8.781444549560547,
|
| 31 |
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"num_residues": 122,
|
| 32 |
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"num_cdr_residues": 27
|
| 33 |
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|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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"num_pred_atoms": 1051,
|
| 36 |
+
"num_gt_atoms": 935,
|
| 37 |
+
"num_aligned_atoms": 870
|
| 38 |
+
}
|
| 39 |
+
}
|
8s5w_B__A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
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|
|
|
|
|
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|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8s5w_B__A_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 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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"cdr": 5.088059902191162,
|
| 23 |
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"framework": 1.3112561702728271,
|
| 24 |
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|
| 25 |
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"cdr1": 3.0310311317443848,
|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 2.461304187774658,
|
| 30 |
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"cdr3_fw_aligned": 8.896045684814453,
|
| 31 |
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"num_residues": 122,
|
| 32 |
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"num_cdr_residues": 27
|
| 33 |
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},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
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"num_gt_atoms": 935,
|
| 37 |
+
"num_aligned_atoms": 870
|
| 38 |
+
}
|
| 39 |
+
}
|
8scx_H_L_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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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": "8scx_H_L_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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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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|
| 37 |
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|
| 38 |
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"framework": 0.8784482479095459,
|
| 39 |
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|
| 40 |
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"cdr1": 0.6306471228599548,
|
| 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": 768
|
| 58 |
+
}
|
| 59 |
+
}
|
8scx_H_L_C_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
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|
|
|
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|
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|
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|
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|
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|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8scx_H_L_C_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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"gt_coverage": 0.9286536248561565,
|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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"num_cdr_residues": 31
|
| 48 |
+
},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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|
| 57 |
+
"num_aligned_atoms": 768
|
| 58 |
+
}
|
| 59 |
+
}
|
8sfx_D__B_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
|
|
|
|
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|
|
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|
|
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|
|
|
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|
|
|
|
|
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|
|
|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sfx_D__B_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.1734721660614014,
|
| 7 |
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|
| 8 |
+
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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"num_gt_atoms": 902,
|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.7947019867549668,
|
| 16 |
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"gt_coverage": 0.9312638580931264,
|
| 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": "D",
|
| 21 |
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|
| 22 |
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|
| 23 |
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"framework": 1.2217756509780884,
|
| 24 |
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|
| 25 |
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"cdr1": 0.3074010908603668,
|
| 26 |
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|
| 27 |
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"cdr3": 0.5175096988677979,
|
| 28 |
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"cdr1_fw_aligned": 0.9886503219604492,
|
| 29 |
+
"cdr2_fw_aligned": 1.1719727516174316,
|
| 30 |
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"cdr3_fw_aligned": 0.8741598129272461,
|
| 31 |
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"num_residues": 120,
|
| 32 |
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"num_cdr_residues": 25
|
| 33 |
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},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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"num_pred_atoms": 1057,
|
| 36 |
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"num_gt_atoms": 902,
|
| 37 |
+
"num_aligned_atoms": 840
|
| 38 |
+
}
|
| 39 |
+
}
|
8sfx_D__B_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sfx_D__B_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 0.764506995677948,
|
| 7 |
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"cdr": 0.5948702096939087,
|
| 8 |
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|
| 9 |
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"cdr_fw_aligned": 0.888404905796051
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 568,
|
| 12 |
+
"num_gt_atoms": 480,
|
| 13 |
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"num_aligned_atoms": 480,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.8450704225352113,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "D",
|
| 21 |
+
"total": 0.764506995677948,
|
| 22 |
+
"cdr": 0.5948702096939087,
|
| 23 |
+
"framework": 0.7614456415176392,
|
| 24 |
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"cdr_fw_aligned": 0.888404905796051,
|
| 25 |
+
"cdr1": 0.3005981743335724,
|
| 26 |
+
"cdr2": 0.2923009991645813,
|
| 27 |
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"cdr3": 0.4555220305919647,
|
| 28 |
+
"cdr1_fw_aligned": 0.8184636831283569,
|
| 29 |
+
"cdr2_fw_aligned": 1.0955191850662231,
|
| 30 |
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"cdr3_fw_aligned": 0.8103944063186646,
|
| 31 |
+
"num_residues": 120,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 568,
|
| 36 |
+
"num_gt_atoms": 480,
|
| 37 |
+
"num_aligned_atoms": 480
|
| 38 |
+
}
|
| 39 |
+
}
|
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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sit_H_L_A_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 9.884466171264648,
|
| 7 |
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|
| 8 |
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"framework": 9.486928939819336,
|
| 9 |
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|
| 10 |
+
},
|
| 11 |
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|
| 12 |
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"num_gt_atoms": 1724,
|
| 13 |
+
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|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 9.649811744689941,
|
| 22 |
+
"cdr": 2.1061925888061523,
|
| 23 |
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"framework": 9.552315711975098,
|
| 24 |
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"cdr_fw_aligned": 11.945120811462402,
|
| 25 |
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"cdr1": 0.4426599144935608,
|
| 26 |
+
"cdr2": 1.655111312866211,
|
| 27 |
+
"cdr3": 1.4399244785308838,
|
| 28 |
+
"cdr1_fw_aligned": 16.02334213256836,
|
| 29 |
+
"cdr2_fw_aligned": 14.072665214538574,
|
| 30 |
+
"cdr3_fw_aligned": 9.120464324951172,
|
| 31 |
+
"num_residues": 221,
|
| 32 |
+
"num_cdr_residues": 32
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 10.119120597839355,
|
| 37 |
+
"cdr": 0.8505589365959167,
|
| 38 |
+
"framework": 9.421542167663574,
|
| 39 |
+
"cdr_fw_aligned": 16.357295989990234,
|
| 40 |
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"cdr1": 0.8594377040863037,
|
| 41 |
+
"cdr2": 0.29634010791778564,
|
| 42 |
+
"cdr3": 0.49150651693344116,
|
| 43 |
+
"cdr1_fw_aligned": 18.444610595703125,
|
| 44 |
+
"cdr2_fw_aligned": 12.928079605102539,
|
| 45 |
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"cdr3_fw_aligned": 16.088083267211914,
|
| 46 |
+
"num_residues": 210,
|
| 47 |
+
"num_cdr_residues": 29
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 924,
|
| 51 |
+
"num_gt_atoms": 884,
|
| 52 |
+
"num_aligned_atoms": 884
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 856,
|
| 56 |
+
"num_gt_atoms": 840,
|
| 57 |
+
"num_aligned_atoms": 840
|
| 58 |
+
}
|
| 59 |
+
}
|
8smk_B_C_A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8smk_B_C_A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 3.893623471260071,
|
| 7 |
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"cdr": 1.3836035132408142,
|
| 8 |
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"framework": 3.6869139671325684,
|
| 9 |
+
"cdr_fw_aligned": 5.867762088775635
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1776,
|
| 12 |
+
"num_gt_atoms": 1744,
|
| 13 |
+
"num_aligned_atoms": 1744,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9819819819819819,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
+
"total": 4.3209381103515625,
|
| 22 |
+
"cdr": 1.1339181661605835,
|
| 23 |
+
"framework": 4.109418869018555,
|
| 24 |
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"cdr_fw_aligned": 6.30158805847168,
|
| 25 |
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"cdr1": 0.4479178786277771,
|
| 26 |
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"cdr2": 0.3024553060531616,
|
| 27 |
+
"cdr3": 1.4000694751739502,
|
| 28 |
+
"cdr1_fw_aligned": 7.660284996032715,
|
| 29 |
+
"cdr2_fw_aligned": 7.603119850158691,
|
| 30 |
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"cdr3_fw_aligned": 4.426704406738281,
|
| 31 |
+
"num_residues": 221,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "C",
|
| 36 |
+
"total": 3.466308832168579,
|
| 37 |
+
"cdr": 1.633288860321045,
|
| 38 |
+
"framework": 3.264409065246582,
|
| 39 |
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"cdr_fw_aligned": 5.43393611907959,
|
| 40 |
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|
| 41 |
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"cdr2": 1.3795510530471802,
|
| 42 |
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"cdr3": 1.5980956554412842,
|
| 43 |
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"cdr1_fw_aligned": 6.5445475578308105,
|
| 44 |
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"cdr2_fw_aligned": 4.993386745452881,
|
| 45 |
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"cdr3_fw_aligned": 4.375813961029053,
|
| 46 |
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"num_residues": 215,
|
| 47 |
+
"num_cdr_residues": 29
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 916,
|
| 51 |
+
"num_gt_atoms": 884,
|
| 52 |
+
"num_aligned_atoms": 884
|
| 53 |
+
},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 860,
|
| 56 |
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"num_gt_atoms": 860,
|
| 57 |
+
"num_aligned_atoms": 860
|
| 58 |
+
}
|
| 59 |
+
}
|
8smm_H_L_A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8smm_H_L_A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.3852450847625732,
|
| 7 |
+
"cdr": 2.124786853790283,
|
| 8 |
+
"framework": 0.7731567621231079,
|
| 9 |
+
"cdr_fw_aligned": 2.5990028381347656
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1796,
|
| 12 |
+
"num_gt_atoms": 920,
|
| 13 |
+
"num_aligned_atoms": 920,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.512249443207127,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.5020636320114136,
|
| 22 |
+
"cdr": 2.488755226135254,
|
| 23 |
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"framework": 0.6634586453437805,
|
| 24 |
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"cdr_fw_aligned": 3.0471365451812744,
|
| 25 |
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"cdr1": 0.2764422297477722,
|
| 26 |
+
"cdr2": 0.9216057062149048,
|
| 27 |
+
"cdr3": 2.4378840923309326,
|
| 28 |
+
"cdr1_fw_aligned": 0.4975050985813141,
|
| 29 |
+
"cdr2_fw_aligned": 1.132792353630066,
|
| 30 |
+
"cdr3_fw_aligned": 4.151274681091309,
|
| 31 |
+
"num_residues": 124,
|
| 32 |
+
"num_cdr_residues": 27
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 1.268426537513733,
|
| 37 |
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"cdr": 1.7608184814453125,
|
| 38 |
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"framework": 0.8828548789024353,
|
| 39 |
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"cdr_fw_aligned": 2.150869131088257,
|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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"cdr1_fw_aligned": 2.9352235794067383,
|
| 44 |
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"cdr2_fw_aligned": 0.45202046632766724,
|
| 45 |
+
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|
| 46 |
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"num_residues": 106,
|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 936,
|
| 51 |
+
"num_gt_atoms": 496,
|
| 52 |
+
"num_aligned_atoms": 496
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
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|
| 56 |
+
"num_gt_atoms": 424,
|
| 57 |
+
"num_aligned_atoms": 424
|
| 58 |
+
}
|
| 59 |
+
}
|
8smn_H_L_A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
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|
|
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|
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|
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|
|
|
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|
|
|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8smn_H_L_A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.3763853311538696,
|
| 7 |
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"cdr": 2.1706276535987854,
|
| 8 |
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"framework": 0.6649293005466461,
|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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"num_gt_atoms": 920,
|
| 13 |
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"num_aligned_atoms": 920,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.512249443207127,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.4931409358978271,
|
| 22 |
+
"cdr": 2.5641303062438965,
|
| 23 |
+
"framework": 0.5381259322166443,
|
| 24 |
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"cdr_fw_aligned": 3.1173415184020996,
|
| 25 |
+
"cdr1": 0.28499555587768555,
|
| 26 |
+
"cdr2": 0.9269343018531799,
|
| 27 |
+
"cdr3": 2.5222415924072266,
|
| 28 |
+
"cdr1_fw_aligned": 0.5117796659469604,
|
| 29 |
+
"cdr2_fw_aligned": 1.022803544998169,
|
| 30 |
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"cdr3_fw_aligned": 4.261714935302734,
|
| 31 |
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|
| 32 |
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"num_cdr_residues": 27
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
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"total": 1.259629726409912,
|
| 37 |
+
"cdr": 1.7771250009536743,
|
| 38 |
+
"framework": 0.791732668876648,
|
| 39 |
+
"cdr_fw_aligned": 2.282241106033325,
|
| 40 |
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"cdr1": 2.3635945320129395,
|
| 41 |
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"cdr2": 0.323494553565979,
|
| 42 |
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"cdr3": 1.0272811651229858,
|
| 43 |
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"cdr1_fw_aligned": 3.0498931407928467,
|
| 44 |
+
"cdr2_fw_aligned": 0.5208364129066467,
|
| 45 |
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"cdr3_fw_aligned": 2.011461019515991,
|
| 46 |
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"num_residues": 106,
|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 936,
|
| 51 |
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"num_gt_atoms": 496,
|
| 52 |
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"num_aligned_atoms": 496
|
| 53 |
+
},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 424
|
| 58 |
+
}
|
| 59 |
+
}
|
8sr0_Y_Z_X_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sr0_Y_Z_X_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.0983495712280273,
|
| 7 |
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"cdr": 1.1999501883983612,
|
| 8 |
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"framework": 0.9859265089035034,
|
| 9 |
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|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1960,
|
| 12 |
+
"num_gt_atoms": 911,
|
| 13 |
+
"num_aligned_atoms": 911,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.46479591836734696,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "Y",
|
| 21 |
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"total": 1.2389963865280151,
|
| 22 |
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"cdr": 1.4138665199279785,
|
| 23 |
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"framework": 1.148126482963562,
|
| 24 |
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|
| 25 |
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"cdr1": 0.5494498610496521,
|
| 26 |
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"cdr2": 0.2124129980802536,
|
| 27 |
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"cdr3": 1.4280686378479004,
|
| 28 |
+
"cdr1_fw_aligned": 1.190490484237671,
|
| 29 |
+
"cdr2_fw_aligned": 0.6501825451850891,
|
| 30 |
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"cdr3_fw_aligned": 2.2069180011749268,
|
| 31 |
+
"num_residues": 119,
|
| 32 |
+
"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "Z",
|
| 36 |
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"total": 0.9577027559280396,
|
| 37 |
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"cdr": 0.9860338568687439,
|
| 38 |
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"framework": 0.8237265348434448,
|
| 39 |
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"cdr_fw_aligned": 1.3358663320541382,
|
| 40 |
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|
| 41 |
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"cdr2": 0.4155704379081726,
|
| 42 |
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"cdr3": 0.5174596905708313,
|
| 43 |
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"cdr1_fw_aligned": 1.514915108680725,
|
| 44 |
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"cdr2_fw_aligned": 0.9548559784889221,
|
| 45 |
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"cdr3_fw_aligned": 1.2699111700057983,
|
| 46 |
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"num_residues": 109,
|
| 47 |
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"num_cdr_residues": 31
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 1008,
|
| 51 |
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"num_gt_atoms": 476,
|
| 52 |
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"num_aligned_atoms": 476
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 435,
|
| 57 |
+
"num_aligned_atoms": 435
|
| 58 |
+
}
|
| 59 |
+
}
|
8sxp_H_L_C_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
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|
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|
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|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sxp_H_L_C_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.178255617618561,
|
| 7 |
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"cdr": 0.961049348115921,
|
| 8 |
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"framework": 1.9977396130561829,
|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9977272727272727,
|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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"total": 2.3952250480651855,
|
| 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": 4.173758029937744,
|
| 29 |
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|
| 30 |
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|
| 31 |
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"num_residues": 227,
|
| 32 |
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|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
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"total": 1.961286187171936,
|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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"cdr3": 0.9112268686294556,
|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 908
|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 848,
|
| 57 |
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"num_aligned_atoms": 848
|
| 58 |
+
}
|
| 59 |
+
}
|
8t1g_G_I_CD_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8t1g_G_I_CD_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.436989277601242,
|
| 7 |
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"cdr": 2.3430139124393463,
|
| 8 |
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"framework": 0.9017125368118286,
|
| 9 |
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"cdr_fw_aligned": 3.306260824203491
|
| 10 |
+
},
|
| 11 |
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|
| 12 |
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|
| 13 |
+
"num_aligned_atoms": 1784,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9889135254988913,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "G",
|
| 21 |
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"total": 2.0188801288604736,
|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 1.0169881582260132,
|
| 29 |
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"cdr2_fw_aligned": 1.8670153617858887,
|
| 30 |
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"cdr3_fw_aligned": 6.451037883758545,
|
| 31 |
+
"num_residues": 229,
|
| 32 |
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"num_cdr_residues": 31
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "I",
|
| 36 |
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"total": 0.8550984263420105,
|
| 37 |
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"cdr": 0.7485142350196838,
|
| 38 |
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"framework": 0.7482508420944214,
|
| 39 |
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"cdr_fw_aligned": 1.4839482307434082,
|
| 40 |
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"cdr1": 0.7987724542617798,
|
| 41 |
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|
| 42 |
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|
| 43 |
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"cdr1_fw_aligned": 1.8945616483688354,
|
| 44 |
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"cdr2_fw_aligned": 0.6060118675231934,
|
| 45 |
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"cdr3_fw_aligned": 1.125563621520996,
|
| 46 |
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"num_residues": 217,
|
| 47 |
+
"num_cdr_residues": 33
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 928,
|
| 51 |
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"num_gt_atoms": 916,
|
| 52 |
+
"num_aligned_atoms": 916
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 876,
|
| 56 |
+
"num_gt_atoms": 868,
|
| 57 |
+
"num_aligned_atoms": 868
|
| 58 |
+
}
|
| 59 |
+
}
|
8t1g_G_I_CD_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8t1g_G_I_CD_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
+
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|
| 16 |
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|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
+
"chain_id": "G",
|
| 21 |
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"total": 1.9160338640213013,
|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
+
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|
| 29 |
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|
| 30 |
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|
| 31 |
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"num_residues": 229,
|
| 32 |
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"num_cdr_residues": 31
|
| 33 |
+
},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "I",
|
| 36 |
+
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|
| 37 |
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|
| 38 |
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"framework": 1.2502427101135254,
|
| 39 |
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"cdr_fw_aligned": 1.7282196283340454,
|
| 40 |
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"cdr1": 0.59055495262146,
|
| 41 |
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"cdr2": 0.3453899025917053,
|
| 42 |
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"cdr3": 0.5703682899475098,
|
| 43 |
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"cdr1_fw_aligned": 2.153554677963257,
|
| 44 |
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"cdr2_fw_aligned": 0.916612982749939,
|
| 45 |
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"cdr3_fw_aligned": 1.3954652547836304,
|
| 46 |
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"num_residues": 217,
|
| 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": 1600
|
| 58 |
+
}
|
| 59 |
+
}
|
8t9b_C_G_L_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
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|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8t9b_C_G_L_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 4.544187068939209,
|
| 7 |
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|
| 8 |
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"framework": 3.9789570569992065,
|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9303512458721105,
|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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|
| 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": 4.242906093597412,
|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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},
|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 1495
|
| 58 |
+
}
|
| 59 |
+
}
|
8t9b_C_G_L_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8t9b_C_G_L_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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|
| 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_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 |
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{
|
| 2 |
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"entry": "8tkc_G_H_AB_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "H",
|
| 36 |
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"total": 0.5873034000396729,
|
| 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 |
+
"num_aligned_atoms": 428
|
| 58 |
+
}
|
| 59 |
+
}
|
8tl3_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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|
|
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|
|
|
|
|
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|
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|
|
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|
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|
|
|
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|
|
|
|
|
|
|
|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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|
| 3 |
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|
| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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| 16 |
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| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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| 22 |
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| 23 |
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| 24 |
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| 25 |
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|
| 26 |
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| 27 |
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| 28 |
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| 29 |
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| 30 |
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| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 41 |
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| 42 |
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| 43 |
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| 44 |
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| 45 |
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| 46 |
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| 47 |
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| 48 |
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|
| 49 |
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| 50 |
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|
| 51 |
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| 52 |
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| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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}
|
| 59 |
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|
8tl5_G_H_AB_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
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|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
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|
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|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8tl5_G_H_AB_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 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 |
+
}
|
8tl5_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 |
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{
|
| 2 |
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"entry": "8tl5_G_H_AB_sample_3",
|
| 3 |
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|
| 4 |
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|
| 5 |
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|
| 6 |
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|
| 7 |
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| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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| 24 |
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|
| 25 |
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| 26 |
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| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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| 38 |
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|
| 39 |
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| 40 |
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| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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},
|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 428
|
| 58 |
+
}
|
| 59 |
+
}
|
8tnj_E_F_A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
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|
|
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|
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|
|
|
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|
|
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|
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|
|
|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 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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"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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"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": 760
|
| 58 |
+
}
|
| 59 |
+
}
|
8tnj_E_F_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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|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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| 3 |
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|
| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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| 10 |
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| 11 |
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| 12 |
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|
| 13 |
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| 14 |
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|
| 15 |
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| 16 |
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| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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| 22 |
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| 23 |
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| 24 |
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| 25 |
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| 26 |
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| 27 |
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| 28 |
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| 29 |
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| 30 |
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| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 41 |
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| 42 |
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| 43 |
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| 44 |
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| 45 |
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| 46 |
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| 47 |
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| 48 |
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|
| 49 |
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| 50 |
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| 51 |
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| 52 |
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| 53 |
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| 54 |
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| 55 |
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| 56 |
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| 57 |
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|
| 58 |
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|
| 59 |
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|
8tp7_D_F_A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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|
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|
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|
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|
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|
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|
|
|
|
|
|
|
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|
|
|
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|
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|
|
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|
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|
|
|
|
|
|
|
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|
|
|
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|
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|
|
|
|
|
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|
|
| 1 |
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{
|
| 2 |
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"entry": "8tp7_D_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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|
| 58 |
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}
|
| 59 |
+
}
|
8tp7_D_F_A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
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|
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|
|
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|
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|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8tp7_D_F_A_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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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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| 40 |
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| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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},
|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
+
}
|
| 59 |
+
}
|
8tx3_H_L_CD_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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|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8tx3_H_L_CD_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
+
},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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"total": 0.6706830859184265,
|
| 37 |
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|
| 38 |
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"framework": 0.6444222331047058,
|
| 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 |
+
}
|
8ty1_C_B_A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
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|
|
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|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8ty1_C_B_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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| 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": 816
|
| 58 |
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}
|
| 59 |
+
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|
8tzu_C__B_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
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|
|
|
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|
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|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tzu_C__B_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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"framework": 0.6714690327644348,
|
| 9 |
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"cdr_fw_aligned": 2.166832208633423
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 484,
|
| 12 |
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"num_gt_atoms": 480,
|
| 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 |
+
"chain_id": "C",
|
| 21 |
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"total": 1.1201251745224,
|
| 22 |
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|
| 23 |
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"framework": 0.6714690327644348,
|
| 24 |
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"cdr_fw_aligned": 2.166832208633423,
|
| 25 |
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"cdr1": 0.7072203755378723,
|
| 26 |
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"cdr2": 0.6835578083992004,
|
| 27 |
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|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 2.9255013465881348,
|
| 30 |
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"cdr3_fw_aligned": 2.2709462642669678,
|
| 31 |
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|
| 32 |
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"num_cdr_residues": 24
|
| 33 |
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|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
+
"num_gt_atoms": 480,
|
| 37 |
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"num_aligned_atoms": 480
|
| 38 |
+
}
|
| 39 |
+
}
|
8u31_C_B_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": "8u31_C_B_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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"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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"total": 2.683587074279785,
|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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"cdr3": 2.148681879043579,
|
| 28 |
+
"cdr1_fw_aligned": 5.382267475128174,
|
| 29 |
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|
| 30 |
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|
| 31 |
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"num_residues": 220,
|
| 32 |
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"num_cdr_residues": 31
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "B",
|
| 36 |
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"total": 2.531407356262207,
|
| 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 |
+
}
|
8u32_C_B_A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
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|
|
|
|
|
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|
|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8u32_C_B_A_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 3.148223042488098,
|
| 7 |
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"cdr": 2.0733695030212402,
|
| 8 |
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"framework": 2.884900689125061,
|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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"num_gt_atoms": 1788,
|
| 13 |
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"num_aligned_atoms": 1788,
|
| 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 |
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"full_coverage": true
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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|
| 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 |
+
}
|
8uky_H_L_C_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
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|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8uky_H_L_C_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
+
"total": 4.660972356796265,
|
| 7 |
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"cdr": 0.8259638249874115,
|
| 8 |
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"framework": 4.367280840873718,
|
| 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 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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|
| 22 |
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"cdr": 0.6733068227767944,
|
| 23 |
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"framework": 4.88940954208374,
|
| 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": 8.252073287963867,
|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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"cdr_fw_aligned": 7.1724090576171875,
|
| 40 |
+
"cdr1": 0.21547262370586395,
|
| 41 |
+
"cdr2": 0.16381573677062988,
|
| 42 |
+
"cdr3": 1.4116003513336182,
|
| 43 |
+
"cdr1_fw_aligned": 7.9845170974731445,
|
| 44 |
+
"cdr2_fw_aligned": 6.153566837310791,
|
| 45 |
+
"cdr3_fw_aligned": 6.811630725860596,
|
| 46 |
+
"num_residues": 212,
|
| 47 |
+
"num_cdr_residues": 26
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 876,
|
| 51 |
+
"num_gt_atoms": 856,
|
| 52 |
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"num_aligned_atoms": 856
|
| 53 |
+
},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
+
"num_gt_atoms": 848,
|
| 57 |
+
"num_aligned_atoms": 848
|
| 58 |
+
}
|
| 59 |
+
}
|
8ulj_H_L_AB_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
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|
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|
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|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8ulj_H_L_AB_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.9107386469841003,
|
| 7 |
+
"cdr": 0.8529835343360901,
|
| 8 |
+
"framework": 1.914020836353302,
|
| 9 |
+
"cdr_fw_aligned": 2.081063389778137
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1824,
|
| 12 |
+
"num_gt_atoms": 1704,
|
| 13 |
+
"num_aligned_atoms": 1704,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9342105263157895,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 2.3550968170166016,
|
| 22 |
+
"cdr": 0.9353798627853394,
|
| 23 |
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"framework": 2.3151516914367676,
|
| 24 |
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"cdr_fw_aligned": 2.964662551879883,
|
| 25 |
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"cdr1": 0.7221516370773315,
|
| 26 |
+
"cdr2": 0.3471081554889679,
|
| 27 |
+
"cdr3": 0.7717735171318054,
|
| 28 |
+
"cdr1_fw_aligned": 3.402777910232544,
|
| 29 |
+
"cdr2_fw_aligned": 3.5526790618896484,
|
| 30 |
+
"cdr3_fw_aligned": 2.2903635501861572,
|
| 31 |
+
"num_residues": 217,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 1.4663804769515991,
|
| 37 |
+
"cdr": 0.7705872058868408,
|
| 38 |
+
"framework": 1.5128899812698364,
|
| 39 |
+
"cdr_fw_aligned": 1.1974642276763916,
|
| 40 |
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"cdr1": 0.8886060118675232,
|
| 41 |
+
"cdr2": 0.2918321490287781,
|
| 42 |
+
"cdr3": 0.32838407158851624,
|
| 43 |
+
"cdr1_fw_aligned": 1.468259572982788,
|
| 44 |
+
"cdr2_fw_aligned": 1.151741623878479,
|
| 45 |
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"cdr3_fw_aligned": 0.8018049597740173,
|
| 46 |
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"num_residues": 209,
|
| 47 |
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"num_cdr_residues": 29
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 968,
|
| 51 |
+
"num_gt_atoms": 868,
|
| 52 |
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"num_aligned_atoms": 868
|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 856,
|
| 56 |
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"num_gt_atoms": 836,
|
| 57 |
+
"num_aligned_atoms": 836
|
| 58 |
+
}
|
| 59 |
+
}
|
8uo9_B__A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8uo9_B__A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
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"total": 1.699407935142517,
|
| 7 |
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"cdr": 1.965118169784546,
|
| 8 |
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"framework": 1.5081053972244263,
|
| 9 |
+
"cdr_fw_aligned": 2.383021593093872
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 568,
|
| 12 |
+
"num_gt_atoms": 476,
|
| 13 |
+
"num_aligned_atoms": 476,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.8380281690140845,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
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"total": 1.699407935142517,
|
| 22 |
+
"cdr": 1.965118169784546,
|
| 23 |
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"framework": 1.5081053972244263,
|
| 24 |
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"cdr_fw_aligned": 2.383021593093872,
|
| 25 |
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"cdr1": 2.2546937465667725,
|
| 26 |
+
"cdr2": 1.89607834815979,
|
| 27 |
+
"cdr3": 1.2403490543365479,
|
| 28 |
+
"cdr1_fw_aligned": 3.004901647567749,
|
| 29 |
+
"cdr2_fw_aligned": 2.966949462890625,
|
| 30 |
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"cdr3_fw_aligned": 1.4582865238189697,
|
| 31 |
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"num_residues": 119,
|
| 32 |
+
"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 568,
|
| 36 |
+
"num_gt_atoms": 476,
|
| 37 |
+
"num_aligned_atoms": 476
|
| 38 |
+
}
|
| 39 |
+
}
|
8uo9_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8uo9_B__A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 1060,
|
| 12 |
+
"num_gt_atoms": 587,
|
| 13 |
+
"num_aligned_atoms": 586,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.5528301886792453,
|
| 16 |
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"gt_coverage": 0.9982964224872232,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
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"total": 1.9646981954574585,
|
| 22 |
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"cdr": 2.0073726177215576,
|
| 23 |
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"framework": 1.8359321355819702,
|
| 24 |
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"cdr_fw_aligned": 2.5305569171905518,
|
| 25 |
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"cdr1": 2.3646152019500732,
|
| 26 |
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"cdr2": 1.6338824033737183,
|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 3.3939530849456787,
|
| 29 |
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"cdr2_fw_aligned": 2.79183030128479,
|
| 30 |
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"cdr3_fw_aligned": 1.6015441417694092,
|
| 31 |
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"num_residues": 119,
|
| 32 |
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"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
+
"num_gt_atoms": 587,
|
| 37 |
+
"num_aligned_atoms": 586
|
| 38 |
+
}
|
| 39 |
+
}
|
8uoa_B__A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
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|
|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8uoa_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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"num_pred_atoms": 1060,
|
| 12 |
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"num_gt_atoms": 587,
|
| 13 |
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"num_aligned_atoms": 586,
|
| 14 |
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|
| 15 |
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"pred_coverage": 0.5528301886792453,
|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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"chain_id": "B",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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"cdr1": 2.611233711242676,
|
| 26 |
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"cdr2": 1.9598090648651123,
|
| 27 |
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"cdr3": 1.4868603944778442,
|
| 28 |
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"cdr1_fw_aligned": 3.415558338165283,
|
| 29 |
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"cdr2_fw_aligned": 3.0154945850372314,
|
| 30 |
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"cdr3_fw_aligned": 1.6764823198318481,
|
| 31 |
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"num_residues": 119,
|
| 32 |
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"num_cdr_residues": 23
|
| 33 |
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},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
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"num_pred_atoms": 1060,
|
| 36 |
+
"num_gt_atoms": 587,
|
| 37 |
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"num_aligned_atoms": 586
|
| 38 |
+
}
|
| 39 |
+
}
|
8uoa_B__A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
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|
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|
|
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|
|
|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8uoa_B__A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.8184726238250732,
|
| 7 |
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"cdr": 1.9642606973648071,
|
| 8 |
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"framework": 1.6464697122573853,
|
| 9 |
+
"cdr_fw_aligned": 2.520090341567993
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 568,
|
| 12 |
+
"num_gt_atoms": 476,
|
| 13 |
+
"num_aligned_atoms": 476,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.8380281690140845,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
+
"total": 1.8184726238250732,
|
| 22 |
+
"cdr": 1.9642606973648071,
|
| 23 |
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"framework": 1.6464697122573853,
|
| 24 |
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"cdr_fw_aligned": 2.520090341567993,
|
| 25 |
+
"cdr1": 2.524160385131836,
|
| 26 |
+
"cdr2": 1.420766830444336,
|
| 27 |
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"cdr3": 1.1628215312957764,
|
| 28 |
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"cdr1_fw_aligned": 3.373587131500244,
|
| 29 |
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"cdr2_fw_aligned": 2.7971181869506836,
|
| 30 |
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"cdr3_fw_aligned": 1.574883222579956,
|
| 31 |
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"num_residues": 119,
|
| 32 |
+
"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 568,
|
| 36 |
+
"num_gt_atoms": 476,
|
| 37 |
+
"num_aligned_atoms": 476
|
| 38 |
+
}
|
| 39 |
+
}
|
8v4f_B_D_A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
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|
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| 1 |
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{
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| 2 |
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| 3 |
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| 4 |
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| 5 |
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| 6 |
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| 13 |
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| 14 |
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| 15 |
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| 16 |
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| 17 |
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| 18 |
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| 19 |
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| 20 |
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| 21 |
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| 22 |
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| 23 |
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| 24 |
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| 25 |
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| 26 |
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| 27 |
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| 28 |
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| 29 |
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| 30 |
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| 31 |
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| 32 |
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| 33 |
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| 34 |
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| 35 |
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| 36 |
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| 37 |
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| 38 |
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| 40 |
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| 41 |
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| 42 |
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| 48 |
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| 49 |
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| 51 |
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| 52 |
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| 53 |
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| 54 |
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| 55 |
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| 56 |
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| 57 |
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| 58 |
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| 59 |
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|
8v7o_H_L_A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
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|
| 1 |
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{
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| 2 |
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"entry": "8v7o_H_L_A_sample_0",
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| 3 |
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| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 10 |
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| 12 |
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| 13 |
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| 14 |
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| 15 |
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| 16 |
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| 17 |
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|
| 18 |
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| 19 |
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| 20 |
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| 21 |
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| 22 |
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| 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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| 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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|
8v7o_H_L_A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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|
|
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|
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|
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|
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|
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|
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|
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|
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|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8v7o_H_L_A_sample_2",
|
| 3 |
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|
| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 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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| 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 |
+
}
|
8v7o_H_L_A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
| 1 |
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{
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| 2 |
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|
| 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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| 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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| 44 |
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| 46 |
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|
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|
| 48 |
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|
| 49 |
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| 50 |
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| 53 |
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| 54 |
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|
| 57 |
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|
| 58 |
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}
|
| 59 |
+
}
|
8vqd_C_B_A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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|
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|
| 1 |
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{
|
| 2 |
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"entry": "8vqd_C_B_A_sample_0",
|
| 3 |
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|
| 4 |
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| 5 |
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| 6 |
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| 18 |
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| 19 |
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| 21 |
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| 31 |
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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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| 48 |
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| 49 |
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| 53 |
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| 58 |
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| 59 |
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