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- 7vgs_D_C_A_sample_4_rmsd.json +59 -0
- 7xic_K_L_B_sample_2_rmsd_backbone.json +59 -0
- 7xic_K_L_B_sample_3_rmsd_backbone.json +59 -0
- 8e1m_H_L_C_sample_0_rmsd_backbone.json +59 -0
- 8e1m_H_L_C_sample_1_rmsd_backbone.json +59 -0
- 8q7o_A__C_sample_0_rmsd_backbone.json +39 -0
- 8q7s_F__D_sample_0_rmsd.json +39 -0
- 8q7s_F__D_sample_1_rmsd.json +39 -0
- 8q7s_F__D_sample_3_rmsd.json +39 -0
- 8q94_C__A_sample_0_rmsd.json +39 -0
- 8q94_C__A_sample_1_rmsd.json +39 -0
- 8q94_C__A_sample_2_rmsd.json +39 -0
- 8q94_C__A_sample_3_rmsd.json +39 -0
- 8q94_C__A_sample_4_rmsd_backbone.json +39 -0
- 8qf5_G__H_sample_0_rmsd.json +39 -0
- 8qf5_G__H_sample_1_rmsd.json +39 -0
- 8qf5_G__H_sample_2_rmsd.json +39 -0
- 8qot_B__A_sample_1_rmsd.json +39 -0
- 8qot_B__A_sample_2_rmsd.json +39 -0
- 8qot_B__A_sample_3_rmsd.json +39 -0
- 8qq0_E_D_A_sample_0_rmsd_backbone.json +59 -0
- 8qq0_E_D_A_sample_1_rmsd_backbone.json +59 -0
- 8qz3_C__B_sample_0_rmsd.json +39 -0
- 8qz3_C__B_sample_0_rmsd_backbone.json +39 -0
- 8qz3_C__B_sample_1_rmsd_backbone.json +39 -0
- 8qz3_C__B_sample_2_rmsd.json +39 -0
- 8qz3_C__B_sample_3_rmsd.json +39 -0
- 8qz6_B__A_sample_0_rmsd_backbone.json +39 -0
- 8qz7_B__A_sample_0_rmsd.json +39 -0
- 8qz7_B__A_sample_1_rmsd.json +39 -0
- 8qz7_B__A_sample_3_rmsd.json +39 -0
- 8qz7_B__A_sample_4_rmsd_backbone.json +39 -0
- 8r40_A_a_C_sample_4_rmsd_backbone.json +59 -0
- 8r4b_B__A_sample_4_rmsd.json +39 -0
- 8r4d_B__A_sample_0_rmsd.json +39 -0
- 8r4d_B__A_sample_1_rmsd.json +39 -0
- 8r4d_B__A_sample_2_rmsd.json +39 -0
- 8r8k_H_L_A_sample_2_rmsd_backbone.json +59 -0
- 8r8k_H_L_A_sample_3_rmsd_backbone.json +59 -0
- 8r8k_H_L_A_sample_4_rmsd.json +59 -0
- 8r9y_B_C_A_sample_0_rmsd.json +59 -0
- 8r9y_B_C_A_sample_2_rmsd.json +59 -0
- 8r9y_B_C_A_sample_2_rmsd_backbone.json +59 -0
- 8r9y_B_C_A_sample_3_rmsd.json +59 -0
- 8r9y_B_C_A_sample_3_rmsd_backbone.json +59 -0
- 8r9z_B_C_A_sample_0_rmsd.json +59 -0
- 8r9z_B_C_A_sample_1_rmsd.json +59 -0
- 8r9z_H_L_A_sample_4_rmsd_backbone.json +59 -0
- 8rek_H_L_A_sample_0_rmsd.json +59 -0
- 8rek_H_L_A_sample_1_rmsd.json +59 -0
7vgs_D_C_A_sample_4_rmsd.json
ADDED
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{
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"entry": "7vgs_D_C_A_sample_4",
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"success": true,
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"error": null,
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"rmsd": {
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"gt_coverage": 0.9669344870210136,
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"full_coverage": false
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"heavy_chain": {
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"cdr": 2.7741799354553223,
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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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"chain_id": "C",
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"total": 1.4936436414718628,
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"cdr": 1.8884238004684448,
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"cdr2": 0.9855903387069702,
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"cdr1_fw_aligned": 2.457094192504883,
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"cdr2_fw_aligned": 1.3774112462997437,
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"cdr3_fw_aligned": 2.6949028968811035,
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"num_residues": 218,
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"num_cdr_residues": 31
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"heavy_chain_atom_counts": {
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"num_pred_atoms": 1679,
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"num_aligned_atoms": 1534
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7xic_K_L_B_sample_2_rmsd_backbone.json
ADDED
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{
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"entry": "7xic_K_L_B_sample_2",
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"success": true,
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"error": null,
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| 5 |
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"rmsd": {
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"num_pred_atoms": 948,
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"num_gt_atoms": 948,
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| 13 |
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"num_aligned_atoms": 948,
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| 14 |
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"alignment_coverage": {
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| 15 |
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"pred_coverage": 1.0,
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| 16 |
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"gt_coverage": 1.0,
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| 17 |
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"full_coverage": true
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| 18 |
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| 19 |
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"heavy_chain": {
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| 20 |
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"chain_id": "K",
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| 21 |
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"cdr": 3.6938798427581787,
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"num_residues": 129,
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"num_cdr_residues": 32
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| 33 |
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| 58 |
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}
|
| 59 |
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}
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7xic_K_L_B_sample_3_rmsd_backbone.json
ADDED
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{
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"entry": "7xic_K_L_B_sample_3",
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"success": true,
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"error": null,
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"full_coverage": true
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| 18 |
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| 19 |
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| 48 |
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| 58 |
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}
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| 59 |
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}
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8e1m_H_L_C_sample_0_rmsd_backbone.json
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{
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"entry": "8e1m_H_L_C_sample_0",
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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": 0.7857055068016052,
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| 7 |
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"cdr": 0.7220023274421692,
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| 8 |
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"framework": 0.7811875641345978,
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"cdr_fw_aligned": 0.8365599513053894
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| 10 |
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},
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| 11 |
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"num_pred_atoms": 1904,
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| 12 |
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"num_gt_atoms": 912,
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| 13 |
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|
| 14 |
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|
| 15 |
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| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "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": 1.2146507501602173,
|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 21
|
| 33 |
+
},
|
| 34 |
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|
| 35 |
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"chain_id": "L",
|
| 36 |
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"total": 0.7097591161727905,
|
| 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 |
+
}
|
8e1m_H_L_C_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8e1m_H_L_C_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": 0.802034467458725,
|
| 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": 0.4789915966386555,
|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 468
|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 444
|
| 58 |
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}
|
| 59 |
+
}
|
8q7o_A__C_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
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|
|
|
|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8q7o_A__C_sample_0",
|
| 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": 6.08764123916626
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 496,
|
| 12 |
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"num_gt_atoms": 480,
|
| 13 |
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"num_aligned_atoms": 480,
|
| 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": "A",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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|
| 35 |
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|
| 36 |
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"num_gt_atoms": 480,
|
| 37 |
+
"num_aligned_atoms": 480
|
| 38 |
+
}
|
| 39 |
+
}
|
8q7s_F__D_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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|
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|
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|
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|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8q7s_F__D_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "F",
|
| 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": 892
|
| 38 |
+
}
|
| 39 |
+
}
|
8q7s_F__D_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
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|
|
|
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|
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|
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|
|
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|
|
|
|
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|
|
|
|
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|
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|
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|
|
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|
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|
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|
|
|
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|
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|
|
|
|
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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": "8q7s_F__D_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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"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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"cdr1": 3.0091445446014404,
|
| 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": 32
|
| 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": 892
|
| 38 |
+
}
|
| 39 |
+
}
|
8q7s_F__D_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
|
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|
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|
|
|
|
|
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|
|
|
|
|
|
|
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|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8q7s_F__D_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 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": "F",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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"cdr_fw_aligned": 3.63396954536438,
|
| 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": 1.0700616836547852,
|
| 30 |
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|
| 31 |
+
"num_residues": 128,
|
| 32 |
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"num_cdr_residues": 32
|
| 33 |
+
},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
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"num_gt_atoms": 966,
|
| 37 |
+
"num_aligned_atoms": 892
|
| 38 |
+
}
|
| 39 |
+
}
|
8q94_C__A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8q94_C__A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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"framework": 1.6205462217330933,
|
| 9 |
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"cdr_fw_aligned": 5.560223579406738
|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "C",
|
| 21 |
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|
| 22 |
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"cdr": 4.245393753051758,
|
| 23 |
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"framework": 1.6205462217330933,
|
| 24 |
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"cdr_fw_aligned": 5.560223579406738,
|
| 25 |
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"cdr1": 2.635104179382324,
|
| 26 |
+
"cdr2": 0.9940506219863892,
|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 4.140064239501953,
|
| 29 |
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"cdr2_fw_aligned": 2.5432605743408203,
|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 32
|
| 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": 958,
|
| 37 |
+
"num_aligned_atoms": 881
|
| 38 |
+
}
|
| 39 |
+
}
|
8q94_C__A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8q94_C__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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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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"cdr": 3.3468594551086426,
|
| 23 |
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"framework": 1.6219865083694458,
|
| 24 |
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"cdr_fw_aligned": 3.756676197052002,
|
| 25 |
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"cdr1": 2.740067958831787,
|
| 26 |
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"cdr2": 1.54119074344635,
|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 4.813021183013916,
|
| 29 |
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"cdr2_fw_aligned": 2.4971776008605957,
|
| 30 |
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"cdr3_fw_aligned": 3.656895399093628,
|
| 31 |
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"num_residues": 127,
|
| 32 |
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"num_cdr_residues": 32
|
| 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": 958,
|
| 37 |
+
"num_aligned_atoms": 881
|
| 38 |
+
}
|
| 39 |
+
}
|
8q94_C__A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8q94_C__A_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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| 9 |
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|
| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 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": 881
|
| 38 |
+
}
|
| 39 |
+
}
|
8q94_C__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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8q94_C__A_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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|
| 5 |
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|
| 6 |
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| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 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 |
+
}
|
8q94_C__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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8q94_C__A_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 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 |
+
}
|
8qf5_G__H_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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|
|
|
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|
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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": "8qf5_G__H_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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"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": "G",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 22
|
| 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": 851
|
| 38 |
+
}
|
| 39 |
+
}
|
8qf5_G__H_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
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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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|
8qf5_G__H_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8qf5_G__H_sample_2",
|
| 3 |
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|
| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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| 10 |
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| 11 |
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| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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| 22 |
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| 23 |
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| 24 |
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| 25 |
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| 26 |
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| 27 |
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| 28 |
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| 29 |
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| 30 |
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| 31 |
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| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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}
|
| 39 |
+
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|
8qot_B__A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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|
| 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 |
+
}
|
8qot_B__A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
|
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|
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|
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|
|
|
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|
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|
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|
|
|
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|
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|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8qot_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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| 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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|
8qot_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 |
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{
|
| 2 |
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"entry": "8qot_B__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 |
+
}
|
8qq0_E_D_A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
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|
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|
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|
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|
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|
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|
|
| 1 |
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{
|
| 2 |
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"entry": "8qq0_E_D_A_sample_0",
|
| 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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|
| 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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|
| 47 |
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|
| 48 |
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},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 916,
|
| 51 |
+
"num_gt_atoms": 480,
|
| 52 |
+
"num_aligned_atoms": 480
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
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|
| 56 |
+
"num_gt_atoms": 444,
|
| 57 |
+
"num_aligned_atoms": 444
|
| 58 |
+
}
|
| 59 |
+
}
|
8qq0_E_D_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qq0_E_D_A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
+
"total": 2.2909605503082275,
|
| 7 |
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"cdr": 3.6617754697799683,
|
| 8 |
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"framework": 1.246489256620407,
|
| 9 |
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"cdr_fw_aligned": 4.218658447265625
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 1780,
|
| 12 |
+
"num_gt_atoms": 924,
|
| 13 |
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"num_aligned_atoms": 924,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "E",
|
| 21 |
+
"total": 1.7970757484436035,
|
| 22 |
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"cdr": 3.1640102863311768,
|
| 23 |
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"framework": 0.941870391368866,
|
| 24 |
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"cdr_fw_aligned": 3.5641398429870605,
|
| 25 |
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|
| 26 |
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|
| 27 |
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"cdr3": 3.193615674972534,
|
| 28 |
+
"cdr1_fw_aligned": 1.529293179512024,
|
| 29 |
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"cdr2_fw_aligned": 0.8999361395835876,
|
| 30 |
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"cdr3_fw_aligned": 4.875755310058594,
|
| 31 |
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"num_residues": 120,
|
| 32 |
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"num_cdr_residues": 26
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "D",
|
| 36 |
+
"total": 2.7848453521728516,
|
| 37 |
+
"cdr": 4.15954065322876,
|
| 38 |
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"framework": 1.5511081218719482,
|
| 39 |
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"cdr_fw_aligned": 4.8731770515441895,
|
| 40 |
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"cdr1": 4.085180282592773,
|
| 41 |
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"cdr2": 0.5719348788261414,
|
| 42 |
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"cdr3": 2.425184965133667,
|
| 43 |
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"cdr1_fw_aligned": 4.5770039558410645,
|
| 44 |
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"cdr2_fw_aligned": 1.5825090408325195,
|
| 45 |
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"cdr3_fw_aligned": 6.522005081176758,
|
| 46 |
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"num_residues": 111,
|
| 47 |
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"num_cdr_residues": 31
|
| 48 |
+
},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 916,
|
| 51 |
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"num_gt_atoms": 480,
|
| 52 |
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"num_aligned_atoms": 480
|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 864,
|
| 56 |
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"num_gt_atoms": 444,
|
| 57 |
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"num_aligned_atoms": 444
|
| 58 |
+
}
|
| 59 |
+
}
|
8qz3_C__B_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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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz3_C__B_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.6111819744110107,
|
| 7 |
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"cdr": 2.635258913040161,
|
| 8 |
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"framework": 1.1139271259307861,
|
| 9 |
+
"cdr_fw_aligned": 3.0191855430603027
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 1003,
|
| 12 |
+
"num_gt_atoms": 963,
|
| 13 |
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"num_aligned_atoms": 889,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.8863409770687937,
|
| 16 |
+
"gt_coverage": 0.9231568016614745,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
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"total": 1.6111819744110107,
|
| 22 |
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"cdr": 2.635258913040161,
|
| 23 |
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"framework": 1.1139271259307861,
|
| 24 |
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"cdr_fw_aligned": 3.0191855430603027,
|
| 25 |
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"cdr1": 1.9776419401168823,
|
| 26 |
+
"cdr2": 0.5752678513526917,
|
| 27 |
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"cdr3": 2.5851058959960938,
|
| 28 |
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"cdr1_fw_aligned": 2.5621049404144287,
|
| 29 |
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"cdr2_fw_aligned": 1.7676969766616821,
|
| 30 |
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"cdr3_fw_aligned": 3.450855255126953,
|
| 31 |
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|
| 32 |
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"num_cdr_residues": 31
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
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"num_pred_atoms": 1003,
|
| 36 |
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"num_gt_atoms": 963,
|
| 37 |
+
"num_aligned_atoms": 889
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz3_C__B_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz3_C__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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"cdr_fw_aligned": 2.8313636779785156
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 548,
|
| 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 |
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"pred_coverage": 0.927007299270073,
|
| 16 |
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|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "C",
|
| 21 |
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|
| 22 |
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|
| 23 |
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"framework": 0.5197826027870178,
|
| 24 |
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"cdr_fw_aligned": 2.8313636779785156,
|
| 25 |
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"cdr1": 1.5099663734436035,
|
| 26 |
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"cdr2": 0.3701457977294922,
|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 2.0682482719421387,
|
| 29 |
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"cdr2_fw_aligned": 1.7287620306015015,
|
| 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": 508
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz3_C__B_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8qz3_C__B_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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"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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|
| 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": 508
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz3_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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|
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|
|
|
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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": "8qz3_C__B_sample_2",
|
| 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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"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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"framework": 1.2706423997879028,
|
| 24 |
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"cdr_fw_aligned": 2.026777982711792,
|
| 25 |
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"cdr1": 1.7250336408615112,
|
| 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": 889
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz3_C__B_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
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|
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|
|
|
|
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|
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|
|
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|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz3_C__B_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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"num_pred_atoms": 1003,
|
| 12 |
+
"num_gt_atoms": 963,
|
| 13 |
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"num_aligned_atoms": 889,
|
| 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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"cdr2_fw_aligned": 1.2050458192825317,
|
| 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_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
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|
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|
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|
|
|
|
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|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz6_B__A_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"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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"cdr2": 1.6529715061187744,
|
| 27 |
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|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 3.031615972518921,
|
| 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": 496,
|
| 37 |
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"num_aligned_atoms": 496
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz7_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8qz7_B__A_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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|
| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 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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"cdr2": 1.9587688446044922,
|
| 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": 30
|
| 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": 836
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz7_B__A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
| 1 |
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{
|
| 2 |
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"entry": "8qz7_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 |
+
}
|
8qz7_B__A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
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|
|
|
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|
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|
|
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|
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|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8qz7_B__A_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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| 9 |
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|
| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 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 |
+
}
|
8qz7_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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|
|
| 1 |
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{
|
| 2 |
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"entry": "8qz7_B__A_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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|
| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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}
|
| 39 |
+
}
|
8r40_A_a_C_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
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|
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|
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|
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|
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|
|
| 1 |
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{
|
| 2 |
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"entry": "8r40_A_a_C_sample_4",
|
| 3 |
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|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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"total": 12.257349014282227,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "A",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
+
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|
| 34 |
+
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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| 39 |
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| 40 |
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| 41 |
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| 42 |
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| 43 |
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|
| 44 |
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"cdr2_fw_aligned": 24.25933265686035,
|
| 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": 968
|
| 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": 968
|
| 58 |
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}
|
| 59 |
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|
8r4b_B__A_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
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|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r4b_B__A_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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"framework": 2.288839101791382,
|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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|
| 22 |
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"cdr": 3.4227774143218994,
|
| 23 |
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"framework": 2.288839101791382,
|
| 24 |
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"cdr_fw_aligned": 4.26601505279541,
|
| 25 |
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"cdr1": 1.5397751331329346,
|
| 26 |
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"cdr2": 2.0161807537078857,
|
| 27 |
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|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 3.882554292678833,
|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 28
|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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"num_gt_atoms": 769,
|
| 37 |
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"num_aligned_atoms": 730
|
| 38 |
+
}
|
| 39 |
+
}
|
8r4d_B__A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
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|
|
|
|
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|
|
|
|
|
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|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8r4d_B__A_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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"num_gt_atoms": 769,
|
| 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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"cdr2": 1.9101426601409912,
|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 3.735900640487671,
|
| 29 |
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"cdr2_fw_aligned": 3.4660227298736572,
|
| 30 |
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"cdr3_fw_aligned": 4.915003776550293,
|
| 31 |
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"num_residues": 107,
|
| 32 |
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"num_cdr_residues": 28
|
| 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": 769,
|
| 37 |
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"num_aligned_atoms": 730
|
| 38 |
+
}
|
| 39 |
+
}
|
8r4d_B__A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8r4d_B__A_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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| 8 |
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|
| 9 |
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|
| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 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 |
+
}
|
8r4d_B__A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
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|
|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
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|
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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": "8r4d_B__A_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.8322031497955322,
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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 |
+
}
|
8r8k_H_L_A_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
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|
|
|
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|
|
|
|
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|
|
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|
|
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|
|
|
|
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|
|
|
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|
|
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|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
|
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|
|
|
|
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|
|
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|
|
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|
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|
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|
|
|
|
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|
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|
|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
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|
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|
|
|
|
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|
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|
|
| 1 |
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{
|
| 2 |
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"entry": "8r8k_H_L_A_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.2243562936782837,
|
| 7 |
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|
| 8 |
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"framework": 0.6424729526042938,
|
| 9 |
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"cdr_fw_aligned": 2.2143748104572296
|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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|
| 37 |
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"cdr": 0.6716890931129456,
|
| 38 |
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"framework": 0.7363361120223999,
|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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}
|
| 59 |
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}
|
8r8k_H_L_A_sample_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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|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r8k_H_L_A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.6158292889595032,
|
| 7 |
+
"cdr": 2.224913716316223,
|
| 8 |
+
"framework": 0.6203709244728088,
|
| 9 |
+
"cdr_fw_aligned": 3.294287294149399
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1788,
|
| 12 |
+
"num_gt_atoms": 940,
|
| 13 |
+
"num_aligned_atoms": 940,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.5257270693512305,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 2.456111192703247,
|
| 22 |
+
"cdr": 3.5820059776306152,
|
| 23 |
+
"framework": 0.5247767567634583,
|
| 24 |
+
"cdr_fw_aligned": 5.625664710998535,
|
| 25 |
+
"cdr1": 0.4238380491733551,
|
| 26 |
+
"cdr2": 0.8003330230712891,
|
| 27 |
+
"cdr3": 3.1283035278320312,
|
| 28 |
+
"cdr1_fw_aligned": 0.6173784732818604,
|
| 29 |
+
"cdr2_fw_aligned": 1.8056848049163818,
|
| 30 |
+
"cdr3_fw_aligned": 7.607992172241211,
|
| 31 |
+
"num_residues": 128,
|
| 32 |
+
"num_cdr_residues": 32
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 0.7755473852157593,
|
| 37 |
+
"cdr": 0.867821455001831,
|
| 38 |
+
"framework": 0.7159650921821594,
|
| 39 |
+
"cdr_fw_aligned": 0.9629098773002625,
|
| 40 |
+
"cdr1": 0.38212135434150696,
|
| 41 |
+
"cdr2": 0.39010265469551086,
|
| 42 |
+
"cdr3": 1.0182908773422241,
|
| 43 |
+
"cdr1_fw_aligned": 0.6385878324508667,
|
| 44 |
+
"cdr2_fw_aligned": 0.4867549240589142,
|
| 45 |
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"cdr3_fw_aligned": 1.4487603902816772,
|
| 46 |
+
"num_residues": 107,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 932,
|
| 51 |
+
"num_gt_atoms": 512,
|
| 52 |
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"num_aligned_atoms": 512
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
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|
| 56 |
+
"num_gt_atoms": 428,
|
| 57 |
+
"num_aligned_atoms": 428
|
| 58 |
+
}
|
| 59 |
+
}
|
8r8k_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r8k_H_L_A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.8309166431427002,
|
| 7 |
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"cdr": 2.3027473390102386,
|
| 8 |
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"framework": 1.1563947200775146,
|
| 9 |
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"cdr_fw_aligned": 3.3471899926662445
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 3267,
|
| 12 |
+
"num_gt_atoms": 1783,
|
| 13 |
+
"num_aligned_atoms": 1648,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.5044383226201408,
|
| 16 |
+
"gt_coverage": 0.9242849130678632,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
+
"total": 2.3969593048095703,
|
| 22 |
+
"cdr": 3.757249593734741,
|
| 23 |
+
"framework": 0.9768142700195312,
|
| 24 |
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"cdr_fw_aligned": 5.754824638366699,
|
| 25 |
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"cdr1": 0.5394163727760315,
|
| 26 |
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"cdr2": 1.6795977354049683,
|
| 27 |
+
"cdr3": 3.204949378967285,
|
| 28 |
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"cdr1_fw_aligned": 0.9299200177192688,
|
| 29 |
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"cdr2_fw_aligned": 2.572012424468994,
|
| 30 |
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"cdr3_fw_aligned": 7.5576324462890625,
|
| 31 |
+
"num_residues": 128,
|
| 32 |
+
"num_cdr_residues": 32
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
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|
| 37 |
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|
| 38 |
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"framework": 1.335975170135498,
|
| 39 |
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|
| 40 |
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|
| 41 |
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"cdr2": 0.46865227818489075,
|
| 42 |
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"cdr3": 1.0431913137435913,
|
| 43 |
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"cdr1_fw_aligned": 0.8554334044456482,
|
| 44 |
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"cdr2_fw_aligned": 0.5902495980262756,
|
| 45 |
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"cdr3_fw_aligned": 1.2141774892807007,
|
| 46 |
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"num_residues": 107,
|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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"num_gt_atoms": 981,
|
| 52 |
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"num_aligned_atoms": 905
|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 1584,
|
| 56 |
+
"num_gt_atoms": 802,
|
| 57 |
+
"num_aligned_atoms": 743
|
| 58 |
+
}
|
| 59 |
+
}
|
8r9y_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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|
|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8r9y_B_C_A_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.6561043858528137,
|
| 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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|
| 16 |
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"gt_coverage": 0.9585780525502319,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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"total": 2.021322011947632,
|
| 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": 0.5295124053955078,
|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 3.1238646507263184,
|
| 29 |
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|
| 30 |
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"cdr3_fw_aligned": 3.2158849239349365,
|
| 31 |
+
"num_residues": 218,
|
| 32 |
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"num_cdr_residues": 27
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
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"chain_id": "C",
|
| 36 |
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"total": 1.2908867597579956,
|
| 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": 0.7175809741020203,
|
| 43 |
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"cdr1_fw_aligned": 1.6220736503601074,
|
| 44 |
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"cdr2_fw_aligned": 0.9687548279762268,
|
| 45 |
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"cdr3_fw_aligned": 1.533469796180725,
|
| 46 |
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"num_residues": 209,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 1572,
|
| 51 |
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"num_gt_atoms": 1613,
|
| 52 |
+
"num_aligned_atoms": 1553
|
| 53 |
+
},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
+
"num_gt_atoms": 1622,
|
| 57 |
+
"num_aligned_atoms": 1548
|
| 58 |
+
}
|
| 59 |
+
}
|
8r9y_B_C_A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
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|
|
|
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|
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|
|
|
|
|
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|
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|
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|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r9y_B_C_A_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.515776515007019,
|
| 7 |
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"cdr": 2.36863774061203,
|
| 8 |
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"framework": 2.2032041549682617,
|
| 9 |
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"cdr_fw_aligned": 4.720964670181274
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 3132,
|
| 12 |
+
"num_gt_atoms": 3235,
|
| 13 |
+
"num_aligned_atoms": 3101,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9901021711366539,
|
| 16 |
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"gt_coverage": 0.9585780525502319,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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"total": 2.8318421840667725,
|
| 22 |
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"cdr": 3.983536958694458,
|
| 23 |
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"framework": 2.2516536712646484,
|
| 24 |
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"cdr_fw_aligned": 6.561498165130615,
|
| 25 |
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"cdr1": 2.2484312057495117,
|
| 26 |
+
"cdr2": 0.41678377985954285,
|
| 27 |
+
"cdr3": 3.7951526641845703,
|
| 28 |
+
"cdr1_fw_aligned": 3.596224546432495,
|
| 29 |
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"cdr2_fw_aligned": 2.713264226913452,
|
| 30 |
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"cdr3_fw_aligned": 8.432882308959961,
|
| 31 |
+
"num_residues": 218,
|
| 32 |
+
"num_cdr_residues": 27
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "C",
|
| 36 |
+
"total": 2.1997108459472656,
|
| 37 |
+
"cdr": 0.753738522529602,
|
| 38 |
+
"framework": 2.154754638671875,
|
| 39 |
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"cdr_fw_aligned": 2.8804311752319336,
|
| 40 |
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"cdr1": 0.7970746755599976,
|
| 41 |
+
"cdr2": 0.43268370628356934,
|
| 42 |
+
"cdr3": 0.7106785774230957,
|
| 43 |
+
"cdr1_fw_aligned": 3.203212022781372,
|
| 44 |
+
"cdr2_fw_aligned": 2.5083470344543457,
|
| 45 |
+
"cdr3_fw_aligned": 2.7338104248046875,
|
| 46 |
+
"num_residues": 209,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 1572,
|
| 51 |
+
"num_gt_atoms": 1613,
|
| 52 |
+
"num_aligned_atoms": 1553
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 1560,
|
| 56 |
+
"num_gt_atoms": 1622,
|
| 57 |
+
"num_aligned_atoms": 1548
|
| 58 |
+
}
|
| 59 |
+
}
|
8r9y_B_C_A_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
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|
| 1 |
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| 2 |
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| 3 |
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| 4 |
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| 6 |
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| 10 |
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| 12 |
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| 13 |
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| 14 |
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| 15 |
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| 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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| 25 |
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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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| 49 |
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| 53 |
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| 58 |
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| 59 |
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|
8r9y_B_C_A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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|
| 1 |
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{
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| 2 |
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"entry": "8r9y_B_C_A_sample_3",
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| 3 |
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| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 10 |
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| 12 |
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| 13 |
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| 14 |
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| 15 |
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| 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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| 30 |
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| 31 |
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|
| 33 |
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| 34 |
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| 35 |
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| 48 |
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| 57 |
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|
| 58 |
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|
| 59 |
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|
8r9y_B_C_A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
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|
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|
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|
| 1 |
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{
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| 2 |
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| 3 |
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| 4 |
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| 10 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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| 19 |
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| 30 |
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| 33 |
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| 34 |
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|
| 35 |
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| 48 |
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|
| 49 |
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| 50 |
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| 53 |
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| 54 |
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| 55 |
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|
| 56 |
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| 57 |
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|
| 58 |
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}
|
| 59 |
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|
8r9z_B_C_A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
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|
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|
| 1 |
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{
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| 2 |
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| 3 |
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|
| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 10 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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| 16 |
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| 17 |
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|
| 18 |
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|
| 19 |
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| 20 |
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|
| 21 |
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| 22 |
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|
| 25 |
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| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
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| 38 |
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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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|
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|
| 52 |
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| 53 |
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| 54 |
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| 57 |
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|
| 58 |
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}
|
| 59 |
+
}
|
8r9z_B_C_A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
| 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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"chain_id": "B",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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| 39 |
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|
| 40 |
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|
| 41 |
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| 42 |
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| 43 |
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|
| 44 |
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| 45 |
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| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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| 57 |
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|
| 58 |
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|
| 59 |
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}
|
8r9z_H_L_A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
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|
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|
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|
|
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|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8r9z_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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"full_coverage": true
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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}
|
| 59 |
+
}
|
8rek_H_L_A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
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|
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|
|
|
|
|
|
|
|
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|
|
|
|
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|
|
|
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|
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|
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|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8rek_H_L_A_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
+
}
|
| 59 |
+
}
|
8rek_H_L_A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8rek_H_L_A_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"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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|
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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 |
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}
|
| 59 |
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}
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