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- 7vgs_D_C_A_sample_4_rmsd_backbone.json +59 -0
- 8e1m_H_L_C_sample_0_rmsd.json +59 -0
- 8q7o_A__C_sample_3_rmsd.json +39 -0
- 8q7s_F__D_sample_2_rmsd_backbone.json +39 -0
- 8q7s_F__D_sample_4_rmsd.json +39 -0
- 8q94_C__A_sample_3_rmsd_backbone.json +39 -0
- 8qf5_G__H_sample_0_rmsd_backbone.json +39 -0
- 8qf5_G__H_sample_4_rmsd.json +39 -0
- 8qot_B__A_sample_4_rmsd_backbone.json +39 -0
- 8qq0_E_D_A_sample_3_rmsd_backbone.json +59 -0
- 8qz1_C__B_sample_1_rmsd_backbone.json +39 -0
- 8qz3_C__B_sample_2_rmsd_backbone.json +39 -0
- 8qz6_B__A_sample_0_rmsd.json +39 -0
- 8qz6_B__A_sample_3_rmsd.json +39 -0
- 8qz6_B__A_sample_3_rmsd_backbone.json +39 -0
- 8r1c_H_L_A_sample_1_rmsd_backbone.json +59 -0
- 8r1c_H_L_A_sample_4_rmsd_backbone.json +59 -0
- 8r40_A_a_C_sample_0_rmsd.json +59 -0
- 8r40_A_a_C_sample_3_rmsd.json +59 -0
- 8r40_A_a_C_sample_3_rmsd_backbone.json +59 -0
- 8r4b_B__A_sample_2_rmsd.json +39 -0
- 8r4b_B__A_sample_3_rmsd.json +39 -0
- 8r4d_B__A_sample_3_rmsd_backbone.json +39 -0
- 8r80_H_L_R_sample_1_rmsd.json +59 -0
- 8r8k_H_L_A_sample_0_rmsd_backbone.json +59 -0
- 8r9y_B_C_A_sample_1_rmsd_backbone.json +59 -0
- 8r9z_B_C_A_sample_4_rmsd.json +59 -0
- 8r9z_H_L_A_sample_3_rmsd_backbone.json +59 -0
- 8rh0_H_L_A_sample_3_rmsd_backbone.json +59 -0
- 8rrn_H_L_A_sample_1_rmsd_backbone.json +59 -0
- 8rrn_H_L_A_sample_3_rmsd.json +59 -0
- 8rz1_A_a_B_sample_2_rmsd_backbone.json +59 -0
- 8rz2_B_C_A_sample_2_rmsd_backbone.json +59 -0
- 8s0l_B__A_sample_2_rmsd.json +39 -0
- 8s5w_B__A_sample_0_rmsd.json +39 -0
- 8s61_B__A_sample_0_rmsd_backbone.json +39 -0
- 8sdg_G_I_C_sample_0_rmsd.json +59 -0
- 8sfx_D__B_sample_0_rmsd_backbone.json +39 -0
- 8sgi_H_L_A_sample_0_rmsd.json +59 -0
- 8sgi_H_L_A_sample_2_rmsd.json +59 -0
- 8sgi_H_L_A_sample_2_rmsd_backbone.json +59 -0
- 8sgi_H_L_A_sample_3_rmsd.json +59 -0
- 8sgi_H_L_A_sample_4_rmsd.json +59 -0
- 8sgj_H_L_A_sample_1_rmsd.json +59 -0
- 8sgj_H_L_A_sample_2_rmsd.json +59 -0
- 8sit_H_L_A_sample_4_rmsd.json +59 -0
- 8smk_B_C_A_sample_3_rmsd_backbone.json +59 -0
- 8smm_H_L_A_sample_1_rmsd_backbone.json +59 -0
- 8smn_H_L_A_sample_4_rmsd.json +59 -0
- 8smn_H_L_A_sample_4_rmsd_backbone.json +59 -0
7vgs_D_C_A_sample_4_rmsd_backbone.json
ADDED
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{
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"entry": "7vgs_D_C_A_sample_4",
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"rmsd": {
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"alignment_coverage": {
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"pred_coverage": 0.9642058165548099,
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"cdr2": 0.8438831567764282,
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"cdr3": 0.4293396770954132,
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"cdr1_fw_aligned": 3.745014190673828,
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"cdr2_fw_aligned": 1.8646001815795898,
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"cdr3_fw_aligned": 1.0350697040557861,
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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": 1.214154839515686,
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"cdr": 1.6690646409988403,
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"framework": 1.0125325918197632,
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"cdr1_fw_aligned": 2.343118906021118,
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"num_residues": 218,
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}
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8e1m_H_L_C_sample_0_rmsd.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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"error": null,
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"rmsd": {
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"num_pred_atoms": 3527,
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"num_gt_atoms": 1738,
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"num_residues": 117,
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}
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| 59 |
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}
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8q7o_A__C_sample_3_rmsd.json
ADDED
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{
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"entry": "8q7o_A__C_sample_3",
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| 3 |
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"success": true,
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| 4 |
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"error": null,
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| 5 |
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"rmsd": {
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| 6 |
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| 10 |
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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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| 33 |
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| 38 |
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}
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| 39 |
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}
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8q7s_F__D_sample_2_rmsd_backbone.json
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{
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"entry": "8q7s_F__D_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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| 6 |
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| 7 |
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| 8 |
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"cdr_fw_aligned": 3.2902398109436035
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| 10 |
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},
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| 11 |
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"num_pred_atoms": 524,
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| 12 |
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"num_gt_atoms": 512,
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| 13 |
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"num_aligned_atoms": 512,
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| 14 |
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"alignment_coverage": {
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| 15 |
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"pred_coverage": 0.9770992366412213,
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| 16 |
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"gt_coverage": 1.0,
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| 17 |
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"full_coverage": false
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| 18 |
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},
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| 19 |
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"heavy_chain": {
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| 20 |
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"chain_id": "F",
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| 21 |
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"total": 1.6716665029525757,
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| 22 |
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"cdr": 2.9528346061706543,
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| 23 |
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"framework": 0.5244823098182678,
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| 24 |
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"cdr_fw_aligned": 3.2902398109436035,
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| 25 |
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"cdr1": 2.2990024089813232,
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| 26 |
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"cdr2": 0.27428004145622253,
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| 27 |
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"cdr3": 2.9806721210479736,
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| 28 |
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"cdr1_fw_aligned": 4.365396022796631,
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| 29 |
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"cdr2_fw_aligned": 0.7394929528236389,
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| 30 |
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"cdr3_fw_aligned": 3.3225228786468506,
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| 31 |
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"num_residues": 128,
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| 32 |
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"num_cdr_residues": 32
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| 33 |
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},
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| 34 |
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"heavy_chain_atom_counts": {
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| 35 |
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"num_pred_atoms": 524,
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| 36 |
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"num_gt_atoms": 512,
|
| 37 |
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"num_aligned_atoms": 512
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| 38 |
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}
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| 39 |
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}
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8q7s_F__D_sample_4_rmsd.json
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8q7s_F__D_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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"chain_id": "F",
|
| 21 |
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|
| 22 |
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| 23 |
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"framework": 1.1729134321212769,
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| 24 |
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"cdr_fw_aligned": 3.422363519668579,
|
| 25 |
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"cdr1": 2.5974009037017822,
|
| 26 |
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"cdr2": 0.655174732208252,
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| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 4.318266868591309,
|
| 29 |
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"cdr2_fw_aligned": 1.1223819255828857,
|
| 30 |
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"cdr3_fw_aligned": 3.5348880290985107,
|
| 31 |
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"num_residues": 128,
|
| 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": 966,
|
| 37 |
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"num_aligned_atoms": 892
|
| 38 |
+
}
|
| 39 |
+
}
|
8q94_C__A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8q94_C__A_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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"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": 0.9621212121212122,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "C",
|
| 21 |
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"total": 2.0842275619506836,
|
| 22 |
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"cdr": 3.472130537033081,
|
| 23 |
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"framework": 0.8584587574005127,
|
| 24 |
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"cdr_fw_aligned": 4.066284656524658,
|
| 25 |
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"cdr1": 1.9696686267852783,
|
| 26 |
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"cdr2": 0.7191473245620728,
|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 4.336092472076416,
|
| 29 |
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"cdr2_fw_aligned": 1.3385801315307617,
|
| 30 |
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"cdr3_fw_aligned": 4.5116658210754395,
|
| 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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"num_pred_atoms": 528,
|
| 36 |
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"num_gt_atoms": 508,
|
| 37 |
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"num_aligned_atoms": 508
|
| 38 |
+
}
|
| 39 |
+
}
|
8qf5_G__H_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
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|
|
|
|
|
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|
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|
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|
|
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|
|
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|
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|
|
|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
+
"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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"num_gt_atoms": 480,
|
| 13 |
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"num_aligned_atoms": 480,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 1.0,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": true
|
| 18 |
+
},
|
| 19 |
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|
| 20 |
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"chain_id": "G",
|
| 21 |
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|
| 22 |
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"cdr": 3.6415317058563232,
|
| 23 |
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"framework": 1.4778697490692139,
|
| 24 |
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|
| 25 |
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"cdr1": 2.9687867164611816,
|
| 26 |
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"cdr2": 0.24397793412208557,
|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 3.999535083770752,
|
| 29 |
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"cdr2_fw_aligned": 0.8377283215522766,
|
| 30 |
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|
| 31 |
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"num_residues": 120,
|
| 32 |
+
"num_cdr_residues": 22
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 480,
|
| 36 |
+
"num_gt_atoms": 480,
|
| 37 |
+
"num_aligned_atoms": 480
|
| 38 |
+
}
|
| 39 |
+
}
|
8qf5_G__H_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qf5_G__H_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 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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"num_residues": 120,
|
| 32 |
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"num_cdr_residues": 22
|
| 33 |
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},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
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"num_gt_atoms": 894,
|
| 37 |
+
"num_aligned_atoms": 851
|
| 38 |
+
}
|
| 39 |
+
}
|
8qot_B__A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qot_B__A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.6117191314697266,
|
| 7 |
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"cdr": 2.0172741413116455,
|
| 8 |
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|
| 9 |
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"cdr_fw_aligned": 3.7674851417541504
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 684,
|
| 12 |
+
"num_gt_atoms": 500,
|
| 13 |
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"num_aligned_atoms": 500,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.7309941520467836,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
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},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
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"total": 1.6117191314697266,
|
| 22 |
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"cdr": 2.0172741413116455,
|
| 23 |
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"framework": 0.8679555058479309,
|
| 24 |
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"cdr_fw_aligned": 3.7674851417541504,
|
| 25 |
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"cdr1": 1.2069047689437866,
|
| 26 |
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"cdr2": 0.1776154339313507,
|
| 27 |
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"cdr3": 0.8760296106338501,
|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 0.909957766532898,
|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 27
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 684,
|
| 36 |
+
"num_gt_atoms": 500,
|
| 37 |
+
"num_aligned_atoms": 500
|
| 38 |
+
}
|
| 39 |
+
}
|
8qq0_E_D_A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qq0_E_D_A_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.989080548286438,
|
| 7 |
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"cdr": 3.205689787864685,
|
| 8 |
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"framework": 1.1290045976638794,
|
| 9 |
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"cdr_fw_aligned": 3.541622757911682
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 1780,
|
| 12 |
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"num_gt_atoms": 924,
|
| 13 |
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"num_aligned_atoms": 924,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "E",
|
| 21 |
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"total": 1.6399283409118652,
|
| 22 |
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"cdr": 2.804826021194458,
|
| 23 |
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"framework": 1.0242719650268555,
|
| 24 |
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"cdr_fw_aligned": 3.01778244972229,
|
| 25 |
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"cdr1": 0.7172965407371521,
|
| 26 |
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"cdr2": 0.2895437479019165,
|
| 27 |
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"cdr3": 2.8849129676818848,
|
| 28 |
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"cdr1_fw_aligned": 1.7964296340942383,
|
| 29 |
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"cdr2_fw_aligned": 0.970415472984314,
|
| 30 |
+
"cdr3_fw_aligned": 4.00520133972168,
|
| 31 |
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"num_residues": 120,
|
| 32 |
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"num_cdr_residues": 26
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
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"chain_id": "D",
|
| 36 |
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"total": 2.3382327556610107,
|
| 37 |
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"cdr": 3.606553554534912,
|
| 38 |
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"framework": 1.2337372303009033,
|
| 39 |
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"cdr_fw_aligned": 4.065463066101074,
|
| 40 |
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"cdr1": 3.9726438522338867,
|
| 41 |
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"cdr2": 0.54867023229599,
|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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"cdr3_fw_aligned": 3.8263912200927734,
|
| 46 |
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"num_residues": 111,
|
| 47 |
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"num_cdr_residues": 31
|
| 48 |
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},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 916,
|
| 51 |
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"num_gt_atoms": 480,
|
| 52 |
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"num_aligned_atoms": 480
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 864,
|
| 56 |
+
"num_gt_atoms": 444,
|
| 57 |
+
"num_aligned_atoms": 444
|
| 58 |
+
}
|
| 59 |
+
}
|
8qz1_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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|
|
|
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|
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|
|
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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": "8qz1_C__B_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 2.0718231201171875,
|
| 7 |
+
"cdr": 3.197803020477295,
|
| 8 |
+
"framework": 1.119260311126709,
|
| 9 |
+
"cdr_fw_aligned": 4.108107089996338
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 544,
|
| 12 |
+
"num_gt_atoms": 516,
|
| 13 |
+
"num_aligned_atoms": 516,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9485294117647058,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
+
"total": 2.0718231201171875,
|
| 22 |
+
"cdr": 3.197803020477295,
|
| 23 |
+
"framework": 1.119260311126709,
|
| 24 |
+
"cdr_fw_aligned": 4.108107089996338,
|
| 25 |
+
"cdr1": 2.105039119720459,
|
| 26 |
+
"cdr2": 0.30764755606651306,
|
| 27 |
+
"cdr3": 2.6602180004119873,
|
| 28 |
+
"cdr1_fw_aligned": 4.445672988891602,
|
| 29 |
+
"cdr2_fw_aligned": 2.750974416732788,
|
| 30 |
+
"cdr3_fw_aligned": 4.355806827545166,
|
| 31 |
+
"num_residues": 129,
|
| 32 |
+
"num_cdr_residues": 30
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 544,
|
| 36 |
+
"num_gt_atoms": 516,
|
| 37 |
+
"num_aligned_atoms": 516
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz3_C__B_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
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|
|
|
|
|
|
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|
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|
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|
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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 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.067836046218872,
|
| 7 |
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"cdr": 1.753113031387329,
|
| 8 |
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"framework": 0.6433811783790588,
|
| 9 |
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"cdr_fw_aligned": 1.8683828115463257
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 548,
|
| 12 |
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"num_gt_atoms": 508,
|
| 13 |
+
"num_aligned_atoms": 508,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.927007299270073,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
+
"total": 1.067836046218872,
|
| 22 |
+
"cdr": 1.753113031387329,
|
| 23 |
+
"framework": 0.6433811783790588,
|
| 24 |
+
"cdr_fw_aligned": 1.8683828115463257,
|
| 25 |
+
"cdr1": 1.237563967704773,
|
| 26 |
+
"cdr2": 0.38181591033935547,
|
| 27 |
+
"cdr3": 1.6164847612380981,
|
| 28 |
+
"cdr1_fw_aligned": 1.7399485111236572,
|
| 29 |
+
"cdr2_fw_aligned": 1.3456246852874756,
|
| 30 |
+
"cdr3_fw_aligned": 2.056971549987793,
|
| 31 |
+
"num_residues": 127,
|
| 32 |
+
"num_cdr_residues": 31
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 548,
|
| 36 |
+
"num_gt_atoms": 508,
|
| 37 |
+
"num_aligned_atoms": 508
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz6_B__A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
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|
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|
|
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|
|
|
|
|
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|
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|
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|
|
|
|
|
|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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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 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.050637722015381,
|
| 7 |
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"cdr": 3.7060163021087646,
|
| 8 |
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"framework": 1.308826208114624,
|
| 9 |
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"cdr_fw_aligned": 3.899709701538086
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 996,
|
| 12 |
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"num_gt_atoms": 913,
|
| 13 |
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"num_aligned_atoms": 838,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.8413654618473896,
|
| 16 |
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"gt_coverage": 0.9178532311062432,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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"total": 2.050637722015381,
|
| 22 |
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"cdr": 3.7060163021087646,
|
| 23 |
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"framework": 1.308826208114624,
|
| 24 |
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"cdr_fw_aligned": 3.899709701538086,
|
| 25 |
+
"cdr1": 2.08095645904541,
|
| 26 |
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"cdr2": 1.951724886894226,
|
| 27 |
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"cdr3": 3.3136610984802246,
|
| 28 |
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"cdr1_fw_aligned": 2.5896694660186768,
|
| 29 |
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"cdr2_fw_aligned": 2.9774651527404785,
|
| 30 |
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"cdr3_fw_aligned": 4.550182342529297,
|
| 31 |
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"num_residues": 124,
|
| 32 |
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"num_cdr_residues": 30
|
| 33 |
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},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
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"num_pred_atoms": 996,
|
| 36 |
+
"num_gt_atoms": 913,
|
| 37 |
+
"num_aligned_atoms": 838
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz6_B__A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz6_B__A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.9875060319900513,
|
| 7 |
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|
| 8 |
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|
| 9 |
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"cdr_fw_aligned": 3.6228010654449463
|
| 10 |
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},
|
| 11 |
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|
| 12 |
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"num_gt_atoms": 913,
|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.8413654618473896,
|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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"chain_id": "B",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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"cdr_fw_aligned": 3.6228010654449463,
|
| 25 |
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"cdr1": 2.018019437789917,
|
| 26 |
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"cdr2": 1.351308822631836,
|
| 27 |
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|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 3.205034017562866,
|
| 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": 838
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz6_B__A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz6_B__A_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.7982779741287231,
|
| 7 |
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"cdr": 3.092881441116333,
|
| 8 |
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"framework": 1.0053091049194336,
|
| 9 |
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"cdr_fw_aligned": 3.2954680919647217
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 544,
|
| 12 |
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"num_gt_atoms": 496,
|
| 13 |
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"num_aligned_atoms": 496,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9117647058823529,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
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"total": 1.7982779741287231,
|
| 22 |
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"cdr": 3.092881441116333,
|
| 23 |
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"framework": 1.0053091049194336,
|
| 24 |
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"cdr_fw_aligned": 3.2954680919647217,
|
| 25 |
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"cdr1": 1.812361717224121,
|
| 26 |
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"cdr2": 1.0858781337738037,
|
| 27 |
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"cdr3": 2.703582763671875,
|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
+
},
|
| 34 |
+
"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 |
+
}
|
8r1c_H_L_A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
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|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r1c_H_L_A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.3364291787147522,
|
| 7 |
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"cdr": 2.2365057468414307,
|
| 8 |
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"framework": 0.6049420535564423,
|
| 9 |
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"cdr_fw_aligned": 2.4302254915237427
|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9957264957264957,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 0.9695267677307129,
|
| 22 |
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"cdr": 1.7180030345916748,
|
| 23 |
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"framework": 0.5724188685417175,
|
| 24 |
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"cdr_fw_aligned": 1.7484381198883057,
|
| 25 |
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"cdr1": 0.8738836050033569,
|
| 26 |
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"cdr2": 0.19164809584617615,
|
| 27 |
+
"cdr3": 2.025770664215088,
|
| 28 |
+
"cdr1_fw_aligned": 1.2796334028244019,
|
| 29 |
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"cdr2_fw_aligned": 0.6654666662216187,
|
| 30 |
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"cdr3_fw_aligned": 2.2143256664276123,
|
| 31 |
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"num_residues": 124,
|
| 32 |
+
"num_cdr_residues": 28
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
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"total": 1.7033315896987915,
|
| 37 |
+
"cdr": 2.7550084590911865,
|
| 38 |
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"framework": 0.637465238571167,
|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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"cdr3": 2.064188003540039,
|
| 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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"num_gt_atoms": 496,
|
| 52 |
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"num_aligned_atoms": 496
|
| 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 |
+
}
|
8r1c_H_L_A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
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|
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|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r1c_H_L_A_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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}
|
| 59 |
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|
8r40_A_a_C_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8r40_A_a_C_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 1664
|
| 58 |
+
}
|
| 59 |
+
}
|
8r40_A_a_C_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
|
|
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|
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|
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|
|
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|
|
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|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8r40_A_a_C_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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| 23 |
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|
| 25 |
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| 26 |
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|
| 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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|
| 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 |
+
}
|
8r40_A_a_C_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
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|
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|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8r40_A_a_C_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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"total": 13.073443412780762,
|
| 7 |
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|
| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 25 |
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| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
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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 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 1048,
|
| 51 |
+
"num_gt_atoms": 968,
|
| 52 |
+
"num_aligned_atoms": 968
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 1048,
|
| 56 |
+
"num_gt_atoms": 968,
|
| 57 |
+
"num_aligned_atoms": 968
|
| 58 |
+
}
|
| 59 |
+
}
|
8r4b_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r4b_B__A_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 2.820782423019409,
|
| 7 |
+
"cdr": 3.5589804649353027,
|
| 8 |
+
"framework": 2.1567599773406982,
|
| 9 |
+
"cdr_fw_aligned": 4.817856311798096
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1016,
|
| 12 |
+
"num_gt_atoms": 769,
|
| 13 |
+
"num_aligned_atoms": 730,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.718503937007874,
|
| 16 |
+
"gt_coverage": 0.9492847854356307,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
+
"total": 2.820782423019409,
|
| 22 |
+
"cdr": 3.5589804649353027,
|
| 23 |
+
"framework": 2.1567599773406982,
|
| 24 |
+
"cdr_fw_aligned": 4.817856311798096,
|
| 25 |
+
"cdr1": 1.136195421218872,
|
| 26 |
+
"cdr2": 1.767202377319336,
|
| 27 |
+
"cdr3": 2.57122540473938,
|
| 28 |
+
"cdr1_fw_aligned": 2.9235949516296387,
|
| 29 |
+
"cdr2_fw_aligned": 7.120394706726074,
|
| 30 |
+
"cdr3_fw_aligned": 4.3561224937438965,
|
| 31 |
+
"num_residues": 107,
|
| 32 |
+
"num_cdr_residues": 28
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 1016,
|
| 36 |
+
"num_gt_atoms": 769,
|
| 37 |
+
"num_aligned_atoms": 730
|
| 38 |
+
}
|
| 39 |
+
}
|
8r4b_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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|
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|
|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r4b_B__A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 3.1276907920837402,
|
| 7 |
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"cdr": 4.120104789733887,
|
| 8 |
+
"framework": 2.368650197982788,
|
| 9 |
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"cdr_fw_aligned": 5.365893840789795
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1016,
|
| 12 |
+
"num_gt_atoms": 769,
|
| 13 |
+
"num_aligned_atoms": 730,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.718503937007874,
|
| 16 |
+
"gt_coverage": 0.9492847854356307,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
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"total": 3.1276907920837402,
|
| 22 |
+
"cdr": 4.120104789733887,
|
| 23 |
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"framework": 2.368650197982788,
|
| 24 |
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"cdr_fw_aligned": 5.365893840789795,
|
| 25 |
+
"cdr1": 1.5088862180709839,
|
| 26 |
+
"cdr2": 1.8552933931350708,
|
| 27 |
+
"cdr3": 2.208495855331421,
|
| 28 |
+
"cdr1_fw_aligned": 2.555251121520996,
|
| 29 |
+
"cdr2_fw_aligned": 7.664144039154053,
|
| 30 |
+
"cdr3_fw_aligned": 5.189322471618652,
|
| 31 |
+
"num_residues": 107,
|
| 32 |
+
"num_cdr_residues": 28
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 1016,
|
| 36 |
+
"num_gt_atoms": 769,
|
| 37 |
+
"num_aligned_atoms": 730
|
| 38 |
+
}
|
| 39 |
+
}
|
8r4d_B__A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r4d_B__A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
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"total": 2.8169946670532227,
|
| 7 |
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"cdr": 3.9654555320739746,
|
| 8 |
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"framework": 1.5053622722625732,
|
| 9 |
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"cdr_fw_aligned": 5.156141757965088
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 548,
|
| 12 |
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"num_gt_atoms": 428,
|
| 13 |
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"num_aligned_atoms": 428,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.781021897810219,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
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"total": 2.8169946670532227,
|
| 22 |
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"cdr": 3.9654555320739746,
|
| 23 |
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"framework": 1.5053622722625732,
|
| 24 |
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"cdr_fw_aligned": 5.156141757965088,
|
| 25 |
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"cdr1": 1.247726559638977,
|
| 26 |
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"cdr2": 1.4580578804016113,
|
| 27 |
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"cdr3": 2.006300210952759,
|
| 28 |
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"cdr1_fw_aligned": 2.6485395431518555,
|
| 29 |
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"cdr2_fw_aligned": 7.4835004806518555,
|
| 30 |
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"cdr3_fw_aligned": 4.894079685211182,
|
| 31 |
+
"num_residues": 107,
|
| 32 |
+
"num_cdr_residues": 28
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 548,
|
| 36 |
+
"num_gt_atoms": 428,
|
| 37 |
+
"num_aligned_atoms": 428
|
| 38 |
+
}
|
| 39 |
+
}
|
8r80_H_L_R_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8r80_H_L_R_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.5627455115318298,
|
| 7 |
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"cdr": 2.0937258899211884,
|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9810794044665012,
|
| 16 |
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"gt_coverage": 0.9678702570379437,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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"total": 1.7852941751480103,
|
| 22 |
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|
| 23 |
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"framework": 1.4203852415084839,
|
| 24 |
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|
| 25 |
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"cdr1": 0.6161022782325745,
|
| 26 |
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"cdr2": 0.5594021677970886,
|
| 27 |
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|
| 28 |
+
"cdr1_fw_aligned": 3.0616719722747803,
|
| 29 |
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|
| 30 |
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"cdr3_fw_aligned": 5.449120998382568,
|
| 31 |
+
"num_residues": 220,
|
| 32 |
+
"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 1.3401968479156494,
|
| 37 |
+
"cdr": 0.8238064646720886,
|
| 38 |
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"framework": 1.3236665725708008,
|
| 39 |
+
"cdr_fw_aligned": 1.6832482814788818,
|
| 40 |
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"cdr1": 0.49982091784477234,
|
| 41 |
+
"cdr2": 0.38786977529525757,
|
| 42 |
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"cdr3": 0.8819361925125122,
|
| 43 |
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"cdr1_fw_aligned": 1.7842113971710205,
|
| 44 |
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"cdr2_fw_aligned": 1.5425522327423096,
|
| 45 |
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"cdr3_fw_aligned": 1.658192753791809,
|
| 46 |
+
"num_residues": 214,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 1629,
|
| 51 |
+
"num_gt_atoms": 1615,
|
| 52 |
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"num_aligned_atoms": 1576
|
| 53 |
+
},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 1595,
|
| 56 |
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"num_gt_atoms": 1653,
|
| 57 |
+
"num_aligned_atoms": 1587
|
| 58 |
+
}
|
| 59 |
+
}
|
8r8k_H_L_A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r8k_H_L_A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.698588788509369,
|
| 7 |
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"cdr": 2.187329441308975,
|
| 8 |
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"framework": 0.6889144480228424,
|
| 9 |
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"cdr_fw_aligned": 3.3759557008743286
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 1788,
|
| 12 |
+
"num_gt_atoms": 940,
|
| 13 |
+
"num_aligned_atoms": 940,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.5257270693512305,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
+
"total": 2.545100688934326,
|
| 22 |
+
"cdr": 3.5669281482696533,
|
| 23 |
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"framework": 0.5414343476295471,
|
| 24 |
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"cdr_fw_aligned": 5.809476375579834,
|
| 25 |
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"cdr1": 0.39892691373825073,
|
| 26 |
+
"cdr2": 2.032413959503174,
|
| 27 |
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"cdr3": 2.7690346240997314,
|
| 28 |
+
"cdr1_fw_aligned": 0.8742907047271729,
|
| 29 |
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"cdr2_fw_aligned": 3.301826000213623,
|
| 30 |
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"cdr3_fw_aligned": 7.621311187744141,
|
| 31 |
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"num_residues": 128,
|
| 32 |
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"num_cdr_residues": 32
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
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"total": 0.8520768880844116,
|
| 37 |
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"cdr": 0.8077307343482971,
|
| 38 |
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"framework": 0.8363945484161377,
|
| 39 |
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"cdr_fw_aligned": 0.9424350261688232,
|
| 40 |
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"cdr1": 0.6176827549934387,
|
| 41 |
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"cdr2": 0.3897261619567871,
|
| 42 |
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"cdr3": 0.8704729676246643,
|
| 43 |
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"cdr1_fw_aligned": 0.8418400287628174,
|
| 44 |
+
"cdr2_fw_aligned": 0.6704697012901306,
|
| 45 |
+
"cdr3_fw_aligned": 1.203633189201355,
|
| 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 |
+
"num_aligned_atoms": 512
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 856,
|
| 56 |
+
"num_gt_atoms": 428,
|
| 57 |
+
"num_aligned_atoms": 428
|
| 58 |
+
}
|
| 59 |
+
}
|
8r9y_B_C_A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
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|
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|
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|
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|
|
|
|
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|
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|
|
|
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|
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|
|
|
|
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|
|
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|
|
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|
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|
|
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|
|
|
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|
|
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|
|
|
|
|
|
|
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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_1",
|
| 3 |
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|
| 4 |
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|
| 5 |
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|
| 6 |
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| 7 |
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| 8 |
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| 9 |
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| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": true
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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| 22 |
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| 23 |
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| 24 |
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| 25 |
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| 26 |
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| 27 |
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| 28 |
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| 29 |
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| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 41 |
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| 42 |
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| 43 |
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| 44 |
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| 45 |
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| 46 |
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| 47 |
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|
| 48 |
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|
| 49 |
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| 50 |
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| 51 |
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| 52 |
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| 53 |
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| 54 |
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| 55 |
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|
| 56 |
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| 57 |
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|
| 58 |
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}
|
| 59 |
+
}
|
8r9z_B_C_A_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
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|
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|
|
|
|
|
|
|
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|
|
|
|
|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8r9z_B_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 |
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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 |
+
}
|
8r9z_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8r9z_H_L_A_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": true
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 848
|
| 58 |
+
}
|
| 59 |
+
}
|
8rh0_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 |
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"entry": "8rh0_H_L_A_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 2.0007381439208984,
|
| 29 |
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"cdr2_fw_aligned": 0.6985728740692139,
|
| 30 |
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|
| 31 |
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"num_residues": 119,
|
| 32 |
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"num_cdr_residues": 26
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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"total": 1.243228554725647,
|
| 37 |
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|
| 38 |
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"framework": 0.8859109878540039,
|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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"cdr2_fw_aligned": 1.1239113807678223,
|
| 45 |
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|
| 46 |
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"num_residues": 105,
|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
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},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 476
|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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"num_gt_atoms": 420,
|
| 57 |
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"num_aligned_atoms": 420
|
| 58 |
+
}
|
| 59 |
+
}
|
8rrn_H_L_A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
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|
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|
|
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|
|
|
|
|
|
|
|
| 1 |
+
{
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| 2 |
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| 3 |
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| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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| 10 |
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| 11 |
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| 12 |
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| 13 |
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| 14 |
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| 15 |
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| 16 |
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| 17 |
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| 18 |
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| 19 |
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|
| 20 |
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| 21 |
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| 22 |
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| 23 |
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| 24 |
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| 25 |
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| 26 |
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| 27 |
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| 28 |
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| 29 |
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| 30 |
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| 31 |
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| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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| 36 |
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| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 41 |
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| 42 |
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| 43 |
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| 44 |
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| 45 |
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| 46 |
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| 47 |
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| 48 |
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| 49 |
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| 50 |
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| 51 |
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| 52 |
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| 53 |
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| 54 |
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| 55 |
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| 56 |
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| 57 |
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| 58 |
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|
| 59 |
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|
8rrn_H_L_A_sample_3_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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"entry": "8rrn_H_L_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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| 8 |
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| 9 |
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| 10 |
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| 11 |
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| 12 |
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| 13 |
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| 14 |
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| 15 |
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| 16 |
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| 17 |
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| 18 |
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| 19 |
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| 20 |
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| 21 |
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| 22 |
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| 23 |
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| 24 |
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| 25 |
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| 27 |
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| 28 |
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| 29 |
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| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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| 37 |
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| 38 |
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| 40 |
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| 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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|
8rz1_A_a_B_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
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|
|
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|
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|
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|
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|
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|
|
|
|
|
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|
|
|
|
|
|
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|
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|
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|
|
|
|
|
| 1 |
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{
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| 2 |
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"entry": "8rz1_A_a_B_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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| 40 |
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| 41 |
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| 42 |
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|
| 43 |
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| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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}
|
| 59 |
+
}
|
8rz2_B_C_A_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
|
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|
|
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|
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|
|
|
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|
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|
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|
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|
|
|
|
| 1 |
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{
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| 2 |
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"entry": "8rz2_B_C_A_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
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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 |
+
}
|
8s0l_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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|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8s0l_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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|
| 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": 991,
|
| 13 |
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"num_aligned_atoms": 912,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.8547328959700093,
|
| 16 |
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"gt_coverage": 0.9202825428859738,
|
| 17 |
+
"full_coverage": false
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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"chain_id": "B",
|
| 21 |
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|
| 22 |
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|
| 23 |
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"framework": 1.9478824138641357,
|
| 24 |
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"cdr_fw_aligned": 7.34259033203125,
|
| 25 |
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"cdr1": 0.48992303013801575,
|
| 26 |
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"cdr2": 0.32455989718437195,
|
| 27 |
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"cdr3": 6.354974269866943,
|
| 28 |
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"cdr1_fw_aligned": 0.9087409973144531,
|
| 29 |
+
"cdr2_fw_aligned": 1.1961233615875244,
|
| 30 |
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"cdr3_fw_aligned": 9.405118942260742,
|
| 31 |
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"num_residues": 130,
|
| 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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"num_pred_atoms": 1067,
|
| 36 |
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"num_gt_atoms": 991,
|
| 37 |
+
"num_aligned_atoms": 912
|
| 38 |
+
}
|
| 39 |
+
}
|
8s5w_B__A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
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|
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|
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|
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|
|
|
|
|
|
|
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|
|
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|
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|
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|
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|
|
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|
|
|
|
|
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|
|
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|
|
|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8s5w_B__A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
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"total": 2.8885364532470703,
|
| 7 |
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"cdr": 4.923881530761719,
|
| 8 |
+
"framework": 1.3268585205078125,
|
| 9 |
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"cdr_fw_aligned": 6.927450180053711
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 1033,
|
| 12 |
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"num_gt_atoms": 935,
|
| 13 |
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"num_aligned_atoms": 869,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.8412391093901258,
|
| 16 |
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"gt_coverage": 0.9294117647058824,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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"total": 2.8885364532470703,
|
| 22 |
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"cdr": 4.923881530761719,
|
| 23 |
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"framework": 1.3268585205078125,
|
| 24 |
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"cdr_fw_aligned": 6.927450180053711,
|
| 25 |
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"cdr1": 3.3980419635772705,
|
| 26 |
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"cdr2": 1.9139076471328735,
|
| 27 |
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"cdr3": 3.7004189491271973,
|
| 28 |
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"cdr1_fw_aligned": 4.7194294929504395,
|
| 29 |
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"cdr2_fw_aligned": 2.8491859436035156,
|
| 30 |
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"cdr3_fw_aligned": 8.775644302368164,
|
| 31 |
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"num_residues": 122,
|
| 32 |
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"num_cdr_residues": 27
|
| 33 |
+
},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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"num_pred_atoms": 1033,
|
| 36 |
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"num_gt_atoms": 935,
|
| 37 |
+
"num_aligned_atoms": 869
|
| 38 |
+
}
|
| 39 |
+
}
|
8s61_B__A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
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|
|
|
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|
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|
|
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|
|
|
|
|
|
|
|
|
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|
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|
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|
|
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|
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|
|
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|
|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8s61_B__A_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.4350314140319824,
|
| 7 |
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"cdr": 3.803748607635498,
|
| 8 |
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"framework": 0.8005669116973877,
|
| 9 |
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"cdr_fw_aligned": 5.3130669593811035
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 488,
|
| 12 |
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"num_gt_atoms": 488,
|
| 13 |
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"num_aligned_atoms": 488,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 1.0,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
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"total": 2.4350314140319824,
|
| 22 |
+
"cdr": 3.803748607635498,
|
| 23 |
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"framework": 0.8005669116973877,
|
| 24 |
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"cdr_fw_aligned": 5.3130669593811035,
|
| 25 |
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"cdr1": 2.493128538131714,
|
| 26 |
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"cdr2": 0.722621500492096,
|
| 27 |
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"cdr3": 2.956312656402588,
|
| 28 |
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"cdr1_fw_aligned": 3.814117908477783,
|
| 29 |
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"cdr2_fw_aligned": 1.6844772100448608,
|
| 30 |
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"cdr3_fw_aligned": 6.778756618499756,
|
| 31 |
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"num_residues": 122,
|
| 32 |
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"num_cdr_residues": 27
|
| 33 |
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},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
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"num_pred_atoms": 488,
|
| 36 |
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"num_gt_atoms": 488,
|
| 37 |
+
"num_aligned_atoms": 488
|
| 38 |
+
}
|
| 39 |
+
}
|
8sdg_G_I_C_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 |
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{
|
| 2 |
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"entry": "8sdg_G_I_C_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": 1.7312523126602173,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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"cdr1": 0.6190284490585327,
|
| 26 |
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"cdr2": 1.4284770488739014,
|
| 27 |
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"cdr3": 4.2247090339660645,
|
| 28 |
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"cdr1_fw_aligned": 1.6189812421798706,
|
| 29 |
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"cdr2_fw_aligned": 2.3667397499084473,
|
| 30 |
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"cdr3_fw_aligned": 6.751055717468262,
|
| 31 |
+
"num_residues": 219,
|
| 32 |
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"num_cdr_residues": 28
|
| 33 |
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},
|
| 34 |
+
"light_chain": {
|
| 35 |
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"chain_id": "I",
|
| 36 |
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"total": 1.3497555255889893,
|
| 37 |
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|
| 38 |
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"framework": 1.2158448696136475,
|
| 39 |
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"cdr_fw_aligned": 2.2164130210876465,
|
| 40 |
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|
| 41 |
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"cdr2": 0.5390303134918213,
|
| 42 |
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"cdr3": 2.5992696285247803,
|
| 43 |
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"cdr1_fw_aligned": 0.8520965576171875,
|
| 44 |
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"cdr2_fw_aligned": 1.4887675046920776,
|
| 45 |
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"cdr3_fw_aligned": 3.234083652496338,
|
| 46 |
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|
| 47 |
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"num_cdr_residues": 29
|
| 48 |
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},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
+
}
|
| 59 |
+
}
|
8sfx_D__B_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sfx_D__B_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 0.9854083061218262,
|
| 7 |
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"cdr": 0.7862455248832703,
|
| 8 |
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"framework": 0.9201657772064209,
|
| 9 |
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"cdr_fw_aligned": 1.4119832515716553
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 568,
|
| 12 |
+
"num_gt_atoms": 480,
|
| 13 |
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"num_aligned_atoms": 480,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.8450704225352113,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "D",
|
| 21 |
+
"total": 0.9854083061218262,
|
| 22 |
+
"cdr": 0.7862455248832703,
|
| 23 |
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"framework": 0.9201657772064209,
|
| 24 |
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"cdr_fw_aligned": 1.4119832515716553,
|
| 25 |
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"cdr1": 0.2843609154224396,
|
| 26 |
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"cdr2": 1.1563732624053955,
|
| 27 |
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"cdr3": 0.4218241572380066,
|
| 28 |
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"cdr1_fw_aligned": 0.8548579216003418,
|
| 29 |
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"cdr2_fw_aligned": 2.092303991317749,
|
| 30 |
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"cdr3_fw_aligned": 1.1733955144882202,
|
| 31 |
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"num_residues": 120,
|
| 32 |
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"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
+
"num_gt_atoms": 480,
|
| 37 |
+
"num_aligned_atoms": 480
|
| 38 |
+
}
|
| 39 |
+
}
|
8sgi_H_L_A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
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|
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|
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|
|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
|
|
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|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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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": "8sgi_H_L_A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.477616786956787,
|
| 7 |
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"cdr": 2.3012908697128296,
|
| 8 |
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"framework": 1.059287190437317,
|
| 9 |
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"cdr_fw_aligned": 2.7457536458969116
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 3272,
|
| 12 |
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"num_gt_atoms": 1757,
|
| 13 |
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"num_aligned_atoms": 1613,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.49297066014669927,
|
| 16 |
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"gt_coverage": 0.9180421172453045,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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"total": 1.4188649654388428,
|
| 22 |
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"cdr": 2.1770710945129395,
|
| 23 |
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"framework": 1.065983772277832,
|
| 24 |
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"cdr_fw_aligned": 2.7488622665405273,
|
| 25 |
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"cdr1": 0.7284595966339111,
|
| 26 |
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"cdr2": 0.5726671814918518,
|
| 27 |
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"cdr3": 2.661324977874756,
|
| 28 |
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"cdr1_fw_aligned": 1.5517076253890991,
|
| 29 |
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"cdr2_fw_aligned": 1.2848904132843018,
|
| 30 |
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"cdr3_fw_aligned": 3.6722497940063477,
|
| 31 |
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"num_residues": 121,
|
| 32 |
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"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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"total": 1.5363686084747314,
|
| 37 |
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| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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"cdr2_fw_aligned": 0.7811599969863892,
|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 743
|
| 58 |
+
}
|
| 59 |
+
}
|
8sgi_H_L_A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
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|
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|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8sgi_H_L_A_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
+
}
|
| 59 |
+
}
|
8sgi_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8sgi_H_L_A_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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| 24 |
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|
| 25 |
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| 26 |
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| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 440
|
| 58 |
+
}
|
| 59 |
+
}
|
8sgi_H_L_A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
|
|
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|
|
|
|
|
|
|
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|
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|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
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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": "8sgi_H_L_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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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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| 44 |
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|
| 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 |
+
}
|
8sgi_H_L_A_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
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|
|
|
|
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|
|
|
|
|
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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": "8sgi_H_L_A_sample_4",
|
| 3 |
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|
| 4 |
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|
| 5 |
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|
| 6 |
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|
| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 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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|
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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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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 743
|
| 58 |
+
}
|
| 59 |
+
}
|
8sgj_H_L_A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sgj_H_L_A_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"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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"cdr3": 0.8999535441398621,
|
| 43 |
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"cdr1_fw_aligned": 4.2856035232543945,
|
| 44 |
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"cdr2_fw_aligned": 0.9258387684822083,
|
| 45 |
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"cdr3_fw_aligned": 1.3995407819747925,
|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
+
}
|
| 59 |
+
}
|
8sgj_H_L_A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8sgj_H_L_A_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
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| 5 |
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|
| 6 |
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|
| 7 |
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| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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| 38 |
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| 39 |
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| 40 |
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|
| 41 |
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| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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}
|
| 59 |
+
}
|
8sit_H_L_A_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
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|
|
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|
|
|
|
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|
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|
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|
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|
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|
|
|
|
|
|
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|
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|
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|
|
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|
|
|
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|
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|
|
|
|
|
| 1 |
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{
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| 2 |
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"entry": "8sit_H_L_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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| 25 |
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| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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| 37 |
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| 38 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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}
|
| 59 |
+
}
|
8smk_B_C_A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8smk_B_C_A_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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| 24 |
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| 25 |
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| 26 |
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| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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|
| 36 |
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"total": 3.0031137466430664,
|
| 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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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 860,
|
| 56 |
+
"num_gt_atoms": 860,
|
| 57 |
+
"num_aligned_atoms": 860
|
| 58 |
+
}
|
| 59 |
+
}
|
8smm_H_L_A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
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|
| 1 |
+
{
|
| 2 |
+
"entry": "8smm_H_L_A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.5725236535072327,
|
| 7 |
+
"cdr": 2.5181479454040527,
|
| 8 |
+
"framework": 0.7699664235115051,
|
| 9 |
+
"cdr_fw_aligned": 3.127253532409668
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1796,
|
| 12 |
+
"num_gt_atoms": 920,
|
| 13 |
+
"num_aligned_atoms": 920,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.512249443207127,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.8065688610076904,
|
| 22 |
+
"cdr": 3.0790698528289795,
|
| 23 |
+
"framework": 0.6654515266418457,
|
| 24 |
+
"cdr_fw_aligned": 3.943246603012085,
|
| 25 |
+
"cdr1": 0.3246195614337921,
|
| 26 |
+
"cdr2": 0.8864271640777588,
|
| 27 |
+
"cdr3": 2.8442771434783936,
|
| 28 |
+
"cdr1_fw_aligned": 0.7597782611846924,
|
| 29 |
+
"cdr2_fw_aligned": 1.82262122631073,
|
| 30 |
+
"cdr3_fw_aligned": 5.317465305328369,
|
| 31 |
+
"num_residues": 124,
|
| 32 |
+
"num_cdr_residues": 27
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 1.338478446006775,
|
| 37 |
+
"cdr": 1.957226037979126,
|
| 38 |
+
"framework": 0.8744813203811646,
|
| 39 |
+
"cdr_fw_aligned": 2.311260461807251,
|
| 40 |
+
"cdr1": 2.225174903869629,
|
| 41 |
+
"cdr2": 0.2813255488872528,
|
| 42 |
+
"cdr3": 1.753854751586914,
|
| 43 |
+
"cdr1_fw_aligned": 2.8915841579437256,
|
| 44 |
+
"cdr2_fw_aligned": 0.42899879813194275,
|
| 45 |
+
"cdr3_fw_aligned": 2.379786491394043,
|
| 46 |
+
"num_residues": 106,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 936,
|
| 51 |
+
"num_gt_atoms": 496,
|
| 52 |
+
"num_aligned_atoms": 496
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 860,
|
| 56 |
+
"num_gt_atoms": 424,
|
| 57 |
+
"num_aligned_atoms": 424
|
| 58 |
+
}
|
| 59 |
+
}
|
8smn_H_L_A_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
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|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8smn_H_L_A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.758766531944275,
|
| 7 |
+
"cdr": 2.9090936183929443,
|
| 8 |
+
"framework": 1.1382409632205963,
|
| 9 |
+
"cdr_fw_aligned": 3.52705979347229
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 3297,
|
| 12 |
+
"num_gt_atoms": 1732,
|
| 13 |
+
"num_aligned_atoms": 1619,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.4910524719441917,
|
| 16 |
+
"gt_coverage": 0.934757505773672,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.8739205598831177,
|
| 22 |
+
"cdr": 3.580073833465576,
|
| 23 |
+
"framework": 0.9246992468833923,
|
| 24 |
+
"cdr_fw_aligned": 4.408807277679443,
|
| 25 |
+
"cdr1": 0.5591973066329956,
|
| 26 |
+
"cdr2": 0.8608234524726868,
|
| 27 |
+
"cdr3": 3.8374695777893066,
|
| 28 |
+
"cdr1_fw_aligned": 0.8059863448143005,
|
| 29 |
+
"cdr2_fw_aligned": 1.4617249965667725,
|
| 30 |
+
"cdr3_fw_aligned": 5.949443817138672,
|
| 31 |
+
"num_residues": 124,
|
| 32 |
+
"num_cdr_residues": 27
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 1.6436125040054321,
|
| 37 |
+
"cdr": 2.2381134033203125,
|
| 38 |
+
"framework": 1.3517826795578003,
|
| 39 |
+
"cdr_fw_aligned": 2.6453123092651367,
|
| 40 |
+
"cdr1": 2.5816502571105957,
|
| 41 |
+
"cdr2": 0.3406783640384674,
|
| 42 |
+
"cdr3": 1.9663894176483154,
|
| 43 |
+
"cdr1_fw_aligned": 3.319979190826416,
|
| 44 |
+
"cdr2_fw_aligned": 0.5265040993690491,
|
| 45 |
+
"cdr3_fw_aligned": 2.720089912414551,
|
| 46 |
+
"num_residues": 106,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 1690,
|
| 51 |
+
"num_gt_atoms": 937,
|
| 52 |
+
"num_aligned_atoms": 869
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 1607,
|
| 56 |
+
"num_gt_atoms": 795,
|
| 57 |
+
"num_aligned_atoms": 750
|
| 58 |
+
}
|
| 59 |
+
}
|
8smn_H_L_A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
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|
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|
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|
|
|
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|
|
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|
|
|
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|
|
|
|
|
|
|
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|
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|
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|
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|
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|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8smn_H_L_A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.6272739171981812,
|
| 7 |
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"cdr": 2.666950225830078,
|
| 8 |
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"framework": 0.6845275163650513,
|
| 9 |
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|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1796,
|
| 12 |
+
"num_gt_atoms": 920,
|
| 13 |
+
"num_aligned_atoms": 920,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.512249443207127,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.8642677068710327,
|
| 22 |
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"cdr": 3.32279896736145,
|
| 23 |
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"framework": 0.5620256662368774,
|
| 24 |
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"cdr_fw_aligned": 4.1609883308410645,
|
| 25 |
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"cdr1": 0.4518543779850006,
|
| 26 |
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"cdr2": 0.8388178944587708,
|
| 27 |
+
"cdr3": 3.3113207817077637,
|
| 28 |
+
"cdr1_fw_aligned": 0.7324857115745544,
|
| 29 |
+
"cdr2_fw_aligned": 1.503811001777649,
|
| 30 |
+
"cdr3_fw_aligned": 5.670403957366943,
|
| 31 |
+
"num_residues": 124,
|
| 32 |
+
"num_cdr_residues": 27
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 1.3902801275253296,
|
| 37 |
+
"cdr": 2.011101484298706,
|
| 38 |
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"framework": 0.8070293664932251,
|
| 39 |
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"cdr_fw_aligned": 2.5691592693328857,
|
| 40 |
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"cdr1": 2.2768776416778564,
|
| 41 |
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|
| 42 |
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"cdr3": 1.7066270112991333,
|
| 43 |
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"cdr1_fw_aligned": 3.1983582973480225,
|
| 44 |
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"cdr2_fw_aligned": 0.5506664514541626,
|
| 45 |
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"cdr3_fw_aligned": 2.6576669216156006,
|
| 46 |
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"num_residues": 106,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 936,
|
| 51 |
+
"num_gt_atoms": 496,
|
| 52 |
+
"num_aligned_atoms": 496
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 860,
|
| 56 |
+
"num_gt_atoms": 424,
|
| 57 |
+
"num_aligned_atoms": 424
|
| 58 |
+
}
|
| 59 |
+
}
|