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- 7vgs_D_C_A_sample_0_rmsd.json +59 -0
- 7vgs_D_C_A_sample_2_rmsd.json +59 -0
- 7vgs_D_C_A_sample_2_rmsd_backbone.json +59 -0
- 8q7o_A__C_sample_4_rmsd_backbone.json +39 -0
- 8q94_C__A_sample_1_rmsd_backbone.json +39 -0
- 8qot_B__A_sample_3_rmsd_backbone.json +39 -0
- 8qz1_C__B_sample_2_rmsd.json +39 -0
- 8qz6_B__A_sample_1_rmsd_backbone.json +39 -0
- 8qz6_B__A_sample_4_rmsd_backbone.json +39 -0
- 8qz7_B__A_sample_4_rmsd.json +39 -0
- 8r1c_H_L_A_sample_1_rmsd.json +59 -0
- 8r1c_H_L_A_sample_2_rmsd_backbone.json +59 -0
- 8r4b_B__A_sample_2_rmsd_backbone.json +39 -0
- 8r4d_B__A_sample_3_rmsd_backbone.json +39 -0
- 8r80_H_L_R_sample_3_rmsd_backbone.json +59 -0
- 8r8k_H_L_A_sample_1_rmsd.json +59 -0
- 8r8k_H_L_A_sample_3_rmsd.json +59 -0
- 8r9y_H_L_A_sample_0_rmsd_backbone.json +59 -0
- 8r9y_H_L_A_sample_4_rmsd.json +59 -0
- 8rek_H_L_A_sample_3_rmsd_backbone.json +59 -0
- 8rh0_H_L_A_sample_0_rmsd.json +59 -0
- 8rh0_H_L_A_sample_1_rmsd.json +59 -0
- 8rh0_H_L_A_sample_2_rmsd_backbone.json +59 -0
- 8rh0_H_L_A_sample_3_rmsd.json +59 -0
- 8rh2_H_L_B_sample_0_rmsd_backbone.json +59 -0
- 8rvn_H_L_F_sample_0_rmsd.json +59 -0
- 8rvn_H_L_F_sample_1_rmsd.json +59 -0
- 8rvn_H_L_F_sample_3_rmsd_backbone.json +59 -0
- 8rz1_A_a_B_sample_0_rmsd.json +59 -0
- 8rz2_B_C_A_sample_1_rmsd_backbone.json +59 -0
- 8rz2_B_C_A_sample_4_rmsd.json +59 -0
- 8rz2_B_C_A_sample_4_rmsd_backbone.json +59 -0
- 8s0l_B__A_sample_1_rmsd_backbone.json +39 -0
- 8s0n_B__A_sample_2_rmsd.json +39 -0
- 8s0n_B__A_sample_2_rmsd_backbone.json +39 -0
- 8s0n_B__A_sample_3_rmsd.json +39 -0
- 8s5w_B__A_sample_1_rmsd_backbone.json +39 -0
- 8s61_B__A_sample_0_rmsd.json +39 -0
- 8s61_B__A_sample_0_rmsd_backbone.json +39 -0
- 8s61_B__A_sample_2_rmsd.json +39 -0
- 8sgi_H_L_A_sample_3_rmsd_backbone.json +59 -0
- 8sgj_H_L_A_sample_3_rmsd_backbone.json +59 -0
- 8sgt_H_L_A_sample_1_rmsd.json +59 -0
- 8sgt_H_L_A_sample_1_rmsd_backbone.json +59 -0
- 8sgt_H_L_A_sample_3_rmsd.json +59 -0
- 8sgt_H_L_A_sample_4_rmsd_backbone.json +59 -0
- 8sic_A_B_E_sample_1_rmsd_backbone.json +59 -0
- 8slb_H_L_A_sample_1_rmsd.json +59 -0
- 8slb_H_L_A_sample_3_rmsd.json +59 -0
- 8smk_B_C_A_sample_0_rmsd.json +59 -0
7vgs_D_C_A_sample_0_rmsd.json
ADDED
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{
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"entry": "7vgs_D_C_A_sample_0",
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"success": true,
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"full_coverage": false
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"heavy_chain": {
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"num_residues": 213,
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"num_cdr_residues": 17
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"light_chain": {
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| 35 |
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"chain_id": "C",
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"total": 1.3858911991119385,
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"cdr": 1.4675917625427246,
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"framework": 1.3112021684646606,
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"num_cdr_residues": 31
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"heavy_chain_atom_counts": {
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7vgs_D_C_A_sample_2_rmsd.json
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{
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"entry": "7vgs_D_C_A_sample_2",
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"success": true,
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"error": null,
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| 12 |
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| 13 |
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| 14 |
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"alignment_coverage": {
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"full_coverage": false
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"heavy_chain": {
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}
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| 59 |
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}
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7vgs_D_C_A_sample_2_rmsd_backbone.json
ADDED
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{
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"entry": "7vgs_D_C_A_sample_2",
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| 3 |
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"error": null,
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| 48 |
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"heavy_chain_atom_counts": {
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| 58 |
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}
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| 59 |
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}
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8q7o_A__C_sample_4_rmsd_backbone.json
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{
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"entry": "8q7o_A__C_sample_4",
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| 3 |
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"success": true,
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| 4 |
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"error": null,
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| 5 |
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"rmsd": {
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| 6 |
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"total": 0.8339625000953674,
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| 7 |
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"cdr": 1.166527509689331,
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| 8 |
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| 10 |
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},
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| 11 |
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"num_pred_atoms": 496,
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| 12 |
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"num_gt_atoms": 480,
|
| 13 |
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"num_aligned_atoms": 480,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.967741935483871,
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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
|
| 18 |
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},
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| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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| 22 |
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| 23 |
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|
| 24 |
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"cdr_fw_aligned": 1.2587146759033203,
|
| 25 |
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"cdr1": 1.692037582397461,
|
| 26 |
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"cdr2": 0.23713171482086182,
|
| 27 |
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"cdr3": 0.623472273349762,
|
| 28 |
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"cdr1_fw_aligned": 1.9936202764511108,
|
| 29 |
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"cdr2_fw_aligned": 0.734235405921936,
|
| 30 |
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"cdr3_fw_aligned": 0.7338109612464905,
|
| 31 |
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"num_residues": 120,
|
| 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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"num_pred_atoms": 496,
|
| 36 |
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"num_gt_atoms": 480,
|
| 37 |
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"num_aligned_atoms": 480
|
| 38 |
+
}
|
| 39 |
+
}
|
8q94_C__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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|
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|
|
|
|
|
|
|
|
|
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|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8q94_C__A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.686206579208374,
|
| 7 |
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"cdr": 2.815476179122925,
|
| 8 |
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"framework": 0.8132695555686951,
|
| 9 |
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"cdr_fw_aligned": 3.1014111042022705
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 528,
|
| 12 |
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"num_gt_atoms": 508,
|
| 13 |
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"num_aligned_atoms": 508,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9621212121212122,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
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"total": 1.686206579208374,
|
| 22 |
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"cdr": 2.815476179122925,
|
| 23 |
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"framework": 0.8132695555686951,
|
| 24 |
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"cdr_fw_aligned": 3.1014111042022705,
|
| 25 |
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"cdr1": 1.761055827140808,
|
| 26 |
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"cdr2": 0.44902360439300537,
|
| 27 |
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"cdr3": 3.093092918395996,
|
| 28 |
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"cdr1_fw_aligned": 3.767603874206543,
|
| 29 |
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"cdr2_fw_aligned": 1.129349946975708,
|
| 30 |
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"cdr3_fw_aligned": 3.25077748298645,
|
| 31 |
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"num_residues": 127,
|
| 32 |
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"num_cdr_residues": 32
|
| 33 |
+
},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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"num_pred_atoms": 528,
|
| 36 |
+
"num_gt_atoms": 508,
|
| 37 |
+
"num_aligned_atoms": 508
|
| 38 |
+
}
|
| 39 |
+
}
|
8qot_B__A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
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|
|
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|
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|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
+
"entry": "8qot_B__A_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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"cdr_fw_aligned": 3.558398723602295
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 684,
|
| 12 |
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"num_gt_atoms": 500,
|
| 13 |
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"num_aligned_atoms": 500,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.7309941520467836,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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"total": 1.5943964719772339,
|
| 22 |
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"cdr": 2.006823778152466,
|
| 23 |
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"framework": 0.9095186591148376,
|
| 24 |
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"cdr_fw_aligned": 3.558398723602295,
|
| 25 |
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"cdr1": 2.105005979537964,
|
| 26 |
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"cdr2": 0.17564280331134796,
|
| 27 |
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"cdr3": 1.5278587341308594,
|
| 28 |
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"cdr1_fw_aligned": 2.7701332569122314,
|
| 29 |
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"cdr2_fw_aligned": 0.576257586479187,
|
| 30 |
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"cdr3_fw_aligned": 4.370396137237549,
|
| 31 |
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"num_residues": 125,
|
| 32 |
+
"num_cdr_residues": 27
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 684,
|
| 36 |
+
"num_gt_atoms": 500,
|
| 37 |
+
"num_aligned_atoms": 500
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz1_C__B_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
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|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8qz1_C__B_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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"chain_id": "C",
|
| 21 |
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|
| 22 |
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|
| 23 |
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| 24 |
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|
| 25 |
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"cdr1": 2.1577911376953125,
|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
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"num_gt_atoms": 935,
|
| 37 |
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"num_aligned_atoms": 876
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz6_B__A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
+
"entry": "8qz6_B__A_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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|
| 5 |
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|
| 6 |
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| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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| 23 |
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| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
+
}
|
| 39 |
+
}
|
8qz6_B__A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
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|
|
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|
|
|
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|
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|
|
|
|
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|
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|
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|
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|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
|
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|
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|
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|
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|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
| 1 |
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{
|
| 2 |
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"entry": "8qz6_B__A_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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"num_aligned_atoms": 496,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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"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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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
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|
| 37 |
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"num_aligned_atoms": 496
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz7_B__A_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
|
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|
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|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
+
"entry": "8qz7_B__A_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.8238188976377953,
|
| 16 |
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"gt_coverage": 0.9187705817782656,
|
| 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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"cdr_fw_aligned": 3.0997214317321777,
|
| 25 |
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"cdr1": 0.5675187706947327,
|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 0.48069676756858826,
|
| 30 |
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"cdr3_fw_aligned": 3.985562324523926,
|
| 31 |
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"num_residues": 124,
|
| 32 |
+
"num_cdr_residues": 30
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 1016,
|
| 36 |
+
"num_gt_atoms": 911,
|
| 37 |
+
"num_aligned_atoms": 837
|
| 38 |
+
}
|
| 39 |
+
}
|
8r1c_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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|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r1c_H_L_A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.4435079097747803,
|
| 7 |
+
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|
| 8 |
+
"framework": 0.9873834550380707,
|
| 9 |
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"cdr_fw_aligned": 2.5714584589004517
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1706,
|
| 12 |
+
"num_gt_atoms": 1726,
|
| 13 |
+
"num_aligned_atoms": 1610,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.943728018757327,
|
| 16 |
+
"gt_coverage": 0.93279258400927,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.9525552988052368,
|
| 22 |
+
"cdr": 3.906158208847046,
|
| 23 |
+
"framework": 0.9806272387504578,
|
| 24 |
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"cdr_fw_aligned": 4.422276020050049,
|
| 25 |
+
"cdr1": 0.8904502391815186,
|
| 26 |
+
"cdr2": 0.29440227150917053,
|
| 27 |
+
"cdr3": 4.608178615570068,
|
| 28 |
+
"cdr1_fw_aligned": 0.9881933927536011,
|
| 29 |
+
"cdr2_fw_aligned": 0.5469664335250854,
|
| 30 |
+
"cdr3_fw_aligned": 6.0725531578063965,
|
| 31 |
+
"num_residues": 124,
|
| 32 |
+
"num_cdr_residues": 28
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 0.9344605207443237,
|
| 37 |
+
"cdr": 0.5694735050201416,
|
| 38 |
+
"framework": 0.9941396713256836,
|
| 39 |
+
"cdr_fw_aligned": 0.7206408977508545,
|
| 40 |
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"cdr1": 0.658547580242157,
|
| 41 |
+
"cdr2": 0.3210838735103607,
|
| 42 |
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"cdr3": 0.373024582862854,
|
| 43 |
+
"cdr1_fw_aligned": 0.8160845637321472,
|
| 44 |
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"cdr2_fw_aligned": 0.6838565468788147,
|
| 45 |
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"cdr3_fw_aligned": 0.5902687907218933,
|
| 46 |
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"num_residues": 109,
|
| 47 |
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"num_cdr_residues": 31
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 877
|
| 53 |
+
},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 733
|
| 58 |
+
}
|
| 59 |
+
}
|
8r1c_H_L_A_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
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|
|
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|
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|
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|
|
|
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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": "8r1c_H_L_A_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.2670592069625854,
|
| 7 |
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"cdr": 2.1025476455688477,
|
| 8 |
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"framework": 0.5325165539979935,
|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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"pred_coverage": 0.9957264957264957,
|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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"total": 1.999392032623291,
|
| 22 |
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"cdr": 3.623800277709961,
|
| 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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"cdr3": 0.3119859993457794,
|
| 43 |
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|
| 44 |
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"cdr2_fw_aligned": 0.5912977457046509,
|
| 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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"num_gt_atoms": 496,
|
| 52 |
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"num_aligned_atoms": 496
|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 436
|
| 58 |
+
}
|
| 59 |
+
}
|
8r4b_B__A_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
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|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r4b_B__A_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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"cdr_fw_aligned": 5.199183940887451
|
| 10 |
+
},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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"cdr2": 1.4569121599197388,
|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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"num_aligned_atoms": 428
|
| 38 |
+
}
|
| 39 |
+
}
|
8r4d_B__A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
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|
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|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r4d_B__A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.701847553253174,
|
| 7 |
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|
| 8 |
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|
| 9 |
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"cdr_fw_aligned": 4.7488274574279785
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 548,
|
| 12 |
+
"num_gt_atoms": 428,
|
| 13 |
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"num_aligned_atoms": 428,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.781021897810219,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
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"total": 2.701847553253174,
|
| 22 |
+
"cdr": 3.8444974422454834,
|
| 23 |
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"framework": 1.630007028579712,
|
| 24 |
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"cdr_fw_aligned": 4.7488274574279785,
|
| 25 |
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"cdr1": 1.0440289974212646,
|
| 26 |
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"cdr2": 1.7743710279464722,
|
| 27 |
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"cdr3": 1.9874552488327026,
|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 5.195560455322266,
|
| 30 |
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|
| 31 |
+
"num_residues": 107,
|
| 32 |
+
"num_cdr_residues": 28
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 548,
|
| 36 |
+
"num_gt_atoms": 428,
|
| 37 |
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"num_aligned_atoms": 428
|
| 38 |
+
}
|
| 39 |
+
}
|
8r80_H_L_R_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r80_H_L_R_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.307220220565796,
|
| 7 |
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"cdr": 1.7332485616207123,
|
| 8 |
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"framework": 1.0732817649841309,
|
| 9 |
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"cdr_fw_aligned": 2.5033887028694153
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 1752,
|
| 12 |
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"num_gt_atoms": 1736,
|
| 13 |
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"num_aligned_atoms": 1736,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9908675799086758,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
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"total": 1.587673306465149,
|
| 22 |
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|
| 23 |
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"framework": 1.1520241498947144,
|
| 24 |
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|
| 25 |
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"cdr1": 0.42131975293159485,
|
| 26 |
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|
| 27 |
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"cdr3": 2.830434560775757,
|
| 28 |
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"cdr1_fw_aligned": 2.5815834999084473,
|
| 29 |
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"cdr2_fw_aligned": 2.3625144958496094,
|
| 30 |
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"cdr3_fw_aligned": 4.532581806182861,
|
| 31 |
+
"num_residues": 220,
|
| 32 |
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"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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"total": 1.0267671346664429,
|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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"cdr3": 0.4895794987678528,
|
| 43 |
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"cdr1_fw_aligned": 1.4869369268417358,
|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 856
|
| 58 |
+
}
|
| 59 |
+
}
|
8r8k_H_L_A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8r8k_H_L_A_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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"gt_coverage": 0.9237240605720696,
|
| 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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|
| 35 |
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"chain_id": "L",
|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 745
|
| 58 |
+
}
|
| 59 |
+
}
|
8r8k_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 |
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"entry": "8r8k_H_L_A_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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| 23 |
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| 24 |
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| 25 |
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| 26 |
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| 27 |
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|
| 28 |
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| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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| 38 |
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| 39 |
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| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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}
|
| 59 |
+
}
|
8r9y_H_L_A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
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|
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|
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|
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|
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|
|
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|
|
|
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|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
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|
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|
|
|
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|
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|
|
|
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|
|
|
|
|
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|
| 1 |
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{
|
| 2 |
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"entry": "8r9y_H_L_A_sample_0",
|
| 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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| 25 |
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| 26 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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| 37 |
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| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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| 50 |
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|
| 51 |
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|
| 52 |
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| 53 |
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|
| 54 |
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| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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}
|
| 59 |
+
}
|
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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|
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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": "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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|
| 20 |
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|
| 21 |
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| 22 |
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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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|
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|
| 44 |
+
"cdr2_fw_aligned": 0.8665639162063599,
|
| 45 |
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"cdr3_fw_aligned": 1.488788366317749,
|
| 46 |
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"num_residues": 212,
|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 1624,
|
| 51 |
+
"num_gt_atoms": 1658,
|
| 52 |
+
"num_aligned_atoms": 1593
|
| 53 |
+
},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
+
"num_gt_atoms": 1618,
|
| 57 |
+
"num_aligned_atoms": 1562
|
| 58 |
+
}
|
| 59 |
+
}
|
8rek_H_L_A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
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|
|
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|
|
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|
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|
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|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
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|
|
|
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|
|
|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8rek_H_L_A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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"framework": 1.4516968131065369,
|
| 9 |
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"cdr_fw_aligned": 2.1609150767326355
|
| 10 |
+
},
|
| 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": 0.9676674364896074,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
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"total": 1.8421103954315186,
|
| 22 |
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"cdr": 0.917443037033081,
|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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"cdr3": 0.8358168601989746,
|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 2.75826096534729,
|
| 30 |
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"cdr3_fw_aligned": 1.747246265411377,
|
| 31 |
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|
| 32 |
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|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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"total": 1.1831895112991333,
|
| 37 |
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"cdr": 0.5199771523475647,
|
| 38 |
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"framework": 1.11825430393219,
|
| 39 |
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"cdr_fw_aligned": 1.9344547986984253,
|
| 40 |
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"cdr1": 0.37233561277389526,
|
| 41 |
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"cdr2": 0.3024170994758606,
|
| 42 |
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"cdr3": 0.4669857323169708,
|
| 43 |
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"cdr1_fw_aligned": 1.8105592727661133,
|
| 44 |
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"cdr2_fw_aligned": 1.6124213933944702,
|
| 45 |
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"cdr3_fw_aligned": 2.2684857845306396,
|
| 46 |
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"num_residues": 210,
|
| 47 |
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"num_cdr_residues": 26
|
| 48 |
+
},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 836
|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 840,
|
| 57 |
+
"num_aligned_atoms": 840
|
| 58 |
+
}
|
| 59 |
+
}
|
8rh0_H_L_A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8rh0_H_L_A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.2750533819198608,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 5012,
|
| 12 |
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"num_gt_atoms": 1674,
|
| 13 |
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"num_aligned_atoms": 1577,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.3146448523543496,
|
| 16 |
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"gt_coverage": 0.9420549581839904,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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"total": 1.4617195129394531,
|
| 22 |
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"cdr": 2.7580976486206055,
|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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"cdr2": 0.39041662216186523,
|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 1.8406034708023071,
|
| 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": 26
|
| 33 |
+
},
|
| 34 |
+
"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": 0.513383150100708,
|
| 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": 716
|
| 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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"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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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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},
|
| 49 |
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"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": 716
|
| 58 |
+
}
|
| 59 |
+
}
|
8rh0_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8rh0_H_L_A_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.1106863915920258,
|
| 7 |
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|
| 8 |
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"framework": 0.6582556962966919,
|
| 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": 0.3373493975903614,
|
| 16 |
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|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 1.3704513311386108,
|
| 30 |
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"cdr3_fw_aligned": 3.989826202392578,
|
| 31 |
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"num_residues": 119,
|
| 32 |
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|
| 33 |
+
},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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"total": 0.7268500924110413,
|
| 37 |
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"cdr": 0.7064363956451416,
|
| 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": 0.6959633827209473,
|
| 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 |
+
"num_aligned_atoms": 476
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 848,
|
| 56 |
+
"num_gt_atoms": 420,
|
| 57 |
+
"num_aligned_atoms": 420
|
| 58 |
+
}
|
| 59 |
+
}
|
8rh0_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 |
+
{
|
| 2 |
+
"entry": "8rh0_H_L_A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
+
"total": 1.29219651222229,
|
| 7 |
+
"cdr": 1.7230874300003052,
|
| 8 |
+
"framework": 1.0447476208209991,
|
| 9 |
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"cdr_fw_aligned": 2.009253352880478
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 5012,
|
| 12 |
+
"num_gt_atoms": 1674,
|
| 13 |
+
"num_aligned_atoms": 1577,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.3146448523543496,
|
| 16 |
+
"gt_coverage": 0.9420549581839904,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.488741397857666,
|
| 22 |
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"cdr": 2.6625471115112305,
|
| 23 |
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"framework": 0.9493309855461121,
|
| 24 |
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|
| 25 |
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"cdr1": 1.4690059423446655,
|
| 26 |
+
"cdr2": 0.3247630298137665,
|
| 27 |
+
"cdr3": 3.081768035888672,
|
| 28 |
+
"cdr1_fw_aligned": 1.878562331199646,
|
| 29 |
+
"cdr2_fw_aligned": 0.6866740584373474,
|
| 30 |
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"cdr3_fw_aligned": 4.219176769256592,
|
| 31 |
+
"num_residues": 119,
|
| 32 |
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"num_cdr_residues": 26
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 1.095651626586914,
|
| 37 |
+
"cdr": 0.7836277484893799,
|
| 38 |
+
"framework": 1.1401642560958862,
|
| 39 |
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"cdr_fw_aligned": 0.9495329260826111,
|
| 40 |
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"cdr1": 0.5163015723228455,
|
| 41 |
+
"cdr2": 0.48336532711982727,
|
| 42 |
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"cdr3": 0.7137442827224731,
|
| 43 |
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"cdr1_fw_aligned": 0.6783075332641602,
|
| 44 |
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"cdr2_fw_aligned": 0.6395705938339233,
|
| 45 |
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"cdr3_fw_aligned": 1.3700560331344604,
|
| 46 |
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"num_residues": 105,
|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 861
|
| 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": 773,
|
| 57 |
+
"num_aligned_atoms": 716
|
| 58 |
+
}
|
| 59 |
+
}
|
8rh2_H_L_B_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
|
|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8rh2_H_L_B_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 0.9181256294250488,
|
| 7 |
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|
| 8 |
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|
| 9 |
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"cdr_fw_aligned": 1.6390354931354523
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 2656,
|
| 12 |
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"num_gt_atoms": 896,
|
| 13 |
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"num_aligned_atoms": 896,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.3373493975903614,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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"total": 1.139314889907837,
|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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"cdr2": 0.2898770868778229,
|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 1.6816167831420898,
|
| 29 |
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|
| 30 |
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"cdr3_fw_aligned": 3.0309441089630127,
|
| 31 |
+
"num_residues": 119,
|
| 32 |
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"num_cdr_residues": 26
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
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"total": 0.6969363689422607,
|
| 37 |
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|
| 38 |
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"framework": 0.6597819328308105,
|
| 39 |
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|
| 40 |
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|
| 41 |
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"cdr2": 0.39440280199050903,
|
| 42 |
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"cdr3": 0.31675416231155396,
|
| 43 |
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"cdr1_fw_aligned": 0.6775113344192505,
|
| 44 |
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"cdr2_fw_aligned": 0.5580808520317078,
|
| 45 |
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"cdr3_fw_aligned": 1.3865660429000854,
|
| 46 |
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"num_residues": 105,
|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 476
|
| 53 |
+
},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
+
"num_gt_atoms": 420,
|
| 57 |
+
"num_aligned_atoms": 420
|
| 58 |
+
}
|
| 59 |
+
}
|
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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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8rvn_H_L_F_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.073617935180664,
|
| 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 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.48752762867066624,
|
| 16 |
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|
| 17 |
+
"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": 117,
|
| 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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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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"cdr3": 2.563570737838745,
|
| 43 |
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"cdr1_fw_aligned": 1.7189778089523315,
|
| 44 |
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"cdr2_fw_aligned": 0.86244136095047,
|
| 45 |
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|
| 46 |
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"num_residues": 104,
|
| 47 |
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"num_cdr_residues": 28
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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"num_gt_atoms": 864,
|
| 52 |
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"num_aligned_atoms": 831
|
| 53 |
+
},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 768,
|
| 57 |
+
"num_aligned_atoms": 713
|
| 58 |
+
}
|
| 59 |
+
}
|
8rvn_H_L_F_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8rvn_H_L_F_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": 1.9908512234687805,
|
| 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 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.48752762867066624,
|
| 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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"cdr1_fw_aligned": 1.0994155406951904,
|
| 29 |
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"cdr2_fw_aligned": 1.3684080839157104,
|
| 30 |
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"cdr3_fw_aligned": 3.108811616897583,
|
| 31 |
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"num_residues": 117,
|
| 32 |
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|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 2.387927770614624,
|
| 37 |
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|
| 38 |
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"framework": 2.49076509475708,
|
| 39 |
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"cdr_fw_aligned": 2.076763153076172,
|
| 40 |
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"cdr1": 0.6827690601348877,
|
| 41 |
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|
| 42 |
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"cdr3": 2.5095598697662354,
|
| 43 |
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|
| 44 |
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"cdr2_fw_aligned": 0.9324793815612793,
|
| 45 |
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"cdr3_fw_aligned": 2.8463706970214844,
|
| 46 |
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"num_residues": 104,
|
| 47 |
+
"num_cdr_residues": 28
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 1607,
|
| 51 |
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"num_gt_atoms": 864,
|
| 52 |
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"num_aligned_atoms": 831
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 1560,
|
| 56 |
+
"num_gt_atoms": 768,
|
| 57 |
+
"num_aligned_atoms": 713
|
| 58 |
+
}
|
| 59 |
+
}
|
8rvn_H_L_F_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
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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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| 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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|
8rz1_A_a_B_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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|
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|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8rz1_A_a_B_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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| 16 |
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| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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| 23 |
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| 24 |
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| 25 |
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| 26 |
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| 27 |
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|
| 28 |
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| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 41 |
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| 42 |
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| 43 |
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| 44 |
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| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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}
|
| 59 |
+
}
|
8rz2_B_C_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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|
|
|
|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8rz2_B_C_A_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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|
| 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": 844
|
| 58 |
+
}
|
| 59 |
+
}
|
8rz2_B_C_A_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
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|
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|
|
|
|
|
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|
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|
|
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|
|
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|
|
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|
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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": "8rz2_B_C_A_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 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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"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "C",
|
| 36 |
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"total": 7.722383975982666,
|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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"num_cdr_residues": 31
|
| 48 |
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},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 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": 1518
|
| 58 |
+
}
|
| 59 |
+
}
|
8rz2_B_C_A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8rz2_B_C_A_sample_4",
|
| 3 |
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|
| 4 |
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|
| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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| 16 |
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|
| 17 |
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|
| 18 |
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| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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| 23 |
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| 24 |
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| 25 |
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| 26 |
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| 27 |
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| 28 |
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| 29 |
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| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 41 |
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| 42 |
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| 43 |
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|
| 44 |
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| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 860
|
| 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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|
8s0l_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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|
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|
|
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|
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|
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|
|
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|
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|
|
|
|
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|
|
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|
|
|
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|
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|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8s0l_B__A_sample_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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"num_gt_atoms": 520,
|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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"num_pred_atoms": 600,
|
| 36 |
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"num_gt_atoms": 520,
|
| 37 |
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"num_aligned_atoms": 520
|
| 38 |
+
}
|
| 39 |
+
}
|
8s0n_B__A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
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|
|
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|
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|
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|
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|
|
|
|
|
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|
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|
|
|
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|
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|
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|
|
|
|
|
|
|
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|
|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8s0n_B__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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|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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"num_aligned_atoms": 916
|
| 38 |
+
}
|
| 39 |
+
}
|
8s0n_B__A_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
+
"entry": "8s0n_B__A_sample_2",
|
| 3 |
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|
| 4 |
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|
| 5 |
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|
| 6 |
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| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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| 22 |
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| 23 |
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| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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"num_aligned_atoms": 520
|
| 38 |
+
}
|
| 39 |
+
}
|
8s0n_B__A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8s0n_B__A_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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| 9 |
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| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 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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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
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|
| 37 |
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"num_aligned_atoms": 916
|
| 38 |
+
}
|
| 39 |
+
}
|
8s5w_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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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8s5w_B__A_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 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 |
+
"pred_coverage": 0.8714285714285714,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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"total": 3.0221993923187256,
|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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"cdr1": 2.277144193649292,
|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
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"num_gt_atoms": 488,
|
| 37 |
+
"num_aligned_atoms": 488
|
| 38 |
+
}
|
| 39 |
+
}
|
8s61_B__A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
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|
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|
|
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|
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|
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|
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|
|
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|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8s61_B__A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 2.617629051208496,
|
| 7 |
+
"cdr": 4.851497173309326,
|
| 8 |
+
"framework": 1.3237415552139282,
|
| 9 |
+
"cdr_fw_aligned": 6.021542072296143
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 908,
|
| 12 |
+
"num_gt_atoms": 935,
|
| 13 |
+
"num_aligned_atoms": 870,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9581497797356828,
|
| 16 |
+
"gt_coverage": 0.93048128342246,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
+
"total": 2.617629051208496,
|
| 22 |
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"cdr": 4.851497173309326,
|
| 23 |
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"framework": 1.3237415552139282,
|
| 24 |
+
"cdr_fw_aligned": 6.021542072296143,
|
| 25 |
+
"cdr1": 2.7966582775115967,
|
| 26 |
+
"cdr2": 1.9187203645706177,
|
| 27 |
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"cdr3": 3.7779479026794434,
|
| 28 |
+
"cdr1_fw_aligned": 4.916498184204102,
|
| 29 |
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"cdr2_fw_aligned": 2.618434429168701,
|
| 30 |
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"cdr3_fw_aligned": 7.3473310470581055,
|
| 31 |
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|
| 32 |
+
"num_cdr_residues": 27
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 908,
|
| 36 |
+
"num_gt_atoms": 935,
|
| 37 |
+
"num_aligned_atoms": 870
|
| 38 |
+
}
|
| 39 |
+
}
|
8s61_B__A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8s61_B__A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.5571696758270264,
|
| 7 |
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"cdr": 4.400890350341797,
|
| 8 |
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"framework": 0.6650007367134094,
|
| 9 |
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"cdr_fw_aligned": 5.635441780090332
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 488,
|
| 12 |
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"num_gt_atoms": 488,
|
| 13 |
+
"num_aligned_atoms": 488,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 1.0,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
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"total": 2.5571696758270264,
|
| 22 |
+
"cdr": 4.400890350341797,
|
| 23 |
+
"framework": 0.6650007367134094,
|
| 24 |
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"cdr_fw_aligned": 5.635441780090332,
|
| 25 |
+
"cdr1": 2.388533115386963,
|
| 26 |
+
"cdr2": 1.5560160875320435,
|
| 27 |
+
"cdr3": 3.0964760780334473,
|
| 28 |
+
"cdr1_fw_aligned": 3.9924371242523193,
|
| 29 |
+
"cdr2_fw_aligned": 2.2164101600646973,
|
| 30 |
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"cdr3_fw_aligned": 7.153526306152344,
|
| 31 |
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"num_residues": 122,
|
| 32 |
+
"num_cdr_residues": 27
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 488,
|
| 36 |
+
"num_gt_atoms": 488,
|
| 37 |
+
"num_aligned_atoms": 488
|
| 38 |
+
}
|
| 39 |
+
}
|
8s61_B__A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
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|
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|
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|
|
|
|
|
|
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|
|
|
|
|
|
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|
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|
|
|
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|
|
|
|
|
|
|
|
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|
|
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|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8s61_B__A_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.876115083694458,
|
| 7 |
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"cdr": 4.8738112449646,
|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 908,
|
| 12 |
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"num_gt_atoms": 935,
|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9581497797356828,
|
| 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": 2.876115083694458,
|
| 22 |
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"cdr": 4.8738112449646,
|
| 23 |
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"framework": 1.3306994438171387,
|
| 24 |
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|
| 25 |
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"cdr1": 3.3574769496917725,
|
| 26 |
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"cdr2": 1.8894234895706177,
|
| 27 |
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"cdr3": 3.890007495880127,
|
| 28 |
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"cdr1_fw_aligned": 4.898429870605469,
|
| 29 |
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"cdr2_fw_aligned": 2.6375553607940674,
|
| 30 |
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|
| 31 |
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"num_residues": 122,
|
| 32 |
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"num_cdr_residues": 27
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 908,
|
| 36 |
+
"num_gt_atoms": 935,
|
| 37 |
+
"num_aligned_atoms": 870
|
| 38 |
+
}
|
| 39 |
+
}
|
8sgi_H_L_A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8sgi_H_L_A_sample_3",
|
| 3 |
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|
| 4 |
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|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
+
},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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"total": 0.5898007750511169,
|
| 37 |
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|
| 38 |
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"framework": 0.5226528644561768,
|
| 39 |
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"cdr_fw_aligned": 0.7826203107833862,
|
| 40 |
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"cdr1": 0.42663490772247314,
|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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"cdr2_fw_aligned": 0.45480644702911377,
|
| 45 |
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|
| 46 |
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|
| 47 |
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"num_cdr_residues": 30
|
| 48 |
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},
|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 484
|
| 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": 440
|
| 58 |
+
}
|
| 59 |
+
}
|
8sgj_H_L_A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
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|
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|
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|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8sgj_H_L_A_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 0.9678664803504944,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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"num_aligned_atoms": 924,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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"total": 1.3329954147338867,
|
| 22 |
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"cdr": 2.374584674835205,
|
| 23 |
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"framework": 0.6145788431167603,
|
| 24 |
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|
| 25 |
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"cdr1": 0.3707815110683441,
|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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"num_residues": 121,
|
| 32 |
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|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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"total": 0.602737545967102,
|
| 37 |
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|
| 38 |
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"framework": 0.5306219458580017,
|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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"num_residues": 110,
|
| 47 |
+
"num_cdr_residues": 30
|
| 48 |
+
},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 484
|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
+
"num_gt_atoms": 440,
|
| 57 |
+
"num_aligned_atoms": 440
|
| 58 |
+
}
|
| 59 |
+
}
|
8sgt_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8sgt_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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"pred_coverage": 0.4886672710788758,
|
| 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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"total": 1.6365450620651245,
|
| 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": "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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"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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|
| 58 |
+
}
|
| 59 |
+
}
|
8sgt_H_L_A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
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|
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|
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|
|
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|
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|
|
|
|
|
|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sgt_H_L_A_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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"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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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 440
|
| 58 |
+
}
|
| 59 |
+
}
|
8sgt_H_L_A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sgt_H_L_A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 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 |
+
"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
+
},
|
| 34 |
+
"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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"num_residues": 110,
|
| 47 |
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"num_cdr_residues": 30
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 1816,
|
| 51 |
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|
| 52 |
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|
| 53 |
+
},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 816,
|
| 57 |
+
"num_aligned_atoms": 744
|
| 58 |
+
}
|
| 59 |
+
}
|
8sgt_H_L_A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sgt_H_L_A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 0.9365904629230499,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
+
},
|
| 11 |
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|
| 12 |
+
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|
| 13 |
+
"num_aligned_atoms": 924,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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"total": 1.1647459268569946,
|
| 22 |
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|
| 23 |
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"framework": 0.6022081971168518,
|
| 24 |
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|
| 25 |
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"cdr1": 0.5813027024269104,
|
| 26 |
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|
| 27 |
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"cdr3": 2.918551445007324,
|
| 28 |
+
"cdr1_fw_aligned": 0.8345960378646851,
|
| 29 |
+
"cdr2_fw_aligned": 0.5778137445449829,
|
| 30 |
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"cdr3_fw_aligned": 3.2062313556671143,
|
| 31 |
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"num_residues": 121,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 0.7084349989891052,
|
| 37 |
+
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|
| 38 |
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"framework": 0.65656578540802,
|
| 39 |
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"cdr_fw_aligned": 0.8789364099502563,
|
| 40 |
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"cdr1": 0.42373108863830566,
|
| 41 |
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|
| 42 |
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"cdr3": 0.8516027927398682,
|
| 43 |
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"cdr1_fw_aligned": 0.7307926416397095,
|
| 44 |
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"cdr2_fw_aligned": 0.9786898493766785,
|
| 45 |
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|
| 46 |
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"num_residues": 110,
|
| 47 |
+
"num_cdr_residues": 30
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 996,
|
| 51 |
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"num_gt_atoms": 484,
|
| 52 |
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"num_aligned_atoms": 484
|
| 53 |
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},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 440,
|
| 57 |
+
"num_aligned_atoms": 440
|
| 58 |
+
}
|
| 59 |
+
}
|
8sic_A_B_E_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
|
|
|
|
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|
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|
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|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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|
| 3 |
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|
| 4 |
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|
| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": true
|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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| 24 |
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| 25 |
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|
| 26 |
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| 27 |
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| 28 |
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| 29 |
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|
| 30 |
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| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 41 |
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| 42 |
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| 43 |
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| 44 |
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| 45 |
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| 46 |
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| 47 |
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| 48 |
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|
| 49 |
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| 50 |
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|
| 51 |
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| 52 |
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| 53 |
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| 54 |
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| 55 |
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| 56 |
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|
| 57 |
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|
| 58 |
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|
| 59 |
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|
8slb_H_L_A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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|
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|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8slb_H_L_A_sample_1",
|
| 3 |
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|
| 4 |
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|
| 5 |
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|
| 6 |
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| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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| 16 |
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| 17 |
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|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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| 24 |
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| 25 |
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| 26 |
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| 27 |
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|
| 28 |
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| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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| 40 |
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| 41 |
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| 42 |
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| 43 |
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| 44 |
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| 45 |
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| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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|
| 59 |
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|
8slb_H_L_A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8slb_H_L_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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|
| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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}
|
| 59 |
+
}
|
8smk_B_C_A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
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|
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|
|
|
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|
|
|
|
|
|
|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8smk_B_C_A_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 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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|
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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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}
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