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- 8qq0_E_D_A_sample_0_rmsd_backbone.json +59 -0
- 8qz1_C__B_sample_4_rmsd_backbone.json +39 -0
- 8qz6_B__A_sample_1_rmsd.json +39 -0
- 8qz6_B__A_sample_3_rmsd_backbone.json +39 -0
- 8r9y_B_C_A_sample_2_rmsd_backbone.json +59 -0
- 8r9y_H_L_A_sample_4_rmsd.json +59 -0
- 8r9z_B_C_A_sample_2_rmsd_backbone.json +59 -0
- 8rh0_H_L_A_sample_1_rmsd.json +59 -0
- 8rrn_H_L_A_sample_2_rmsd_backbone.json +59 -0
- 8rvn_H_L_F_sample_0_rmsd.json +59 -0
- 8s0l_B__A_sample_4_rmsd.json +39 -0
- 8s0n_B__A_sample_0_rmsd_backbone.json +39 -0
- 8scx_H_L_C_sample_1_rmsd_backbone.json +59 -0
- 8sfx_D__B_sample_4_rmsd.json +39 -0
- 8sic_A_B_E_sample_4_rmsd_backbone.json +59 -0
- 8smk_B_C_A_sample_0_rmsd.json +59 -0
- 8smk_B_C_A_sample_1_rmsd.json +59 -0
- 8smp_H_L_A_sample_4_rmsd.json +59 -0
- 8sxp_H_L_C_sample_2_rmsd.json +59 -0
- 8sxp_H_L_C_sample_3_rmsd.json +59 -0
- 8t04_C_D_A_sample_4_rmsd_backbone.json +59 -0
- 8t06_C_D_A_sample_0_rmsd_backbone.json +59 -0
- 8t07_C_D_A_sample_4_rmsd_backbone.json +59 -0
- 8tco_F_G_C_sample_1_rmsd_backbone.json +59 -0
- 8tfn_H_L_B_sample_4_rmsd_backbone.json +59 -0
- 8tnj_D_C_A_sample_2_rmsd.json +59 -0
- 8tnj_E_F_A_sample_1_rmsd_backbone.json +59 -0
- 8tnn_H_G_C_sample_3_rmsd_backbone.json +59 -0
- 8tqi_H_L_B_sample_4_rmsd_backbone.json +59 -0
- 8ts0_H_L_A_sample_2_rmsd.json +59 -0
- 8ts0_H_L_A_sample_3_rmsd.json +59 -0
- 8tui_H_L_A_sample_0_rmsd_backbone.json +59 -0
- 8txp_H_L_AB_sample_1_rmsd.json +59 -0
- 8tzu_C__B_sample_2_rmsd_backbone.json +39 -0
- 8u1q_H_L_A_sample_1_rmsd_backbone.json +59 -0
- 8u5l_J_j_A_sample_2_rmsd.json +59 -0
- 8u5l_J_j_A_sample_3_rmsd.json +59 -0
- 8ukh_H_L_A_sample_0_rmsd.json +59 -0
- 8ukh_H_L_A_sample_2_rmsd_backbone.json +59 -0
- 8ulj_H_L_AB_sample_1_rmsd.json +59 -0
- 8uo9_B__A_sample_0_rmsd.json +39 -0
- 8uo9_B__A_sample_1_rmsd.json +39 -0
- 8uo9_B__A_sample_1_rmsd_backbone.json +39 -0
- 8uoa_B__A_sample_2_rmsd_backbone.json +39 -0
- 8uwz_C_D_F_sample_4_rmsd.json +59 -0
- 8vuy_H_L_A_sample_3_rmsd.json +59 -0
- 8vvk_D_C_B_sample_3_rmsd_backbone.json +59 -0
- 8vww_B_C_A_sample_2_rmsd_backbone.json +59 -0
- 8wej_H_L_B_sample_2_rmsd.json +59 -0
- 8wej_H_L_B_sample_3_rmsd.json +59 -0
8qq0_E_D_A_sample_0_rmsd_backbone.json
ADDED
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{
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"entry": "8qq0_E_D_A_sample_0",
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"success": true,
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"error": null,
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"rmsd": {
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"total": 1.570271074771881,
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"cdr": 2.0029574036598206,
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"framework": 1.1448407769203186,
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"cdr_fw_aligned": 2.4698245525360107
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"num_pred_atoms": 1780,
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"num_gt_atoms": 924,
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"num_aligned_atoms": 924,
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"alignment_coverage": {
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"pred_coverage": 0.5191011235955056,
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"gt_coverage": 1.0,
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"full_coverage": false
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"heavy_chain": {
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"chain_id": "E",
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"total": 1.0936270952224731,
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"cdr": 1.0536142587661743,
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"framework": 0.9597033262252808,
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"cdr_fw_aligned": 1.6289050579071045,
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"cdr1": 0.5905587673187256,
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"cdr2": 0.3921470642089844,
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"cdr3": 1.0887172222137451,
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"cdr1_fw_aligned": 1.4775679111480713,
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"cdr2_fw_aligned": 0.8613973259925842,
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| 30 |
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"cdr3_fw_aligned": 1.9464266300201416,
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"num_residues": 120,
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"num_cdr_residues": 26
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},
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"light_chain": {
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"chain_id": "D",
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"total": 2.046915054321289,
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"cdr": 2.952300548553467,
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| 38 |
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"framework": 1.3299782276153564,
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"cdr_fw_aligned": 3.310744047164917,
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"cdr1": 3.9162161350250244,
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"cdr2": 0.44329535961151123,
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"cdr3": 0.8988775610923767,
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"cdr1_fw_aligned": 4.467113018035889,
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| 44 |
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"cdr2_fw_aligned": 0.961297869682312,
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"cdr3_fw_aligned": 2.3227124214172363,
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"num_residues": 111,
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"num_cdr_residues": 31
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"heavy_chain_atom_counts": {
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"num_pred_atoms": 916,
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| 51 |
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"num_gt_atoms": 480,
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"num_aligned_atoms": 480
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"light_chain_atom_counts": {
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"num_pred_atoms": 864,
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"num_aligned_atoms": 444
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}
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}
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8qz1_C__B_sample_4_rmsd_backbone.json
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{
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"entry": "8qz1_C__B_sample_4",
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"success": true,
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"error": null,
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"rmsd": {
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"total": 2.04931378364563,
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| 7 |
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"cdr": 1.9499388933181763,
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| 8 |
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"framework": 1.7523655891418457,
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| 9 |
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"cdr_fw_aligned": 3.3589444160461426
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},
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| 11 |
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"num_pred_atoms": 544,
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| 12 |
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"num_gt_atoms": 516,
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| 13 |
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"num_aligned_atoms": 516,
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| 14 |
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"alignment_coverage": {
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| 15 |
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"pred_coverage": 0.9485294117647058,
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| 16 |
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"gt_coverage": 1.0,
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| 17 |
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"full_coverage": false
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| 18 |
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},
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| 19 |
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"heavy_chain": {
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| 20 |
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"chain_id": "C",
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| 21 |
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"total": 2.04931378364563,
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| 22 |
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"cdr": 1.9499388933181763,
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| 23 |
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"framework": 1.7523655891418457,
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| 24 |
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"cdr_fw_aligned": 3.3589444160461426,
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| 25 |
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"cdr1": 2.2657840251922607,
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| 26 |
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"cdr2": 0.3986522853374481,
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| 27 |
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"cdr3": 0.8183098435401917,
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| 28 |
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"cdr1_fw_aligned": 5.491000652313232,
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| 29 |
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"cdr2_fw_aligned": 2.629487991333008,
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| 30 |
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"cdr3_fw_aligned": 2.248291254043579,
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| 31 |
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"num_residues": 129,
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| 32 |
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"num_cdr_residues": 30
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| 33 |
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},
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| 34 |
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"heavy_chain_atom_counts": {
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| 35 |
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"num_pred_atoms": 544,
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| 36 |
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"num_gt_atoms": 516,
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| 37 |
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"num_aligned_atoms": 516
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| 38 |
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}
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| 39 |
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}
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8qz6_B__A_sample_1_rmsd.json
ADDED
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@@ -0,0 +1,39 @@
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{
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"entry": "8qz6_B__A_sample_1",
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| 3 |
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"success": true,
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| 4 |
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"error": null,
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| 5 |
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"rmsd": {
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| 6 |
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"total": 1.423008680343628,
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"cdr": 1.9963912963867188,
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"framework": 1.1103096008300781,
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"cdr_fw_aligned": 2.341472625732422
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| 10 |
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},
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"num_pred_atoms": 1016,
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| 12 |
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"num_gt_atoms": 913,
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| 13 |
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"num_aligned_atoms": 862,
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| 14 |
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"alignment_coverage": {
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| 15 |
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"pred_coverage": 0.8484251968503937,
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| 16 |
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"gt_coverage": 0.9441401971522454,
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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": "B",
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| 21 |
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"total": 1.423008680343628,
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| 22 |
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"cdr": 1.9963912963867188,
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"framework": 1.1103096008300781,
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"cdr_fw_aligned": 2.341472625732422,
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"cdr1": 1.8544524908065796,
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"cdr2": 0.5599849224090576,
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"cdr3": 1.7516106367111206,
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| 28 |
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"cdr1_fw_aligned": 2.056086540222168,
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"cdr2_fw_aligned": 0.7375802397727966,
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| 30 |
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"cdr3_fw_aligned": 2.8597114086151123,
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| 31 |
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"num_residues": 124,
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| 32 |
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"num_cdr_residues": 30
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| 33 |
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| 34 |
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"heavy_chain_atom_counts": {
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"num_pred_atoms": 1016,
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"num_gt_atoms": 913,
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"num_aligned_atoms": 862
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| 38 |
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}
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| 39 |
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}
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8qz6_B__A_sample_3_rmsd_backbone.json
ADDED
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{
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"entry": "8qz6_B__A_sample_3",
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| 3 |
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"success": true,
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| 4 |
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"error": null,
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| 5 |
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"rmsd": {
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| 6 |
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"total": 1.1994678974151611,
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| 8 |
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"cdr_fw_aligned": 2.2790141105651855
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| 10 |
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"num_pred_atoms": 544,
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| 12 |
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"num_gt_atoms": 496,
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| 13 |
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"num_aligned_atoms": 496,
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| 14 |
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"alignment_coverage": {
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| 15 |
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"pred_coverage": 0.9117647058823529,
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| 18 |
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"heavy_chain": {
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| 20 |
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"chain_id": "B",
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| 21 |
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"total": 1.1994678974151611,
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"cdr": 1.8853009939193726,
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"framework": 0.6900384426116943,
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| 25 |
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"cdr1": 0.4629470109939575,
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"cdr2": 0.2772959768772125,
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"cdr3": 1.8015683889389038,
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"cdr1_fw_aligned": 1.009908676147461,
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"cdr2_fw_aligned": 0.4658428430557251,
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| 30 |
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"cdr3_fw_aligned": 2.944349765777588,
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| 31 |
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"num_residues": 124,
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| 32 |
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"num_cdr_residues": 30
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| 33 |
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| 34 |
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"heavy_chain_atom_counts": {
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| 35 |
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"num_pred_atoms": 544,
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| 36 |
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| 37 |
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| 38 |
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}
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| 39 |
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}
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8r9y_B_C_A_sample_2_rmsd_backbone.json
ADDED
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{
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"entry": "8r9y_B_C_A_sample_2",
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"success": true,
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| 4 |
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"error": null,
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| 5 |
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"rmsd": {
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| 6 |
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"total": 1.6592657566070557,
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| 7 |
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"cdr": 1.667305737733841,
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| 8 |
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"framework": 1.504037618637085,
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"cdr_fw_aligned": 2.6549647450447083
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| 10 |
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},
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| 11 |
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"num_pred_atoms": 1708,
|
| 12 |
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"num_gt_atoms": 1708,
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| 13 |
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| 14 |
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|
| 15 |
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| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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| 28 |
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|
| 29 |
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| 30 |
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| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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"chain_id": "C",
|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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| 41 |
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| 42 |
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|
| 43 |
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| 44 |
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| 45 |
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| 46 |
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| 47 |
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| 48 |
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| 49 |
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| 50 |
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|
| 51 |
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| 52 |
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| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 836
|
| 58 |
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|
| 59 |
+
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|
8r9y_H_L_A_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
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|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8r9y_H_L_A_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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| 6 |
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|
| 7 |
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| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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"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 |
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}
|
8r9z_B_C_A_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
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|
|
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|
|
|
|
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|
|
|
|
|
|
|
|
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|
|
|
|
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|
|
|
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|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8r9z_B_C_A_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"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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"num_aligned_atoms": 836
|
| 58 |
+
}
|
| 59 |
+
}
|
8rh0_H_L_A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
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|
|
|
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|
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|
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|
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|
|
|
|
|
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|
|
|
|
|
|
|
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|
|
|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
|
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|
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|
|
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|
|
|
|
|
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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": "8rh0_H_L_A_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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| 8 |
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| 9 |
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| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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|
| 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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|
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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 |
+
}
|
8rrn_H_L_A_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
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|
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|
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|
|
|
|
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|
|
|
|
|
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|
|
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|
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|
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|
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|
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|
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|
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|
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|
|
|
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|
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|
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|
|
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|
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|
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|
|
|
|
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|
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|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8rrn_H_L_A_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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"total": 3.703078508377075,
|
| 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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"cdr2_fw_aligned": 4.960966110229492,
|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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"chain_id": "L",
|
| 36 |
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| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 41 |
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| 42 |
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| 43 |
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|
| 44 |
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| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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|
| 59 |
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|
8rvn_H_L_F_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
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|
|
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|
|
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|
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|
|
|
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|
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|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8rvn_H_L_F_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
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| 6 |
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|
| 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": "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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"cdr2_fw_aligned": 0.9429399371147156,
|
| 45 |
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"cdr3_fw_aligned": 4.216839790344238,
|
| 46 |
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|
| 47 |
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"num_cdr_residues": 28
|
| 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": 739
|
| 58 |
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}
|
| 59 |
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|
8s0l_B__A_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8s0l_B__A_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.7692824602127075,
|
| 7 |
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"cdr": 2.996619701385498,
|
| 8 |
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"framework": 1.12826669216156,
|
| 9 |
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"cdr_fw_aligned": 3.2432796955108643
|
| 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": 0.8610855565777369,
|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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|
| 20 |
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"chain_id": "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 |
+
}
|
8s0n_B__A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8s0n_B__A_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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| 6 |
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"total": 1.2137174606323242,
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| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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|
| 22 |
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"cdr": 2.005511522293091,
|
| 23 |
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"framework": 0.6154885292053223,
|
| 24 |
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"cdr_fw_aligned": 2.3028550148010254,
|
| 25 |
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"cdr1": 0.4460865557193756,
|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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"num_gt_atoms": 520,
|
| 37 |
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"num_aligned_atoms": 520
|
| 38 |
+
}
|
| 39 |
+
}
|
8scx_H_L_C_sample_1_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": "8scx_H_L_C_sample_1",
|
| 3 |
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|
| 4 |
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"error": null,
|
| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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"total": 0.5279383659362793,
|
| 37 |
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|
| 38 |
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"framework": 0.46124467253685,
|
| 39 |
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"cdr_fw_aligned": 0.7433649897575378,
|
| 40 |
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"cdr1": 0.5927634835243225,
|
| 41 |
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"cdr2": 0.35658571124076843,
|
| 42 |
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"cdr3": 0.2502874732017517,
|
| 43 |
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"cdr1_fw_aligned": 0.8855171203613281,
|
| 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 |
+
}
|
8sfx_D__B_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
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|
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|
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|
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|
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|
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|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8sfx_D__B_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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"framework": 1.1532844305038452,
|
| 9 |
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"cdr_fw_aligned": 1.050662875175476
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 1044,
|
| 12 |
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"num_gt_atoms": 902,
|
| 13 |
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|
| 14 |
+
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|
| 15 |
+
"pred_coverage": 0.8160919540229885,
|
| 16 |
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"gt_coverage": 0.9445676274944568,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "D",
|
| 21 |
+
"total": 1.1263641119003296,
|
| 22 |
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"cdr": 0.7985004186630249,
|
| 23 |
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"framework": 1.1532844305038452,
|
| 24 |
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"cdr_fw_aligned": 1.050662875175476,
|
| 25 |
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"cdr1": 0.41559264063835144,
|
| 26 |
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"cdr2": 0.5959093570709229,
|
| 27 |
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"cdr3": 0.4307284951210022,
|
| 28 |
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"cdr1_fw_aligned": 1.6524096727371216,
|
| 29 |
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"cdr2_fw_aligned": 1.217547059059143,
|
| 30 |
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"cdr3_fw_aligned": 0.7777500152587891,
|
| 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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|
| 36 |
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"num_gt_atoms": 902,
|
| 37 |
+
"num_aligned_atoms": 852
|
| 38 |
+
}
|
| 39 |
+
}
|
8sic_A_B_E_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sic_A_B_E_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 6.082950830459595,
|
| 7 |
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"cdr": 0.499824658036232,
|
| 8 |
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"framework": 5.790092706680298,
|
| 9 |
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"cdr_fw_aligned": 8.887193202972412
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 1748,
|
| 12 |
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"num_gt_atoms": 1748,
|
| 13 |
+
"num_aligned_atoms": 1748,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 1.0,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "A",
|
| 21 |
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"total": 6.592814922332764,
|
| 22 |
+
"cdr": 0.4684894382953644,
|
| 23 |
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"framework": 6.424543857574463,
|
| 24 |
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"cdr_fw_aligned": 8.661887168884277,
|
| 25 |
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"cdr1": 0.3365916609764099,
|
| 26 |
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|
| 27 |
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"cdr3": 0.460258424282074,
|
| 28 |
+
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|
| 29 |
+
"cdr2_fw_aligned": 9.599483489990234,
|
| 30 |
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"cdr3_fw_aligned": 6.013325214385986,
|
| 31 |
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"num_residues": 222,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "B",
|
| 36 |
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"total": 5.573086738586426,
|
| 37 |
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"cdr": 0.5311598777770996,
|
| 38 |
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"framework": 5.155641555786133,
|
| 39 |
+
"cdr_fw_aligned": 9.112499237060547,
|
| 40 |
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"cdr1": 0.4315788149833679,
|
| 41 |
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"cdr2": 0.3674778938293457,
|
| 42 |
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"cdr3": 0.30206355452537537,
|
| 43 |
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"cdr1_fw_aligned": 10.107745170593262,
|
| 44 |
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"cdr2_fw_aligned": 7.684427261352539,
|
| 45 |
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"cdr3_fw_aligned": 8.59974193572998,
|
| 46 |
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"num_residues": 215,
|
| 47 |
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"num_cdr_residues": 32
|
| 48 |
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},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 888,
|
| 51 |
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"num_gt_atoms": 888,
|
| 52 |
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"num_aligned_atoms": 888
|
| 53 |
+
},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
+
"num_gt_atoms": 860,
|
| 57 |
+
"num_aligned_atoms": 860
|
| 58 |
+
}
|
| 59 |
+
}
|
8smk_B_C_A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8smk_B_C_A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 4.386908769607544,
|
| 7 |
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"cdr": 2.032864987850189,
|
| 8 |
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"framework": 4.172804236412048,
|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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"num_gt_atoms": 3297,
|
| 13 |
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"num_aligned_atoms": 3192,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9749541844838119,
|
| 16 |
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"gt_coverage": 0.9681528662420382,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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"total": 4.559051513671875,
|
| 22 |
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"cdr": 1.6874064207077026,
|
| 23 |
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"framework": 4.382680892944336,
|
| 24 |
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"cdr_fw_aligned": 6.529152870178223,
|
| 25 |
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|
| 26 |
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"cdr2": 0.49459025263786316,
|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 7.836615085601807,
|
| 29 |
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"cdr2_fw_aligned": 7.183282375335693,
|
| 30 |
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"cdr3_fw_aligned": 5.301121234893799,
|
| 31 |
+
"num_residues": 221,
|
| 32 |
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"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "C",
|
| 36 |
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|
| 37 |
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|
| 38 |
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"framework": 3.9629275798797607,
|
| 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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"num_aligned_atoms": 1592
|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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"num_gt_atoms": 1644,
|
| 57 |
+
"num_aligned_atoms": 1600
|
| 58 |
+
}
|
| 59 |
+
}
|
8smk_B_C_A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8smk_B_C_A_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 4.560433387756348,
|
| 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 |
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"chain_id": "B",
|
| 21 |
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"total": 4.993414878845215,
|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
+
"light_chain": {
|
| 35 |
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|
| 36 |
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"total": 4.1274518966674805,
|
| 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": 1600
|
| 58 |
+
}
|
| 59 |
+
}
|
8smp_H_L_A_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
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|
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|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8smp_H_L_A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.6196027994155884,
|
| 7 |
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"cdr": 2.4003000259399414,
|
| 8 |
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"framework": 1.2952768802642822,
|
| 9 |
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"cdr_fw_aligned": 2.6255849599838257
|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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"num_aligned_atoms": 1648,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.4975845410628019,
|
| 16 |
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"gt_coverage": 0.9515011547344111,
|
| 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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"cdr3_fw_aligned": 3.573425769805908,
|
| 31 |
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|
| 32 |
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"num_cdr_residues": 27
|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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"total": 1.7023128271102905,
|
| 37 |
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"cdr": 2.302661895751953,
|
| 38 |
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"framework": 1.4524508714675903,
|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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"cdr3": 1.7670577764511108,
|
| 43 |
+
"cdr1_fw_aligned": 3.2176871299743652,
|
| 44 |
+
"cdr2_fw_aligned": 0.7198925018310547,
|
| 45 |
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"cdr3_fw_aligned": 2.2642571926116943,
|
| 46 |
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"num_residues": 106,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 1698,
|
| 51 |
+
"num_gt_atoms": 937,
|
| 52 |
+
"num_aligned_atoms": 885
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 1614,
|
| 56 |
+
"num_gt_atoms": 795,
|
| 57 |
+
"num_aligned_atoms": 763
|
| 58 |
+
}
|
| 59 |
+
}
|
8sxp_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sxp_H_L_C_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.62933349609375,
|
| 7 |
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"cdr": 1.3252171576023102,
|
| 8 |
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"framework": 2.4262137413024902,
|
| 9 |
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"cdr_fw_aligned": 4.428352236747742
|
| 10 |
+
},
|
| 11 |
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|
| 12 |
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"num_gt_atoms": 3324,
|
| 13 |
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"num_aligned_atoms": 3225,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9898710865561694,
|
| 16 |
+
"gt_coverage": 0.970216606498195,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
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"total": 2.857722282409668,
|
| 22 |
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"cdr": 1.686519742012024,
|
| 23 |
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"framework": 2.5612285137176514,
|
| 24 |
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|
| 25 |
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"cdr1": 1.9896610975265503,
|
| 26 |
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"cdr2": 0.5442239046096802,
|
| 27 |
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"cdr3": 1.5402506589889526,
|
| 28 |
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"cdr1_fw_aligned": 5.096207618713379,
|
| 29 |
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"cdr2_fw_aligned": 4.898478984832764,
|
| 30 |
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"cdr3_fw_aligned": 5.3465657234191895,
|
| 31 |
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"num_residues": 227,
|
| 32 |
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"num_cdr_residues": 31
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 2.400944709777832,
|
| 37 |
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"cdr": 0.9639145731925964,
|
| 38 |
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"framework": 2.291198968887329,
|
| 39 |
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"cdr_fw_aligned": 3.646554708480835,
|
| 40 |
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"cdr1": 0.8534203171730042,
|
| 41 |
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"cdr2": 0.33801352977752686,
|
| 42 |
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"cdr3": 1.2164490222930908,
|
| 43 |
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"cdr1_fw_aligned": 3.9807353019714355,
|
| 44 |
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"cdr2_fw_aligned": 3.0963175296783447,
|
| 45 |
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"cdr3_fw_aligned": 3.5218772888183594,
|
| 46 |
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"num_residues": 212,
|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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"num_gt_atoms": 1695,
|
| 52 |
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"num_aligned_atoms": 1631
|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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"num_gt_atoms": 1629,
|
| 57 |
+
"num_aligned_atoms": 1594
|
| 58 |
+
}
|
| 59 |
+
}
|
8sxp_H_L_C_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
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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 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 3.611392617225647,
|
| 7 |
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|
| 8 |
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"framework": 3.3755362033843994,
|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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"num_gt_atoms": 3324,
|
| 13 |
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"num_aligned_atoms": 3225,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9898710865561694,
|
| 16 |
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"gt_coverage": 0.970216606498195,
|
| 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": 3.9214718341827393,
|
| 22 |
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"cdr": 1.7413535118103027,
|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 31
|
| 33 |
+
},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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"cdr3": 1.2205992937088013,
|
| 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": 1594
|
| 58 |
+
}
|
| 59 |
+
}
|
8t04_C_D_A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
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|
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|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8t04_C_D_A_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 25 |
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| 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 |
+
}
|
8t06_C_D_A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8t06_C_D_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": 0.6652462780475616,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 1.0,
|
| 16 |
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|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "C",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
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| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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|
| 36 |
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"total": 0.6422122716903687,
|
| 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 |
+
"num_gt_atoms": 480,
|
| 52 |
+
"num_aligned_atoms": 480
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 428,
|
| 56 |
+
"num_gt_atoms": 428,
|
| 57 |
+
"num_aligned_atoms": 428
|
| 58 |
+
}
|
| 59 |
+
}
|
8t07_C_D_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": "8t07_C_D_A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
+
"total": 0.709531307220459,
|
| 7 |
+
"cdr": 0.5367967635393143,
|
| 8 |
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"framework": 0.7071022689342499,
|
| 9 |
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"cdr_fw_aligned": 0.8167069852352142
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 908,
|
| 12 |
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"num_gt_atoms": 908,
|
| 13 |
+
"num_aligned_atoms": 908,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 1.0,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
+
"total": 0.768690824508667,
|
| 22 |
+
"cdr": 0.647617757320404,
|
| 23 |
+
"framework": 0.7220010161399841,
|
| 24 |
+
"cdr_fw_aligned": 1.0735787153244019,
|
| 25 |
+
"cdr1": 0.3697965443134308,
|
| 26 |
+
"cdr2": 0.2147064507007599,
|
| 27 |
+
"cdr3": 0.7070890665054321,
|
| 28 |
+
"cdr1_fw_aligned": 0.9639432430267334,
|
| 29 |
+
"cdr2_fw_aligned": 0.9061231017112732,
|
| 30 |
+
"cdr3_fw_aligned": 1.232654333114624,
|
| 31 |
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"num_residues": 120,
|
| 32 |
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"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "D",
|
| 36 |
+
"total": 0.650371789932251,
|
| 37 |
+
"cdr": 0.4259757697582245,
|
| 38 |
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"framework": 0.6922035217285156,
|
| 39 |
+
"cdr_fw_aligned": 0.5598352551460266,
|
| 40 |
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"cdr1": 0.2236935943365097,
|
| 41 |
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"cdr2": 0.24361948668956757,
|
| 42 |
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"cdr3": 0.5272324085235596,
|
| 43 |
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"cdr1_fw_aligned": 0.337819904088974,
|
| 44 |
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"cdr2_fw_aligned": 0.472709596157074,
|
| 45 |
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"cdr3_fw_aligned": 0.7918182611465454,
|
| 46 |
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"num_residues": 107,
|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 480,
|
| 51 |
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"num_gt_atoms": 480,
|
| 52 |
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"num_aligned_atoms": 480
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
+
"num_gt_atoms": 428,
|
| 57 |
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"num_aligned_atoms": 428
|
| 58 |
+
}
|
| 59 |
+
}
|
8tco_F_G_C_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
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|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tco_F_G_C_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
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"total": 2.20796075463295,
|
| 7 |
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"cdr": 3.432374656200409,
|
| 8 |
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"framework": 0.7256322801113129,
|
| 9 |
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"cdr_fw_aligned": 4.323938965797424
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1852,
|
| 12 |
+
"num_gt_atoms": 936,
|
| 13 |
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"num_aligned_atoms": 936,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.5053995680345572,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "F",
|
| 21 |
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"total": 3.759885549545288,
|
| 22 |
+
"cdr": 6.235570907592773,
|
| 23 |
+
"framework": 0.8305307626724243,
|
| 24 |
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"cdr_fw_aligned": 7.859710693359375,
|
| 25 |
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"cdr1": 0.621674656867981,
|
| 26 |
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"cdr2": 0.45107582211494446,
|
| 27 |
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"cdr3": 5.504275321960449,
|
| 28 |
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"cdr1_fw_aligned": 0.9100000262260437,
|
| 29 |
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"cdr2_fw_aligned": 8.27645206451416,
|
| 30 |
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"cdr3_fw_aligned": 9.061222076416016,
|
| 31 |
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"num_residues": 128,
|
| 32 |
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"num_cdr_residues": 32
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "G",
|
| 36 |
+
"total": 0.6560359597206116,
|
| 37 |
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"cdr": 0.6291784048080444,
|
| 38 |
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"framework": 0.6207337975502014,
|
| 39 |
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"cdr_fw_aligned": 0.7881672382354736,
|
| 40 |
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"cdr1": 0.6174317598342896,
|
| 41 |
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"cdr2": 0.7445329427719116,
|
| 42 |
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"cdr3": 0.28346124291419983,
|
| 43 |
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"cdr1_fw_aligned": 0.7533033490180969,
|
| 44 |
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"cdr2_fw_aligned": 1.0737664699554443,
|
| 45 |
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"cdr3_fw_aligned": 0.5550799369812012,
|
| 46 |
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"num_residues": 106,
|
| 47 |
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"num_cdr_residues": 28
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 916,
|
| 51 |
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"num_gt_atoms": 512,
|
| 52 |
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"num_aligned_atoms": 512
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 936,
|
| 56 |
+
"num_gt_atoms": 424,
|
| 57 |
+
"num_aligned_atoms": 424
|
| 58 |
+
}
|
| 59 |
+
}
|
8tfn_H_L_B_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8tfn_H_L_B_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 3.0458141565322876,
|
| 7 |
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"cdr": 1.148032233119011,
|
| 8 |
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"framework": 2.8863826990127563,
|
| 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 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9020501138952164,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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"total": 3.0810306072235107,
|
| 22 |
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"cdr": 1.8956981897354126,
|
| 23 |
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"framework": 2.949028730392456,
|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 4.4070143699646,
|
| 30 |
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"cdr3_fw_aligned": 3.462587356567383,
|
| 31 |
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"num_residues": 197,
|
| 32 |
+
"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
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"total": 3.0105977058410645,
|
| 37 |
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"cdr": 0.40036627650260925,
|
| 38 |
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"framework": 2.8237366676330566,
|
| 39 |
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"cdr_fw_aligned": 4.782542705535889,
|
| 40 |
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|
| 41 |
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|
| 42 |
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"cdr3": 0.28931427001953125,
|
| 43 |
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"cdr1_fw_aligned": 5.371089458465576,
|
| 44 |
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"cdr2_fw_aligned": 4.7957682609558105,
|
| 45 |
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"cdr3_fw_aligned": 3.9332258701324463,
|
| 46 |
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"num_residues": 199,
|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 900,
|
| 51 |
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"num_gt_atoms": 788,
|
| 52 |
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"num_aligned_atoms": 788
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 796
|
| 58 |
+
}
|
| 59 |
+
}
|
8tnj_D_C_A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tnj_D_C_A_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.1861284971237183,
|
| 7 |
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"cdr": 1.5460361242294312,
|
| 8 |
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"framework": 1.1060813069343567,
|
| 9 |
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"cdr_fw_aligned": 1.7692307233810425
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 3302,
|
| 12 |
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|
| 13 |
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"num_aligned_atoms": 3112,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9424591156874621,
|
| 16 |
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"gt_coverage": 0.9670602858918583,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "D",
|
| 21 |
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"total": 1.1640568971633911,
|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 2.5831458568573,
|
| 30 |
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"cdr3_fw_aligned": 1.5297513008117676,
|
| 31 |
+
"num_residues": 213,
|
| 32 |
+
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|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "C",
|
| 36 |
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"total": 1.2082000970840454,
|
| 37 |
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"cdr": 1.642043113708496,
|
| 38 |
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"framework": 1.1244568824768066,
|
| 39 |
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"cdr_fw_aligned": 1.7795050144195557,
|
| 40 |
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"cdr1": 0.6180577278137207,
|
| 41 |
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"cdr2": 0.7113235592842102,
|
| 42 |
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"cdr3": 2.1245193481445312,
|
| 43 |
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"cdr1_fw_aligned": 1.0571861267089844,
|
| 44 |
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"cdr2_fw_aligned": 1.0555012226104736,
|
| 45 |
+
"cdr3_fw_aligned": 2.472276210784912,
|
| 46 |
+
"num_residues": 212,
|
| 47 |
+
"num_cdr_residues": 29
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 1684,
|
| 51 |
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"num_gt_atoms": 1602,
|
| 52 |
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"num_aligned_atoms": 1544
|
| 53 |
+
},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 1618,
|
| 56 |
+
"num_gt_atoms": 1616,
|
| 57 |
+
"num_aligned_atoms": 1568
|
| 58 |
+
}
|
| 59 |
+
}
|
8tnj_E_F_A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
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|
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|
|
|
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|
|
|
|
|
|
|
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|
|
|
|
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|
|
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|
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|
|
|
|
|
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|
|
|
|
|
|
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|
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|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 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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}
|
8tnn_H_G_C_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
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|
|
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|
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|
|
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|
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|
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|
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|
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|
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|
|
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|
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|
|
|
|
|
|
|
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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": "8tnn_H_G_C_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 41 |
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| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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}
|
| 59 |
+
}
|
8tqi_H_L_B_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
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|
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|
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|
|
|
|
|
|
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|
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|
|
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|
|
|
|
|
|
|
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|
|
|
|
|
|
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|
|
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|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8tqi_H_L_B_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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| 24 |
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|
| 25 |
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| 26 |
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| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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},
|
| 49 |
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"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": 444
|
| 58 |
+
}
|
| 59 |
+
}
|
8ts0_H_L_A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
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|
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|
|
|
|
|
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|
|
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|
|
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|
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|
|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
|
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|
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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": "8ts0_H_L_A_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
+
"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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"total": 2.6762356758117676,
|
| 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": 3.6693687438964844,
|
| 45 |
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|
| 46 |
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"num_residues": 212,
|
| 47 |
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"num_cdr_residues": 28
|
| 48 |
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},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 1726,
|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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"num_gt_atoms": 1637,
|
| 57 |
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"num_aligned_atoms": 1588
|
| 58 |
+
}
|
| 59 |
+
}
|
8ts0_H_L_A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8ts0_H_L_A_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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"framework": 2.054537057876587,
|
| 9 |
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|
| 10 |
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|
| 11 |
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"num_pred_atoms": 3338,
|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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"pred_coverage": 0.9460754943079689,
|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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"total": 2.3067963123321533,
|
| 22 |
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"cdr": 1.441964030265808,
|
| 23 |
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"framework": 2.167285680770874,
|
| 24 |
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|
| 25 |
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|
| 26 |
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"cdr2": 1.0087522268295288,
|
| 27 |
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"cdr3": 1.7717735767364502,
|
| 28 |
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"cdr1_fw_aligned": 4.021008014678955,
|
| 29 |
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"cdr2_fw_aligned": 3.791869878768921,
|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 26
|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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"total": 2.0527615547180176,
|
| 37 |
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|
| 38 |
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"framework": 1.9417884349822998,
|
| 39 |
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"cdr_fw_aligned": 3.2264363765716553,
|
| 40 |
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"cdr1": 0.816033124923706,
|
| 41 |
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|
| 42 |
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"cdr3": 0.46740201115608215,
|
| 43 |
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"cdr1_fw_aligned": 3.462538480758667,
|
| 44 |
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"cdr2_fw_aligned": 2.8227665424346924,
|
| 45 |
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"cdr3_fw_aligned": 3.1739819049835205,
|
| 46 |
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"num_residues": 212,
|
| 47 |
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"num_cdr_residues": 28
|
| 48 |
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|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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"num_gt_atoms": 1633,
|
| 52 |
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"num_aligned_atoms": 1570
|
| 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": 1637,
|
| 57 |
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"num_aligned_atoms": 1588
|
| 58 |
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}
|
| 59 |
+
}
|
8tui_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 |
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"entry": "8tui_H_L_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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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 848
|
| 58 |
+
}
|
| 59 |
+
}
|
8txp_H_L_AB_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8txp_H_L_AB_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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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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"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": 1602
|
| 58 |
+
}
|
| 59 |
+
}
|
8tzu_C__B_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tzu_C__B_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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"cdr": 1.8639427423477173,
|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 484,
|
| 12 |
+
"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": 0.9917355371900827,
|
| 16 |
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|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
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"total": 1.2162989377975464,
|
| 22 |
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"cdr": 1.8639427423477173,
|
| 23 |
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"framework": 0.7198546528816223,
|
| 24 |
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"cdr_fw_aligned": 2.4312798976898193,
|
| 25 |
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"cdr1": 0.49875113368034363,
|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
+
"num_gt_atoms": 480,
|
| 37 |
+
"num_aligned_atoms": 480
|
| 38 |
+
}
|
| 39 |
+
}
|
8u1q_H_L_A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8u1q_H_L_A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
+
"total": 1.0186226069927216,
|
| 7 |
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"cdr": 1.4056999683380127,
|
| 8 |
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"framework": 0.8430006802082062,
|
| 9 |
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"cdr_fw_aligned": 1.4994145631790161
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 908,
|
| 12 |
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"num_gt_atoms": 900,
|
| 13 |
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"num_aligned_atoms": 900,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9911894273127754,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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"total": 1.1620234251022339,
|
| 22 |
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"cdr": 1.6752824783325195,
|
| 23 |
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"framework": 0.9292318820953369,
|
| 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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|
8u5l_J_j_A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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|
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|
|
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|
|
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|
|
|
|
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|
| 1 |
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{
|
| 2 |
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"entry": "8u5l_J_j_A_sample_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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| 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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|
8u5l_J_j_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 |
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{
|
| 2 |
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"entry": "8u5l_J_j_A_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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| 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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| 24 |
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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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| 48 |
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| 49 |
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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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|
8ukh_H_L_A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
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|
| 1 |
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{
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| 2 |
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| 3 |
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| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 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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|
| 18 |
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| 19 |
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| 21 |
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| 22 |
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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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|
| 48 |
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| 49 |
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| 53 |
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| 54 |
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|
| 58 |
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|
| 59 |
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}
|
8ukh_H_L_A_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
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|
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|
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|
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|
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|
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|
|
|
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|
|
| 1 |
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{
|
| 2 |
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"entry": "8ukh_H_L_A_sample_2",
|
| 3 |
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|
| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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| 10 |
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|
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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| 22 |
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|
| 28 |
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|
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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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"cdr2": 0.26897528767585754,
|
| 42 |
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"cdr3": 0.8395644426345825,
|
| 43 |
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"cdr1_fw_aligned": 3.6676721572875977,
|
| 44 |
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"cdr2_fw_aligned": 2.3466386795043945,
|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 840
|
| 58 |
+
}
|
| 59 |
+
}
|
8ulj_H_L_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 |
+
{
|
| 2 |
+
"entry": "8ulj_H_L_AB_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 4.378048896789551,
|
| 7 |
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"cdr": 0.8478126227855682,
|
| 8 |
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"framework": 4.261300206184387,
|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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"num_residues": 217,
|
| 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": 3.506701946258545,
|
| 37 |
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"cdr": 0.706725001335144,
|
| 38 |
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"framework": 3.444352388381958,
|
| 39 |
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"cdr_fw_aligned": 4.541084289550781,
|
| 40 |
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"cdr1": 0.8888750076293945,
|
| 41 |
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"cdr2": 0.42363953590393066,
|
| 42 |
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"cdr3": 0.453919380903244,
|
| 43 |
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"cdr1_fw_aligned": 5.568064212799072,
|
| 44 |
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"cdr2_fw_aligned": 4.393388271331787,
|
| 45 |
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"cdr3_fw_aligned": 2.95875883102417,
|
| 46 |
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|
| 47 |
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"num_cdr_residues": 29
|
| 48 |
+
},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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"num_gt_atoms": 1617,
|
| 52 |
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"num_aligned_atoms": 1580
|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 1514,
|
| 57 |
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"num_aligned_atoms": 1466
|
| 58 |
+
}
|
| 59 |
+
}
|
8uo9_B__A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8uo9_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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|
| 7 |
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"cdr": 2.212914228439331,
|
| 8 |
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"framework": 1.6631898880004883,
|
| 9 |
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"cdr_fw_aligned": 2.726583242416382
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 1051,
|
| 12 |
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"num_gt_atoms": 587,
|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.5585156993339676,
|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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"total": 1.8938053846359253,
|
| 22 |
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"cdr": 2.212914228439331,
|
| 23 |
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|
| 24 |
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|
| 25 |
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"cdr1": 2.4896514415740967,
|
| 26 |
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"cdr2": 1.7660211324691772,
|
| 27 |
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"cdr3": 1.474439263343811,
|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 2.798715353012085,
|
| 30 |
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"cdr3_fw_aligned": 1.8351022005081177,
|
| 31 |
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"num_residues": 119,
|
| 32 |
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"num_cdr_residues": 23
|
| 33 |
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},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
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"num_gt_atoms": 587,
|
| 37 |
+
"num_aligned_atoms": 587
|
| 38 |
+
}
|
| 39 |
+
}
|
8uo9_B__A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
+
"entry": "8uo9_B__A_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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"num_gt_atoms": 587,
|
| 13 |
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"num_aligned_atoms": 587,
|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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"cdr1": 2.714568614959717,
|
| 26 |
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"cdr2": 1.281830906867981,
|
| 27 |
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|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 2.4995675086975098,
|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 23
|
| 33 |
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},
|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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"num_aligned_atoms": 587
|
| 38 |
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}
|
| 39 |
+
}
|
8uo9_B__A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
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|
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|
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|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8uo9_B__A_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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"num_residues": 119,
|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
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|
| 37 |
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"num_aligned_atoms": 476
|
| 38 |
+
}
|
| 39 |
+
}
|
8uoa_B__A_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8uoa_B__A_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.6908032894134521,
|
| 7 |
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"cdr": 1.7761666774749756,
|
| 8 |
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"framework": 1.5414758920669556,
|
| 9 |
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"cdr_fw_aligned": 2.297041177749634
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 568,
|
| 12 |
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"num_gt_atoms": 476,
|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.8380281690140845,
|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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"total": 1.6908032894134521,
|
| 22 |
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"cdr": 1.7761666774749756,
|
| 23 |
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"framework": 1.5414758920669556,
|
| 24 |
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"cdr_fw_aligned": 2.297041177749634,
|
| 25 |
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"cdr1": 1.8483747243881226,
|
| 26 |
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"cdr2": 1.660043478012085,
|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 3.1305394172668457,
|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 23
|
| 33 |
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},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
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"num_gt_atoms": 476,
|
| 37 |
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"num_aligned_atoms": 476
|
| 38 |
+
}
|
| 39 |
+
}
|
8uwz_C_D_F_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
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|
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|
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|
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|
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|
|
| 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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|
8vuy_H_L_A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
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|
|
|
|
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|
|
|
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|
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|
|
|
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|
|
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|
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|
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|
| 1 |
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{
|
| 2 |
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"entry": "8vuy_H_L_A_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
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| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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| 16 |
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| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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| 23 |
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| 24 |
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| 25 |
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| 26 |
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| 27 |
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|
| 28 |
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| 29 |
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| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 41 |
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| 42 |
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| 43 |
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| 44 |
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| 45 |
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|
| 46 |
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| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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}
|
| 59 |
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|
8vvk_D_C_B_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
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|
|
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|
|
|
|
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|
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|
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|
|
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|
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|
|
|
|
|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
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|
|
|
|
|
|
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|
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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": "8vvk_D_C_B_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 |
+
}
|
8vww_B_C_A_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
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|
|
|
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|
|
|
|
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|
| 1 |
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{
|
| 2 |
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"entry": "8vww_B_C_A_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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"light_chain": {
|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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},
|
| 49 |
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|
| 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 |
+
}
|
8wej_H_L_B_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
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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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|
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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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"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 1906,
|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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}
|
| 59 |
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}
|
8wej_H_L_B_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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|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8wej_H_L_B_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.1212161183357239,
|
| 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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"num_residues": 119,
|
| 32 |
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"num_cdr_residues": 23
|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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"total": 0.9473202228546143,
|
| 37 |
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"cdr": 0.8525018095970154,
|
| 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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"light_chain_atom_counts": {
|
| 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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}
|