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- 7vgs_D_C_A_sample_1_rmsd_backbone.json +59 -0
- 7vgs_D_C_A_sample_4_rmsd_backbone.json +59 -0
- 7xic_K_L_B_sample_0_rmsd_backbone.json +59 -0
- 8e1m_H_L_C_sample_1_rmsd.json +59 -0
- 8e1m_H_L_C_sample_2_rmsd.json +59 -0
- 8e1m_H_L_C_sample_3_rmsd.json +59 -0
- 8e1m_H_L_C_sample_3_rmsd_backbone.json +59 -0
- 8e1m_H_L_C_sample_4_rmsd_backbone.json +59 -0
- 8euq_C_D_AB_sample_0_rmsd_backbone.json +59 -0
- 8euq_C_D_AB_sample_2_rmsd_backbone.json +59 -0
- 8q7o_A__C_sample_0_rmsd_backbone.json +39 -0
- 8q7s_F__D_sample_1_rmsd_backbone.json +39 -0
- 8q94_C__A_sample_0_rmsd.json +39 -0
- 8q94_C__A_sample_0_rmsd_backbone.json +39 -0
- 8q94_C__A_sample_1_rmsd.json +39 -0
- 8q94_C__A_sample_2_rmsd.json +39 -0
- 8q94_C__A_sample_3_rmsd.json +39 -0
- 8q94_C__A_sample_4_rmsd.json +39 -0
- 8qf5_G__H_sample_3_rmsd_backbone.json +39 -0
- 8qf5_G__H_sample_4_rmsd_backbone.json +39 -0
- 8qot_B__A_sample_0_rmsd_backbone.json +39 -0
- 8qq0_E_D_A_sample_3_rmsd_backbone.json +59 -0
- 8qz1_C__B_sample_0_rmsd.json +39 -0
- 8qz1_C__B_sample_1_rmsd.json +39 -0
- 8qz1_C__B_sample_2_rmsd_backbone.json +39 -0
- 8qz1_C__B_sample_4_rmsd.json +39 -0
- 8qz3_C__B_sample_1_rmsd_backbone.json +39 -0
- 8qz6_B__A_sample_0_rmsd_backbone.json +39 -0
- 8qz6_B__A_sample_2_rmsd_backbone.json +39 -0
- 8qz7_B__A_sample_0_rmsd.json +39 -0
- 8qz7_B__A_sample_0_rmsd_backbone.json +39 -0
- 8qz7_B__A_sample_1_rmsd.json +39 -0
- 8qz7_B__A_sample_2_rmsd.json +39 -0
- 8qz7_B__A_sample_3_rmsd.json +39 -0
- 8r1c_H_L_A_sample_3_rmsd_backbone.json +59 -0
- 8r1c_H_L_A_sample_4_rmsd_backbone.json +59 -0
- 8r40_A_a_C_sample_2_rmsd.json +59 -0
- 8r40_A_a_C_sample_3_rmsd_backbone.json +59 -0
- 8r4b_B__A_sample_1_rmsd_backbone.json +39 -0
- 8r4d_B__A_sample_0_rmsd.json +39 -0
- 8r4d_B__A_sample_1_rmsd.json +39 -0
- 8r4d_B__A_sample_2_rmsd.json +39 -0
- 8r4d_B__A_sample_2_rmsd_backbone.json +39 -0
- 8r4d_B__A_sample_3_rmsd.json +39 -0
- 8r80_H_L_R_sample_0_rmsd.json +59 -0
- 8r80_H_L_R_sample_0_rmsd_backbone.json +59 -0
- 8r80_H_L_R_sample_1_rmsd.json +59 -0
- 8r80_H_L_R_sample_4_rmsd.json +59 -0
- 8r8k_H_L_A_sample_0_rmsd_backbone.json +59 -0
- 8r9y_B_C_A_sample_0_rmsd.json +59 -0
7vgs_D_C_A_sample_1_rmsd_backbone.json
ADDED
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{
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"entry": "7vgs_D_C_A_sample_1",
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"success": true,
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"error": null,
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"rmsd": {
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"alignment_coverage": {
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"pred_coverage": 0.9642058165548099,
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"gt_coverage": 1.0,
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"full_coverage": false
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"heavy_chain": {
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"chain_id": "D",
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"total": 0.9925947785377502,
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"cdr": 0.96591717004776,
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"framework": 0.9563013911247253,
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"cdr3": 0.5133642554283142,
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"cdr1_fw_aligned": 1.323359727859497,
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"cdr2_fw_aligned": 1.7104190587997437,
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"cdr3_fw_aligned": 0.7193748354911804,
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"num_residues": 213,
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"num_cdr_residues": 17
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},
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"light_chain": {
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| 35 |
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"chain_id": "C",
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"total": 1.058197021484375,
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"cdr": 1.2678142786026,
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"framework": 0.9286468625068665,
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"cdr_fw_aligned": 1.7410542964935303,
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"cdr1": 1.3471150398254395,
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"cdr2": 0.9213513731956482,
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"cdr3": 1.0509377717971802,
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"cdr1_fw_aligned": 2.08793044090271,
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"cdr2_fw_aligned": 1.5268058776855469,
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"cdr3_fw_aligned": 1.1671173572540283,
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"num_residues": 218,
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"num_cdr_residues": 31
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| 48 |
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"heavy_chain_atom_counts": {
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| 50 |
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"num_pred_atoms": 916,
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"num_gt_atoms": 852,
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| 52 |
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"num_aligned_atoms": 852
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"light_chain_atom_counts": {
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"num_pred_atoms": 872,
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"num_aligned_atoms": 872
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}
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}
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7vgs_D_C_A_sample_4_rmsd_backbone.json
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{
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"entry": "7vgs_D_C_A_sample_4",
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"success": true,
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"error": null,
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"rmsd": {
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| 7 |
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"num_pred_atoms": 1788,
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| 12 |
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| 13 |
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"num_aligned_atoms": 1724,
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| 14 |
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"alignment_coverage": {
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| 15 |
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"pred_coverage": 0.9642058165548099,
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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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| 19 |
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"heavy_chain": {
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| 20 |
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"chain_id": "D",
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| 21 |
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"cdr": 1.007736325263977,
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"cdr1": 0.9017370939254761,
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"cdr2": 0.7371199131011963,
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"cdr3": 0.3424563705921173,
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"cdr1_fw_aligned": 2.0844178199768066,
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"cdr2_fw_aligned": 1.4338933229446411,
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"cdr3_fw_aligned": 0.8993511199951172,
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"num_residues": 213,
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"num_cdr_residues": 17
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| 33 |
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"light_chain": {
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"chain_id": "C",
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| 58 |
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}
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| 59 |
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}
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7xic_K_L_B_sample_0_rmsd_backbone.json
ADDED
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{
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"entry": "7xic_K_L_B_sample_0",
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"success": true,
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"error": null,
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"rmsd": {
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| 13 |
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| 14 |
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"alignment_coverage": {
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| 17 |
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| 18 |
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| 19 |
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"heavy_chain": {
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| 20 |
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| 21 |
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| 33 |
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| 58 |
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}
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| 59 |
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}
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8e1m_H_L_C_sample_1_rmsd.json
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{
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"entry": "8e1m_H_L_C_sample_1",
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"success": true,
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| 4 |
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"error": null,
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| 5 |
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"rmsd": {
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| 6 |
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"total": 1.062645971775055,
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| 7 |
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| 8 |
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"cdr_fw_aligned": 1.299041509628296
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| 10 |
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},
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| 11 |
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"num_pred_atoms": 3573,
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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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|
8e1m_H_L_C_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
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|
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|
|
|
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|
|
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|
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|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
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|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8e1m_H_L_C_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 |
+
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|
8e1m_H_L_C_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
|
|
|
|
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|
|
|
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|
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|
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|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8e1m_H_L_C_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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| 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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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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}
|
| 59 |
+
}
|
8e1m_H_L_C_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
|
|
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|
|
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|
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|
|
|
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|
|
|
|
|
|
|
|
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|
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|
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|
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|
|
|
|
|
|
|
|
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|
|
|
|
|
|
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|
|
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|
|
|
|
|
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|
|
|
|
|
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|
|
| 1 |
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{
|
| 2 |
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"entry": "8e1m_H_L_C_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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| 10 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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| 16 |
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| 17 |
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|
| 18 |
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|
| 19 |
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| 20 |
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| 21 |
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| 22 |
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|
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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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| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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| 54 |
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| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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}
|
| 59 |
+
}
|
8e1m_H_L_C_sample_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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|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8e1m_H_L_C_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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"total": 0.7011730074882507,
|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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"cdr2": 0.29938989877700806,
|
| 27 |
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"cdr3": 0.4991131126880646,
|
| 28 |
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"cdr1_fw_aligned": 0.6171191334724426,
|
| 29 |
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"cdr2_fw_aligned": 1.2954710721969604,
|
| 30 |
+
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 21
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
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"total": 0.46650126576423645,
|
| 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": 0.23898860812187195,
|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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"num_gt_atoms": 468,
|
| 52 |
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"num_aligned_atoms": 468
|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 444,
|
| 57 |
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"num_aligned_atoms": 444
|
| 58 |
+
}
|
| 59 |
+
}
|
8euq_C_D_AB_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8euq_C_D_AB_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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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9931350114416476,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "C",
|
| 21 |
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"total": 2.6579389572143555,
|
| 22 |
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|
| 23 |
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"framework": 2.579543352127075,
|
| 24 |
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|
| 25 |
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|
| 26 |
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"cdr2": 0.1753816157579422,
|
| 27 |
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"cdr3": 1.620702862739563,
|
| 28 |
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"cdr1_fw_aligned": 4.437383651733398,
|
| 29 |
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"cdr2_fw_aligned": 3.883981227874756,
|
| 30 |
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"cdr3_fw_aligned": 2.6777844429016113,
|
| 31 |
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"num_residues": 222,
|
| 32 |
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"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "D",
|
| 36 |
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"total": 1.9354867935180664,
|
| 37 |
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"cdr": 0.533430278301239,
|
| 38 |
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"framework": 1.7728813886642456,
|
| 39 |
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"cdr_fw_aligned": 3.3955249786376953,
|
| 40 |
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"cdr1": 0.28941407799720764,
|
| 41 |
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"cdr2": 0.5117976665496826,
|
| 42 |
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"cdr3": 0.3244379162788391,
|
| 43 |
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"cdr1_fw_aligned": 3.7443225383758545,
|
| 44 |
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"cdr2_fw_aligned": 2.7401106357574463,
|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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},
|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 848
|
| 58 |
+
}
|
| 59 |
+
}
|
8euq_C_D_AB_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8euq_C_D_AB_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.1146399676799774,
|
| 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 |
+
"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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"num_residues": 222,
|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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},
|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 848
|
| 58 |
+
}
|
| 59 |
+
}
|
8q7o_A__C_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
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|
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|
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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": "8q7o_A__C_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 496,
|
| 12 |
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"num_gt_atoms": 480,
|
| 13 |
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|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "A",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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"num_aligned_atoms": 480
|
| 38 |
+
}
|
| 39 |
+
}
|
8q7s_F__D_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8q7s_F__D_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.3834830522537231,
|
| 7 |
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"cdr": 2.164261817932129,
|
| 8 |
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|
| 9 |
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"cdr_fw_aligned": 2.7839338779449463
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 524,
|
| 12 |
+
"num_gt_atoms": 512,
|
| 13 |
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"num_aligned_atoms": 512,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9770992366412213,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "F",
|
| 21 |
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"total": 1.3834830522537231,
|
| 22 |
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"cdr": 2.164261817932129,
|
| 23 |
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"framework": 0.5825302004814148,
|
| 24 |
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"cdr_fw_aligned": 2.7839338779449463,
|
| 25 |
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"cdr1": 2.220881462097168,
|
| 26 |
+
"cdr2": 0.25578203797340393,
|
| 27 |
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"cdr3": 1.5671201944351196,
|
| 28 |
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"cdr1_fw_aligned": 4.564236164093018,
|
| 29 |
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"cdr2_fw_aligned": 0.8449394702911377,
|
| 30 |
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"cdr3_fw_aligned": 2.2699403762817383,
|
| 31 |
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"num_residues": 128,
|
| 32 |
+
"num_cdr_residues": 32
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 524,
|
| 36 |
+
"num_gt_atoms": 512,
|
| 37 |
+
"num_aligned_atoms": 512
|
| 38 |
+
}
|
| 39 |
+
}
|
8q94_C__A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8q94_C__A_sample_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": 2.3080005645751953,
|
| 7 |
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|
| 8 |
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|
| 9 |
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"cdr_fw_aligned": 3.8742311000823975
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 948,
|
| 12 |
+
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|
| 13 |
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|
| 14 |
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|
| 15 |
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"pred_coverage": 0.9546413502109705,
|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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"chain_id": "C",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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"cdr_fw_aligned": 3.8742311000823975,
|
| 25 |
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"cdr1": 3.226635456085205,
|
| 26 |
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"cdr2": 1.172943115234375,
|
| 27 |
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"cdr3": 3.644814968109131,
|
| 28 |
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"cdr1_fw_aligned": 4.996982574462891,
|
| 29 |
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"cdr2_fw_aligned": 1.8711318969726562,
|
| 30 |
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"cdr3_fw_aligned": 3.9333293437957764,
|
| 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": 948,
|
| 36 |
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"num_gt_atoms": 958,
|
| 37 |
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"num_aligned_atoms": 905
|
| 38 |
+
}
|
| 39 |
+
}
|
8q94_C__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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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8q94_C__A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
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|
| 7 |
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"cdr": 3.2501959800720215,
|
| 8 |
+
"framework": 0.8214458227157593,
|
| 9 |
+
"cdr_fw_aligned": 3.594029188156128
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 528,
|
| 12 |
+
"num_gt_atoms": 508,
|
| 13 |
+
"num_aligned_atoms": 508,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9621212121212122,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
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"total": 1.8920687437057495,
|
| 22 |
+
"cdr": 3.2501959800720215,
|
| 23 |
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"framework": 0.8214458227157593,
|
| 24 |
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"cdr_fw_aligned": 3.594029188156128,
|
| 25 |
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"cdr1": 1.8059483766555786,
|
| 26 |
+
"cdr2": 0.3765871226787567,
|
| 27 |
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"cdr3": 3.687230110168457,
|
| 28 |
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"cdr1_fw_aligned": 3.4631309509277344,
|
| 29 |
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"cdr2_fw_aligned": 0.97325599193573,
|
| 30 |
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"cdr3_fw_aligned": 4.127628326416016,
|
| 31 |
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"num_residues": 127,
|
| 32 |
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"num_cdr_residues": 32
|
| 33 |
+
},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 528,
|
| 36 |
+
"num_gt_atoms": 508,
|
| 37 |
+
"num_aligned_atoms": 508
|
| 38 |
+
}
|
| 39 |
+
}
|
8q94_C__A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
|
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|
|
|
|
|
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|
|
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|
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|
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|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8q94_C__A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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"framework": 1.7012523412704468,
|
| 9 |
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"cdr_fw_aligned": 3.5981345176696777
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 948,
|
| 12 |
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"num_gt_atoms": 958,
|
| 13 |
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"num_aligned_atoms": 905,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9546413502109705,
|
| 16 |
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"gt_coverage": 0.9446764091858038,
|
| 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": 2.2411930561065674,
|
| 22 |
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"cdr": 3.231170654296875,
|
| 23 |
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"framework": 1.7012523412704468,
|
| 24 |
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"cdr_fw_aligned": 3.5981345176696777,
|
| 25 |
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"cdr1": 3.1759116649627686,
|
| 26 |
+
"cdr2": 1.3181606531143188,
|
| 27 |
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"cdr3": 3.1162965297698975,
|
| 28 |
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"cdr1_fw_aligned": 5.0910139083862305,
|
| 29 |
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"cdr2_fw_aligned": 1.9794862270355225,
|
| 30 |
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"cdr3_fw_aligned": 3.382437229156494,
|
| 31 |
+
"num_residues": 127,
|
| 32 |
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"num_cdr_residues": 32
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 948,
|
| 36 |
+
"num_gt_atoms": 958,
|
| 37 |
+
"num_aligned_atoms": 905
|
| 38 |
+
}
|
| 39 |
+
}
|
8q94_C__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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8q94_C__A_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.9349901676177979,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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"num_aligned_atoms": 905,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9546413502109705,
|
| 16 |
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"gt_coverage": 0.9446764091858038,
|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "C",
|
| 21 |
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"total": 1.9349901676177979,
|
| 22 |
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|
| 23 |
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"framework": 1.6484285593032837,
|
| 24 |
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"cdr_fw_aligned": 2.8281209468841553,
|
| 25 |
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"cdr1": 3.0255303382873535,
|
| 26 |
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|
| 27 |
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"cdr3": 1.4481667280197144,
|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 32
|
| 33 |
+
},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
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"num_gt_atoms": 958,
|
| 37 |
+
"num_aligned_atoms": 905
|
| 38 |
+
}
|
| 39 |
+
}
|
8q94_C__A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 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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"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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"num_aligned_atoms": 905
|
| 38 |
+
}
|
| 39 |
+
}
|
8q94_C__A_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
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|
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|
|
|
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|
|
|
|
|
|
|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8q94_C__A_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"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 |
+
}
|
| 39 |
+
}
|
8qf5_G__H_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 |
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"entry": "8qf5_G__H_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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"num_gt_atoms": 480,
|
| 13 |
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"num_aligned_atoms": 480,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 1.0,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "G",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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"cdr_fw_aligned": 5.596581935882568,
|
| 25 |
+
"cdr1": 1.5229443311691284,
|
| 26 |
+
"cdr2": 0.143162339925766,
|
| 27 |
+
"cdr3": 3.2046077251434326,
|
| 28 |
+
"cdr1_fw_aligned": 2.98469877243042,
|
| 29 |
+
"cdr2_fw_aligned": 0.857529878616333,
|
| 30 |
+
"cdr3_fw_aligned": 7.893303394317627,
|
| 31 |
+
"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_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qf5_G__H_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 2.919011116027832,
|
| 7 |
+
"cdr": 3.7855002880096436,
|
| 8 |
+
"framework": 1.718881607055664,
|
| 9 |
+
"cdr_fw_aligned": 6.5186686515808105
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 480,
|
| 12 |
+
"num_gt_atoms": 480,
|
| 13 |
+
"num_aligned_atoms": 480,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 1.0,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "G",
|
| 21 |
+
"total": 2.919011116027832,
|
| 22 |
+
"cdr": 3.7855002880096436,
|
| 23 |
+
"framework": 1.718881607055664,
|
| 24 |
+
"cdr_fw_aligned": 6.5186686515808105,
|
| 25 |
+
"cdr1": 1.7084051370620728,
|
| 26 |
+
"cdr2": 0.11921263486146927,
|
| 27 |
+
"cdr3": 3.0581774711608887,
|
| 28 |
+
"cdr1_fw_aligned": 3.205298900604248,
|
| 29 |
+
"cdr2_fw_aligned": 0.4731602072715759,
|
| 30 |
+
"cdr3_fw_aligned": 9.28337287902832,
|
| 31 |
+
"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 |
+
}
|
8qot_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qot_B__A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.4720262289047241,
|
| 7 |
+
"cdr": 2.052839517593384,
|
| 8 |
+
"framework": 0.8337283134460449,
|
| 9 |
+
"cdr_fw_aligned": 3.249150037765503
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 684,
|
| 12 |
+
"num_gt_atoms": 500,
|
| 13 |
+
"num_aligned_atoms": 500,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.7309941520467836,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
+
"total": 1.4720262289047241,
|
| 22 |
+
"cdr": 2.052839517593384,
|
| 23 |
+
"framework": 0.8337283134460449,
|
| 24 |
+
"cdr_fw_aligned": 3.249150037765503,
|
| 25 |
+
"cdr1": 2.0569469928741455,
|
| 26 |
+
"cdr2": 0.20241327583789825,
|
| 27 |
+
"cdr3": 1.207198977470398,
|
| 28 |
+
"cdr1_fw_aligned": 2.3480591773986816,
|
| 29 |
+
"cdr2_fw_aligned": 1.0484524965286255,
|
| 30 |
+
"cdr3_fw_aligned": 4.007890224456787,
|
| 31 |
+
"num_residues": 125,
|
| 32 |
+
"num_cdr_residues": 27
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 684,
|
| 36 |
+
"num_gt_atoms": 500,
|
| 37 |
+
"num_aligned_atoms": 500
|
| 38 |
+
}
|
| 39 |
+
}
|
8qq0_E_D_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qq0_E_D_A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.8517856001853943,
|
| 7 |
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"cdr": 2.85282039642334,
|
| 8 |
+
"framework": 1.0637262761592865,
|
| 9 |
+
"cdr_fw_aligned": 3.35861873626709
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1780,
|
| 12 |
+
"num_gt_atoms": 924,
|
| 13 |
+
"num_aligned_atoms": 924,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.5191011235955056,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "E",
|
| 21 |
+
"total": 1.5248268842697144,
|
| 22 |
+
"cdr": 2.560056686401367,
|
| 23 |
+
"framework": 0.9347171187400818,
|
| 24 |
+
"cdr_fw_aligned": 2.898561477661133,
|
| 25 |
+
"cdr1": 0.6124433875083923,
|
| 26 |
+
"cdr2": 0.40434348583221436,
|
| 27 |
+
"cdr3": 2.3397438526153564,
|
| 28 |
+
"cdr1_fw_aligned": 1.2991434335708618,
|
| 29 |
+
"cdr2_fw_aligned": 0.7628423571586609,
|
| 30 |
+
"cdr3_fw_aligned": 3.952962875366211,
|
| 31 |
+
"num_residues": 120,
|
| 32 |
+
"num_cdr_residues": 26
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "D",
|
| 36 |
+
"total": 2.178744316101074,
|
| 37 |
+
"cdr": 3.1455841064453125,
|
| 38 |
+
"framework": 1.1927354335784912,
|
| 39 |
+
"cdr_fw_aligned": 3.818675994873047,
|
| 40 |
+
"cdr1": 4.113969326019287,
|
| 41 |
+
"cdr2": 0.4405492842197418,
|
| 42 |
+
"cdr3": 0.8891303539276123,
|
| 43 |
+
"cdr1_fw_aligned": 4.759922981262207,
|
| 44 |
+
"cdr2_fw_aligned": 1.510042428970337,
|
| 45 |
+
"cdr3_fw_aligned": 3.4480886459350586,
|
| 46 |
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"num_residues": 111,
|
| 47 |
+
"num_cdr_residues": 31
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 916,
|
| 51 |
+
"num_gt_atoms": 480,
|
| 52 |
+
"num_aligned_atoms": 480
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 864,
|
| 56 |
+
"num_gt_atoms": 444,
|
| 57 |
+
"num_aligned_atoms": 444
|
| 58 |
+
}
|
| 59 |
+
}
|
8qz1_C__B_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz1_C__B_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.9277756214141846,
|
| 7 |
+
"cdr": 2.1553962230682373,
|
| 8 |
+
"framework": 1.7391932010650635,
|
| 9 |
+
"cdr_fw_aligned": 2.7541146278381348
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1001,
|
| 12 |
+
"num_gt_atoms": 935,
|
| 13 |
+
"num_aligned_atoms": 890,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.8891108891108891,
|
| 16 |
+
"gt_coverage": 0.9518716577540107,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
+
"total": 1.9277756214141846,
|
| 22 |
+
"cdr": 2.1553962230682373,
|
| 23 |
+
"framework": 1.7391932010650635,
|
| 24 |
+
"cdr_fw_aligned": 2.7541146278381348,
|
| 25 |
+
"cdr1": 2.4193854331970215,
|
| 26 |
+
"cdr2": 1.8520885705947876,
|
| 27 |
+
"cdr3": 1.0174355506896973,
|
| 28 |
+
"cdr1_fw_aligned": 3.8882813453674316,
|
| 29 |
+
"cdr2_fw_aligned": 3.904916524887085,
|
| 30 |
+
"cdr3_fw_aligned": 1.3784922361373901,
|
| 31 |
+
"num_residues": 129,
|
| 32 |
+
"num_cdr_residues": 30
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 1001,
|
| 36 |
+
"num_gt_atoms": 935,
|
| 37 |
+
"num_aligned_atoms": 890
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz1_C__B_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
|
|
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|
|
|
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|
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|
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|
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|
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|
|
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|
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|
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|
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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": 1.800885796546936,
|
| 7 |
+
"cdr": 2.0296223163604736,
|
| 8 |
+
"framework": 1.6155693531036377,
|
| 9 |
+
"cdr_fw_aligned": 2.6525537967681885
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1001,
|
| 12 |
+
"num_gt_atoms": 935,
|
| 13 |
+
"num_aligned_atoms": 890,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.8891108891108891,
|
| 16 |
+
"gt_coverage": 0.9518716577540107,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
+
"total": 1.800885796546936,
|
| 22 |
+
"cdr": 2.0296223163604736,
|
| 23 |
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"framework": 1.6155693531036377,
|
| 24 |
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"cdr_fw_aligned": 2.6525537967681885,
|
| 25 |
+
"cdr1": 2.5316030979156494,
|
| 26 |
+
"cdr2": 1.659557580947876,
|
| 27 |
+
"cdr3": 0.8226107358932495,
|
| 28 |
+
"cdr1_fw_aligned": 3.8457343578338623,
|
| 29 |
+
"cdr2_fw_aligned": 3.3591790199279785,
|
| 30 |
+
"cdr3_fw_aligned": 1.6407880783081055,
|
| 31 |
+
"num_residues": 129,
|
| 32 |
+
"num_cdr_residues": 30
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 1001,
|
| 36 |
+
"num_gt_atoms": 935,
|
| 37 |
+
"num_aligned_atoms": 890
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz1_C__B_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
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|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz1_C__B_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.6674710512161255,
|
| 7 |
+
"cdr": 1.9401311874389648,
|
| 8 |
+
"framework": 1.4405057430267334,
|
| 9 |
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| 10 |
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|
| 11 |
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|
| 12 |
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"num_gt_atoms": 516,
|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "C",
|
| 21 |
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| 22 |
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|
| 23 |
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|
| 24 |
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"cdr_fw_aligned": 2.4499058723449707,
|
| 25 |
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"cdr1": 2.4744815826416016,
|
| 26 |
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"cdr2": 0.2660335898399353,
|
| 27 |
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"cdr3": 1.045871376991272,
|
| 28 |
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"cdr1_fw_aligned": 3.999687910079956,
|
| 29 |
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"cdr2_fw_aligned": 1.882008671760559,
|
| 30 |
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"cdr3_fw_aligned": 1.6596648693084717,
|
| 31 |
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"num_residues": 129,
|
| 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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"num_pred_atoms": 544,
|
| 36 |
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"num_gt_atoms": 516,
|
| 37 |
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"num_aligned_atoms": 516
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz1_C__B_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz1_C__B_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.530595541000366,
|
| 7 |
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"cdr": 2.400463104248047,
|
| 8 |
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"framework": 2.2978317737579346,
|
| 9 |
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"cdr_fw_aligned": 3.8154447078704834
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 1001,
|
| 12 |
+
"num_gt_atoms": 935,
|
| 13 |
+
"num_aligned_atoms": 890,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.8891108891108891,
|
| 16 |
+
"gt_coverage": 0.9518716577540107,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "C",
|
| 21 |
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"total": 2.530595541000366,
|
| 22 |
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"cdr": 2.400463104248047,
|
| 23 |
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"framework": 2.2978317737579346,
|
| 24 |
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"cdr_fw_aligned": 3.8154447078704834,
|
| 25 |
+
"cdr1": 2.4652371406555176,
|
| 26 |
+
"cdr2": 2.0598299503326416,
|
| 27 |
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"cdr3": 1.10387122631073,
|
| 28 |
+
"cdr1_fw_aligned": 5.638570785522461,
|
| 29 |
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"cdr2_fw_aligned": 4.687596797943115,
|
| 30 |
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"cdr3_fw_aligned": 2.396043300628662,
|
| 31 |
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"num_residues": 129,
|
| 32 |
+
"num_cdr_residues": 30
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 1001,
|
| 36 |
+
"num_gt_atoms": 935,
|
| 37 |
+
"num_aligned_atoms": 890
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz3_C__B_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
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|
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|
|
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|
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|
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|
|
|
|
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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_1",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 548,
|
| 12 |
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"num_gt_atoms": 508,
|
| 13 |
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"num_aligned_atoms": 508,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.927007299270073,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "C",
|
| 21 |
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"total": 0.7384514808654785,
|
| 22 |
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"cdr": 1.114293098449707,
|
| 23 |
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"framework": 0.5108031630516052,
|
| 24 |
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"cdr_fw_aligned": 1.234574556350708,
|
| 25 |
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"cdr1": 1.1303410530090332,
|
| 26 |
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"cdr2": 0.2495700716972351,
|
| 27 |
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"cdr3": 0.8651112914085388,
|
| 28 |
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"cdr1_fw_aligned": 1.694311499595642,
|
| 29 |
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"cdr2_fw_aligned": 0.7307735085487366,
|
| 30 |
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"cdr3_fw_aligned": 1.1535073518753052,
|
| 31 |
+
"num_residues": 127,
|
| 32 |
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"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_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz6_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": 1.2950314283370972,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 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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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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"cdr1": 0.4132724702358246,
|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 30
|
| 33 |
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},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
+
"num_gt_atoms": 496,
|
| 37 |
+
"num_aligned_atoms": 496
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz6_B__A_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz6_B__A_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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"cdr1": 0.49317607283592224,
|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
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|
| 37 |
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"num_aligned_atoms": 496
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz7_B__A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz7_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": 1.524749994277954,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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"chain_id": "B",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
+
}
|
| 39 |
+
}
|
8qz7_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8qz7_B__A_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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"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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"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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|
| 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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"cdr_fw_aligned": 2.5734779834747314,
|
| 25 |
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|
| 26 |
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|
| 27 |
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"cdr3": 1.958130955696106,
|
| 28 |
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"cdr1_fw_aligned": 0.8638043999671936,
|
| 29 |
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"cdr2_fw_aligned": 0.4432615637779236,
|
| 30 |
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"cdr3_fw_aligned": 3.3631339073181152,
|
| 31 |
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"num_residues": 124,
|
| 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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"num_gt_atoms": 496,
|
| 37 |
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"num_aligned_atoms": 496
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz7_B__A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
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|
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|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz7_B__A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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"framework": 1.0895518064498901,
|
| 9 |
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"cdr_fw_aligned": 2.282641887664795
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 1016,
|
| 12 |
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"num_gt_atoms": 911,
|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.8464566929133859,
|
| 16 |
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"gt_coverage": 0.9440175631174533,
|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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|
| 22 |
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|
| 23 |
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"framework": 1.0895518064498901,
|
| 24 |
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|
| 25 |
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|
| 26 |
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"cdr2": 0.5246773362159729,
|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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|
| 35 |
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|
| 36 |
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"num_gt_atoms": 911,
|
| 37 |
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"num_aligned_atoms": 860
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz7_B__A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz7_B__A_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.5000728368759155,
|
| 7 |
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|
| 8 |
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"framework": 1.0688341856002808,
|
| 9 |
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"cdr_fw_aligned": 2.6473093032836914
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 1016,
|
| 12 |
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"num_gt_atoms": 911,
|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.8464566929133859,
|
| 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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"total": 1.5000728368759155,
|
| 22 |
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"cdr": 2.2167584896087646,
|
| 23 |
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"framework": 1.0688341856002808,
|
| 24 |
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|
| 25 |
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"cdr1": 1.4540960788726807,
|
| 26 |
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"cdr2": 0.2942986488342285,
|
| 27 |
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|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 0.49200642108917236,
|
| 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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"num_gt_atoms": 911,
|
| 37 |
+
"num_aligned_atoms": 860
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz7_B__A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz7_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": 1.4491453170776367,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
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"num_gt_atoms": 911,
|
| 37 |
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"num_aligned_atoms": 860
|
| 38 |
+
}
|
| 39 |
+
}
|
8r1c_H_L_A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
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|
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|
|
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|
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|
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|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
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|
|
|
|
|
|
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|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
| 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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"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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}
|
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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|
|
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|
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|
|
|
|
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|
|
|
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|
|
|
|
|
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|
|
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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": "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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"total": 1.0765556991100311,
|
| 7 |
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|
| 8 |
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|
| 9 |
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"cdr_fw_aligned": 1.9827176928520203
|
| 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 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 496
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 440,
|
| 56 |
+
"num_gt_atoms": 436,
|
| 57 |
+
"num_aligned_atoms": 436
|
| 58 |
+
}
|
| 59 |
+
}
|
8r40_A_a_C_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
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|
|
|
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|
|
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|
|
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|
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|
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|
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|
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|
|
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|
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|
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|
|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r40_A_a_C_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 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9017525225703664,
|
| 16 |
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|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "A",
|
| 21 |
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"total": 15.90225887298584,
|
| 22 |
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|
| 23 |
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"framework": 14.44439697265625,
|
| 24 |
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"cdr_fw_aligned": 28.879457473754883,
|
| 25 |
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|
| 26 |
+
"cdr2": 0.7079504132270813,
|
| 27 |
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"cdr3": 4.034963130950928,
|
| 28 |
+
"cdr1_fw_aligned": 26.7933406829834,
|
| 29 |
+
"cdr2_fw_aligned": 25.93785858154297,
|
| 30 |
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"cdr3_fw_aligned": 30.496562957763672,
|
| 31 |
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"num_residues": 242,
|
| 32 |
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"num_cdr_residues": 31
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "A",
|
| 36 |
+
"total": 15.90225887298584,
|
| 37 |
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|
| 38 |
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"framework": 14.064861297607422,
|
| 39 |
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"cdr_fw_aligned": 30.162368774414062,
|
| 40 |
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"cdr1": 0.5355061292648315,
|
| 41 |
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"cdr2": 0.4683012366294861,
|
| 42 |
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"cdr3": 2.284360408782959,
|
| 43 |
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"cdr1_fw_aligned": 30.37909698486328,
|
| 44 |
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"cdr2_fw_aligned": 30.667661666870117,
|
| 45 |
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"cdr3_fw_aligned": 29.661691665649414,
|
| 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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r40_A_a_C_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 16.309078216552734,
|
| 7 |
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"cdr": 2.1027647852897644,
|
| 8 |
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"framework": 14.210437297821045,
|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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"num_aligned_atoms": 1936,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "A",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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|
| 35 |
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"chain_id": "A",
|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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"cdr3": 1.4373979568481445,
|
| 43 |
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"cdr1_fw_aligned": 31.243207931518555,
|
| 44 |
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"cdr2_fw_aligned": 30.89086151123047,
|
| 45 |
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"cdr3_fw_aligned": 30.27979278564453,
|
| 46 |
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|
| 47 |
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|
| 48 |
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},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 968
|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 968
|
| 58 |
+
}
|
| 59 |
+
}
|
8r4b_B__A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r4b_B__A_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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|
| 20 |
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"chain_id": "B",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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"cdr2": 1.4290776252746582,
|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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"num_aligned_atoms": 428
|
| 38 |
+
}
|
| 39 |
+
}
|
8r4d_B__A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r4d_B__A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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"num_gt_atoms": 769,
|
| 13 |
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|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.7191119691119691,
|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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"total": 2.9411416053771973,
|
| 22 |
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"cdr": 3.7106385231018066,
|
| 23 |
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"framework": 2.3779826164245605,
|
| 24 |
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|
| 25 |
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"cdr1": 1.1063123941421509,
|
| 26 |
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"cdr2": 2.034379005432129,
|
| 27 |
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|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 4.428790092468262,
|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 28
|
| 33 |
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},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
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|
| 37 |
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"num_aligned_atoms": 745
|
| 38 |
+
}
|
| 39 |
+
}
|
8r4d_B__A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
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|
|
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|
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|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
|
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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": "8r4d_B__A_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 1036,
|
| 12 |
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|
| 13 |
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"num_aligned_atoms": 745,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.7191119691119691,
|
| 16 |
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"gt_coverage": 0.9687906371911573,
|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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"total": 3.330799102783203,
|
| 22 |
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"cdr": 4.733414173126221,
|
| 23 |
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"framework": 2.2679293155670166,
|
| 24 |
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|
| 25 |
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"cdr1": 1.176034688949585,
|
| 26 |
+
"cdr2": 2.273190498352051,
|
| 27 |
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"cdr3": 2.733877420425415,
|
| 28 |
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"cdr1_fw_aligned": 3.819617986679077,
|
| 29 |
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"cdr2_fw_aligned": 7.574056625366211,
|
| 30 |
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"cdr3_fw_aligned": 5.744800567626953,
|
| 31 |
+
"num_residues": 107,
|
| 32 |
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"num_cdr_residues": 28
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
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|
| 36 |
+
"num_gt_atoms": 769,
|
| 37 |
+
"num_aligned_atoms": 745
|
| 38 |
+
}
|
| 39 |
+
}
|
8r4d_B__A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
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|
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|
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|
|
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|
|
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|
|
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|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8r4d_B__A_sample_2",
|
| 3 |
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|
| 4 |
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|
| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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| 10 |
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| 11 |
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| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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| 16 |
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| 17 |
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| 18 |
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| 19 |
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| 20 |
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| 21 |
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| 22 |
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| 23 |
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| 24 |
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| 25 |
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| 26 |
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| 27 |
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| 28 |
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| 29 |
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| 30 |
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| 31 |
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| 32 |
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| 33 |
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| 34 |
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| 35 |
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| 36 |
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| 37 |
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|
| 38 |
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}
|
| 39 |
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|
8r4d_B__A_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
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|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8r4d_B__A_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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"chain_id": "B",
|
| 21 |
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|
| 22 |
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|
| 23 |
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| 24 |
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|
| 25 |
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|
| 26 |
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| 27 |
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| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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"num_aligned_atoms": 428
|
| 38 |
+
}
|
| 39 |
+
}
|
8r4d_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8r4d_B__A_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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|
| 5 |
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| 6 |
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|
| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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| 24 |
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|
| 25 |
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|
| 26 |
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| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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"num_aligned_atoms": 745
|
| 38 |
+
}
|
| 39 |
+
}
|
8r80_H_L_R_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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|
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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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|
| 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 |
+
}
|
8r80_H_L_R_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
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|
|
|
|
|
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|
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|
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|
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|
|
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|
|
|
|
|
|
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|
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|
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|
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|
|
|
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|
|
|
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|
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|
|
|
|
|
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|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8r80_H_L_R_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": 1.2214013934135437,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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"total": 1.610872745513916,
|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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},
|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 856
|
| 58 |
+
}
|
| 59 |
+
}
|
8r80_H_L_R_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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|
| 3 |
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|
| 4 |
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|
| 5 |
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| 6 |
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| 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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|
8r80_H_L_R_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 |
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{
|
| 2 |
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"entry": "8r80_H_L_R_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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|
| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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| 16 |
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| 17 |
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|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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| 23 |
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| 24 |
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| 25 |
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| 26 |
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| 27 |
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|
| 28 |
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| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 41 |
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| 42 |
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| 43 |
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| 44 |
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| 45 |
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| 46 |
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| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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|
| 59 |
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|
8r8k_H_L_A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
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|
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|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8r8k_H_L_A_sample_0",
|
| 3 |
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|
| 4 |
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|
| 5 |
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|
| 6 |
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| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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| 24 |
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|
| 25 |
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| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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| 38 |
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| 39 |
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| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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}
|
| 59 |
+
}
|
8r9y_B_C_A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8r9y_B_C_A_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "C",
|
| 36 |
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"total": 1.237900733947754,
|
| 37 |
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|
| 38 |
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|
| 39 |
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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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|
| 58 |
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}
|
| 59 |
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}
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