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- 7vgs_D_C_A_sample_3_rmsd_backbone.json +59 -0
- 8e1m_H_L_C_sample_0_rmsd.json +59 -0
- 8e1m_H_L_C_sample_3_rmsd_backbone.json +59 -0
- 8q7s_F__D_sample_4_rmsd_backbone.json +39 -0
- 8qot_B__A_sample_2_rmsd_backbone.json +39 -0
- 8qq0_E_D_A_sample_4_rmsd_backbone.json +59 -0
- 8qz3_C__B_sample_4_rmsd_backbone.json +39 -0
- 8qz6_B__A_sample_2_rmsd.json +39 -0
- 8qz6_B__A_sample_3_rmsd.json +39 -0
- 8r40_A_a_C_sample_3_rmsd.json +59 -0
- 8r4b_B__A_sample_3_rmsd_backbone.json +39 -0
- 8r4d_B__A_sample_2_rmsd_backbone.json +39 -0
- 8r80_H_L_R_sample_0_rmsd.json +59 -0
- 8r80_H_L_R_sample_1_rmsd.json +59 -0
- 8r80_H_L_R_sample_2_rmsd_backbone.json +59 -0
- 8rek_H_L_A_sample_2_rmsd_backbone.json +59 -0
- 8rh0_H_L_A_sample_3_rmsd_backbone.json +59 -0
- 8rh2_H_L_B_sample_1_rmsd_backbone.json +59 -0
- 8rvn_H_L_F_sample_2_rmsd_backbone.json +59 -0
- 8s0l_B__A_sample_0_rmsd_backbone.json +39 -0
- 8s5w_B__A_sample_0_rmsd_backbone.json +39 -0
- 8s61_B__A_sample_1_rmsd_backbone.json +39 -0
- 8scx_H_L_C_sample_2_rmsd_backbone.json +59 -0
- 8sdg_G_I_C_sample_0_rmsd.json +59 -0
- 8sdg_G_I_C_sample_1_rmsd.json +59 -0
- 8sfx_D__B_sample_0_rmsd.json +39 -0
- 8sgi_H_L_A_sample_2_rmsd.json +59 -0
- 8sgi_H_L_A_sample_2_rmsd_backbone.json +59 -0
- 8sgi_H_L_A_sample_3_rmsd.json +59 -0
- 8sgi_H_L_A_sample_4_rmsd.json +59 -0
- 8sgj_H_L_A_sample_1_rmsd.json +59 -0
- 8sgj_H_L_A_sample_2_rmsd_backbone.json +59 -0
- 8sic_A_B_E_sample_0_rmsd_backbone.json +59 -0
- 8smp_H_L_A_sample_1_rmsd_backbone.json +59 -0
- 8sne_C__A_sample_1_rmsd_backbone.json +39 -0
- 8so3_Y_Z_X_sample_0_rmsd.json +59 -0
- 8so3_Y_Z_X_sample_1_rmsd.json +59 -0
- 8so3_Y_Z_X_sample_4_rmsd_backbone.json +59 -0
- 8t03_C_D_A_sample_3_rmsd_backbone.json +59 -0
- 8t06_C_D_A_sample_4_rmsd_backbone.json +59 -0
- 8t07_C_D_A_sample_0_rmsd_backbone.json +59 -0
- 8t1g_G_I_CD_sample_2_rmsd.json +59 -0
- 8t1g_G_I_CD_sample_3_rmsd.json +59 -0
- 8t9b_C_G_L_sample_4_rmsd.json +59 -0
- 8tco_E_D_AB_sample_3_rmsd_backbone.json +59 -0
- 8tfn_H_L_B_sample_0_rmsd_backbone.json +59 -0
- 8tl3_G_H_AB_sample_0_rmsd_backbone.json +59 -0
- 8tl3_G_H_AB_sample_2_rmsd.json +59 -0
- 8tl5_G_H_AB_sample_0_rmsd.json +59 -0
- 8tng_H__E_sample_3_rmsd_backbone.json +39 -0
7vgs_D_C_A_sample_3_rmsd_backbone.json
ADDED
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{
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"entry": "7vgs_D_C_A_sample_3",
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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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"full_coverage": false
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"heavy_chain": {
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"chain_id": "D",
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"cdr3_fw_aligned": 1.0225470066070557,
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"num_residues": 213,
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"num_cdr_residues": 17
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"light_chain": {
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"chain_id": "C",
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"total": 1.4495731592178345,
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"cdr": 1.2486579418182373,
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"framework": 1.3027435541152954,
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"cdr3": 0.9343712329864502,
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"cdr1_fw_aligned": 3.0649688243865967,
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"num_residues": 218,
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"num_cdr_residues": 31
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8e1m_H_L_C_sample_0_rmsd.json
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{
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"entry": "8e1m_H_L_C_sample_0",
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"success": true,
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"error": null,
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"rmsd": {
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| 13 |
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"alignment_coverage": {
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"pred_coverage": 0.45324347093513057,
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"gt_coverage": 0.9286536248561565,
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"full_coverage": false
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| 19 |
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"heavy_chain": {
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"num_residues": 117,
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| 58 |
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}
|
| 59 |
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}
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8e1m_H_L_C_sample_3_rmsd_backbone.json
ADDED
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{
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"entry": "8e1m_H_L_C_sample_3",
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"success": true,
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| 4 |
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"error": null,
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"rmsd": {
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| 18 |
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"heavy_chain": {
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| 32 |
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| 33 |
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| 48 |
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| 53 |
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| 58 |
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}
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| 59 |
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}
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8q7s_F__D_sample_4_rmsd_backbone.json
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{
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"entry": "8q7s_F__D_sample_4",
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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": 1.2545013427734375,
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| 7 |
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"cdr": 2.1343846321105957,
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| 8 |
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"framework": 0.484491229057312,
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| 9 |
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"cdr_fw_aligned": 2.4740378856658936
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| 10 |
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},
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| 11 |
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"num_pred_atoms": 524,
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| 12 |
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"num_gt_atoms": 512,
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| 13 |
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"num_aligned_atoms": 512,
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| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9770992366412213,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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"framework": 0.484491229057312,
|
| 24 |
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"cdr_fw_aligned": 2.4740378856658936,
|
| 25 |
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"cdr1": 2.3315987586975098,
|
| 26 |
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|
| 27 |
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|
| 28 |
+
"cdr1_fw_aligned": 4.299606800079346,
|
| 29 |
+
"cdr2_fw_aligned": 1.078865885734558,
|
| 30 |
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"cdr3_fw_aligned": 1.769291877746582,
|
| 31 |
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|
| 32 |
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"num_cdr_residues": 32
|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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"num_gt_atoms": 512,
|
| 37 |
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"num_aligned_atoms": 512
|
| 38 |
+
}
|
| 39 |
+
}
|
8qot_B__A_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qot_B__A_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.5554828643798828,
|
| 7 |
+
"cdr": 1.9011144638061523,
|
| 8 |
+
"framework": 0.8586604595184326,
|
| 9 |
+
"cdr_fw_aligned": 3.5760443210601807
|
| 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": 1.5554828643798828,
|
| 22 |
+
"cdr": 1.9011144638061523,
|
| 23 |
+
"framework": 0.8586604595184326,
|
| 24 |
+
"cdr_fw_aligned": 3.5760443210601807,
|
| 25 |
+
"cdr1": 1.968950629234314,
|
| 26 |
+
"cdr2": 0.23552876710891724,
|
| 27 |
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"cdr3": 1.4620236158370972,
|
| 28 |
+
"cdr1_fw_aligned": 2.502821683883667,
|
| 29 |
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"cdr2_fw_aligned": 0.84442538022995,
|
| 30 |
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"cdr3_fw_aligned": 4.456198215484619,
|
| 31 |
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|
| 32 |
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"num_cdr_residues": 27
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 684,
|
| 36 |
+
"num_gt_atoms": 500,
|
| 37 |
+
"num_aligned_atoms": 500
|
| 38 |
+
}
|
| 39 |
+
}
|
8qq0_E_D_A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qq0_E_D_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": 1.544651746749878,
|
| 7 |
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"cdr": 1.966481864452362,
|
| 8 |
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"framework": 1.1552078425884247,
|
| 9 |
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"cdr_fw_aligned": 2.350583255290985
|
| 10 |
+
},
|
| 11 |
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|
| 12 |
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"num_gt_atoms": 924,
|
| 13 |
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"num_aligned_atoms": 924,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "E",
|
| 21 |
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"total": 1.004481554031372,
|
| 22 |
+
"cdr": 1.0463436841964722,
|
| 23 |
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"framework": 0.9155617356300354,
|
| 24 |
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"cdr_fw_aligned": 1.351011872291565,
|
| 25 |
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"cdr1": 0.5817456245422363,
|
| 26 |
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"cdr2": 0.3572145998477936,
|
| 27 |
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"cdr3": 1.1695141792297363,
|
| 28 |
+
"cdr1_fw_aligned": 1.2275826930999756,
|
| 29 |
+
"cdr2_fw_aligned": 0.732072651386261,
|
| 30 |
+
"cdr3_fw_aligned": 1.609859824180603,
|
| 31 |
+
"num_residues": 120,
|
| 32 |
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"num_cdr_residues": 26
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "D",
|
| 36 |
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"total": 2.084821939468384,
|
| 37 |
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"cdr": 2.886620044708252,
|
| 38 |
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"framework": 1.394853949546814,
|
| 39 |
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"cdr_fw_aligned": 3.3501546382904053,
|
| 40 |
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|
| 41 |
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"cdr2": 0.5015828013420105,
|
| 42 |
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"cdr3": 0.7205937504768372,
|
| 43 |
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"cdr1_fw_aligned": 4.57181453704834,
|
| 44 |
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"cdr2_fw_aligned": 1.2846781015396118,
|
| 45 |
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"cdr3_fw_aligned": 2.091766357421875,
|
| 46 |
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|
| 47 |
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"num_cdr_residues": 31
|
| 48 |
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},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 916,
|
| 51 |
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"num_gt_atoms": 480,
|
| 52 |
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"num_aligned_atoms": 480
|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 444
|
| 58 |
+
}
|
| 59 |
+
}
|
8qz3_C__B_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": "8qz3_C__B_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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"framework": 0.5278290510177612,
|
| 9 |
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"cdr_fw_aligned": 1.258005976676941
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 548,
|
| 12 |
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"num_gt_atoms": 508,
|
| 13 |
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"num_aligned_atoms": 508,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.927007299270073,
|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
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"total": 0.7652627229690552,
|
| 22 |
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"cdr": 1.1971735954284668,
|
| 23 |
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"framework": 0.5278290510177612,
|
| 24 |
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"cdr_fw_aligned": 1.258005976676941,
|
| 25 |
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"cdr1": 1.0896424055099487,
|
| 26 |
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"cdr2": 0.28676044940948486,
|
| 27 |
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"cdr3": 1.0079247951507568,
|
| 28 |
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"cdr1_fw_aligned": 1.4552180767059326,
|
| 29 |
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"cdr2_fw_aligned": 0.8410736918449402,
|
| 30 |
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"cdr3_fw_aligned": 1.2908210754394531,
|
| 31 |
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|
| 32 |
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"num_cdr_residues": 31
|
| 33 |
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},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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"num_pred_atoms": 548,
|
| 36 |
+
"num_gt_atoms": 508,
|
| 37 |
+
"num_aligned_atoms": 508
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz6_B__A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
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|
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|
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|
|
|
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|
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|
|
|
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|
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|
|
|
|
|
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|
|
|
|
|
|
|
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|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz6_B__A_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 1016,
|
| 12 |
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"num_gt_atoms": 913,
|
| 13 |
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"num_aligned_atoms": 839,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.8257874015748031,
|
| 16 |
+
"gt_coverage": 0.91894852135816,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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"total": 1.587950348854065,
|
| 22 |
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"cdr": 2.528827667236328,
|
| 23 |
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"framework": 1.0656846761703491,
|
| 24 |
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|
| 25 |
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"cdr1": 0.636502206325531,
|
| 26 |
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"cdr2": 0.35788092017173767,
|
| 27 |
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"cdr3": 2.5420713424682617,
|
| 28 |
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"cdr1_fw_aligned": 1.01812744140625,
|
| 29 |
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"cdr2_fw_aligned": 0.4905720353126526,
|
| 30 |
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"cdr3_fw_aligned": 3.9622795581817627,
|
| 31 |
+
"num_residues": 124,
|
| 32 |
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"num_cdr_residues": 30
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
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|
| 36 |
+
"num_gt_atoms": 913,
|
| 37 |
+
"num_aligned_atoms": 839
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz6_B__A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
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|
|
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|
|
|
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|
|
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|
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|
|
|
|
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|
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|
|
|
|
|
|
|
|
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|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz6_B__A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.5460972785949707,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
+
},
|
| 11 |
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|
| 12 |
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"num_gt_atoms": 913,
|
| 13 |
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|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.8257874015748031,
|
| 16 |
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"gt_coverage": 0.91894852135816,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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"total": 1.5460972785949707,
|
| 22 |
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"cdr": 2.47491192817688,
|
| 23 |
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"framework": 1.0756548643112183,
|
| 24 |
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"cdr_fw_aligned": 2.878811836242676,
|
| 25 |
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"cdr1": 1.520899772644043,
|
| 26 |
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"cdr2": 0.3872007727622986,
|
| 27 |
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"cdr3": 2.256218671798706,
|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 0.5069481730461121,
|
| 30 |
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"cdr3_fw_aligned": 3.5671677589416504,
|
| 31 |
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"num_residues": 124,
|
| 32 |
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"num_cdr_residues": 30
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
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"num_pred_atoms": 1016,
|
| 36 |
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"num_gt_atoms": 913,
|
| 37 |
+
"num_aligned_atoms": 839
|
| 38 |
+
}
|
| 39 |
+
}
|
8r40_A_a_C_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8r40_A_a_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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| 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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| 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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|
8r4b_B__A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
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|
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|
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|
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|
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|
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|
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|
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|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r4b_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": 2.6980934143066406,
|
| 7 |
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|
| 8 |
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| 9 |
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"cdr_fw_aligned": 4.741124629974365
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 548,
|
| 12 |
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"num_gt_atoms": 428,
|
| 13 |
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"num_aligned_atoms": 428,
|
| 14 |
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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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| 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": 428,
|
| 37 |
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"num_aligned_atoms": 428
|
| 38 |
+
}
|
| 39 |
+
}
|
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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|
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|
|
|
|
|
|
|
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|
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|
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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_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
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"num_gt_atoms": 428,
|
| 37 |
+
"num_aligned_atoms": 428
|
| 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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|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8r80_H_L_R_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 |
+
"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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"framework": 1.0095744132995605,
|
| 39 |
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|
| 40 |
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"cdr1": 0.47684869170188904,
|
| 41 |
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|
| 42 |
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"cdr3": 0.9405245780944824,
|
| 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 |
+
}
|
8r80_H_L_R_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
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|
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|
|
|
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|
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|
|
|
|
|
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|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r80_H_L_R_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.3036730289459229,
|
| 7 |
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"cdr": 1.9761285781860352,
|
| 8 |
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"framework": 1.1517196297645569,
|
| 9 |
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"cdr_fw_aligned": 2.3752909302711487
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 3256,
|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9705159705159705,
|
| 16 |
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"gt_coverage": 0.966952264381885,
|
| 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": 1.5369336605072021,
|
| 22 |
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"cdr": 3.1275746822357178,
|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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"cdr2": 0.37420862913131714,
|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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"cdr3_fw_aligned": 5.008706569671631,
|
| 31 |
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"num_residues": 220,
|
| 32 |
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"num_cdr_residues": 23
|
| 33 |
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},
|
| 34 |
+
"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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"total": 1.0704123973846436,
|
| 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": 1587
|
| 58 |
+
}
|
| 59 |
+
}
|
8r80_H_L_R_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
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|
| 1 |
+
{
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| 2 |
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"entry": "8r80_H_L_R_sample_2",
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| 3 |
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"success": true,
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| 4 |
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"error": null,
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| 5 |
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| 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": {
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| 15 |
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"pred_coverage": 0.9908675799086758,
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| 16 |
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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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| 21 |
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| 22 |
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| 23 |
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| 24 |
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| 25 |
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| 26 |
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| 27 |
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| 28 |
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| 29 |
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| 30 |
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| 31 |
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| 32 |
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|
| 33 |
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|
| 34 |
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| 35 |
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"chain_id": "L",
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| 36 |
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| 37 |
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| 38 |
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"framework": 0.9979394674301147,
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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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| 57 |
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|
| 58 |
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}
|
| 59 |
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}
|
8rek_H_L_A_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
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|
| 1 |
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{
|
| 2 |
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"entry": "8rek_H_L_A_sample_2",
|
| 3 |
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"success": true,
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| 4 |
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"error": null,
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| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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| 15 |
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| 16 |
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| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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| 22 |
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| 23 |
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| 24 |
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| 25 |
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| 27 |
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| 28 |
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| 29 |
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| 30 |
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| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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|
| 35 |
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| 36 |
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| 37 |
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| 42 |
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| 44 |
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| 46 |
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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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}
|
8rh0_H_L_A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
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|
| 1 |
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{
|
| 2 |
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"entry": "8rh0_H_L_A_sample_3",
|
| 3 |
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|
| 4 |
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|
| 5 |
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|
| 6 |
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| 7 |
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| 8 |
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| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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| 23 |
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| 24 |
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|
| 25 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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| 37 |
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| 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 |
+
}
|
8rh2_H_L_B_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
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|
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|
| 1 |
+
{
|
| 2 |
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"entry": "8rh2_H_L_B_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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},
|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 476
|
| 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": 420
|
| 58 |
+
}
|
| 59 |
+
}
|
8rvn_H_L_F_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8rvn_H_L_F_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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"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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|
8s0l_B__A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
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|
|
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|
|
|
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|
|
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|
|
|
|
|
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|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8s0l_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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"cdr": 2.196181535720825,
|
| 8 |
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"framework": 0.4752846658229828,
|
| 9 |
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"cdr_fw_aligned": 2.432547092437744
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 600,
|
| 12 |
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"num_gt_atoms": 520,
|
| 13 |
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"num_aligned_atoms": 520,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.8666666666666667,
|
| 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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"cdr2": 0.27360668778419495,
|
| 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": 520,
|
| 37 |
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"num_aligned_atoms": 520
|
| 38 |
+
}
|
| 39 |
+
}
|
8s5w_B__A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8s5w_B__A_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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"num_gt_atoms": 488,
|
| 13 |
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|
| 14 |
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|
| 15 |
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"pred_coverage": 0.8714285714285714,
|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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"num_aligned_atoms": 488
|
| 38 |
+
}
|
| 39 |
+
}
|
8s61_B__A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8s61_B__A_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": true
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
+
"num_gt_atoms": 488,
|
| 37 |
+
"num_aligned_atoms": 488
|
| 38 |
+
}
|
| 39 |
+
}
|
8scx_H_L_C_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
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|
|
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|
|
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|
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|
|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8scx_H_L_C_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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"cdr3": 0.5444474816322327,
|
| 28 |
+
"cdr1_fw_aligned": 0.47922834753990173,
|
| 29 |
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|
| 30 |
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"cdr3_fw_aligned": 1.2502275705337524,
|
| 31 |
+
"num_residues": 117,
|
| 32 |
+
"num_cdr_residues": 21
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
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"total": 0.4871698021888733,
|
| 37 |
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"cdr": 0.446157306432724,
|
| 38 |
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"framework": 0.47504162788391113,
|
| 39 |
+
"cdr_fw_aligned": 0.5584715604782104,
|
| 40 |
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"cdr1": 0.5110407471656799,
|
| 41 |
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"cdr2": 0.30825304985046387,
|
| 42 |
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"cdr3": 0.3208657503128052,
|
| 43 |
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"cdr1_fw_aligned": 0.6771925091743469,
|
| 44 |
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"cdr2_fw_aligned": 0.3721770942211151,
|
| 45 |
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"cdr3_fw_aligned": 0.4497027099132538,
|
| 46 |
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"num_residues": 111,
|
| 47 |
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"num_cdr_residues": 31
|
| 48 |
+
},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 468
|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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"num_gt_atoms": 444,
|
| 57 |
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"num_aligned_atoms": 444
|
| 58 |
+
}
|
| 59 |
+
}
|
8sdg_G_I_C_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
| 1 |
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{
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| 2 |
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| 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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|
8sdg_G_I_C_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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|
|
|
|
|
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|
|
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|
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|
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|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
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|
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|
|
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|
|
|
|
|
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|
|
|
|
|
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|
|
|
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|
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|
|
|
|
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|
| 1 |
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{
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| 2 |
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"entry": "8sdg_G_I_C_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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| 15 |
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| 16 |
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| 17 |
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|
| 18 |
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|
| 19 |
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| 20 |
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|
| 21 |
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|
| 22 |
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| 23 |
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| 24 |
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| 25 |
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| 26 |
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| 27 |
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| 28 |
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|
| 29 |
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| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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| 37 |
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| 38 |
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| 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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|
| 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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|
8sfx_D__B_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
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|
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|
|
|
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|
|
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|
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|
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|
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|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8sfx_D__B_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 |
+
}
|
8sgi_H_L_A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
|
|
|
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|
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|
|
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|
|
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|
|
|
|
|
|
|
|
|
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|
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|
|
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|
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|
|
|
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|
|
|
|
|
|
|
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|
|
|
|
|
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|
|
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|
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|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8sgi_H_L_A_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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|
| 5 |
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|
| 6 |
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|
| 7 |
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| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
+
}
|
| 59 |
+
}
|
8sgi_H_L_A_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8sgi_H_L_A_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 0.8807654678821564,
|
| 7 |
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"cdr": 1.2018620073795319,
|
| 8 |
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"framework": 0.6495155692100525,
|
| 9 |
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"cdr_fw_aligned": 1.4488869905471802
|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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"num_aligned_atoms": 924,
|
| 14 |
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|
| 15 |
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"pred_coverage": 0.5121951219512195,
|
| 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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"total": 1.069655179977417,
|
| 22 |
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| 23 |
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| 24 |
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| 25 |
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| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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"cdr3": 0.8079136610031128,
|
| 43 |
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|
| 44 |
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"cdr2_fw_aligned": 0.5417406558990479,
|
| 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": 484
|
| 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 |
+
"num_aligned_atoms": 440
|
| 58 |
+
}
|
| 59 |
+
}
|
8sgi_H_L_A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sgi_H_L_A_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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"cdr3": 0.7420700192451477,
|
| 43 |
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"cdr1_fw_aligned": 0.6865440607070923,
|
| 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": 744
|
| 58 |
+
}
|
| 59 |
+
}
|
8sgi_H_L_A_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8sgi_H_L_A_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.4886672710788758,
|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 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 |
+
}
|
8sgj_H_L_A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
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|
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|
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|
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|
|
|
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|
|
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|
|
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|
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|
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|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8sgj_H_L_A_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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|
| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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| 20 |
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|
| 21 |
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| 22 |
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| 25 |
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| 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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| 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 |
+
}
|
8sgj_H_L_A_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8sgj_H_L_A_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 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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| 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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"total": 0.697567343711853,
|
| 37 |
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| 38 |
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|
| 39 |
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| 40 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
+
"num_residues": 110,
|
| 47 |
+
"num_cdr_residues": 30
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 996,
|
| 51 |
+
"num_gt_atoms": 484,
|
| 52 |
+
"num_aligned_atoms": 484
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 808,
|
| 56 |
+
"num_gt_atoms": 440,
|
| 57 |
+
"num_aligned_atoms": 440
|
| 58 |
+
}
|
| 59 |
+
}
|
8sic_A_B_E_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sic_A_B_E_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 8.953357696533203,
|
| 7 |
+
"cdr": 0.7691586315631866,
|
| 8 |
+
"framework": 8.513822555541992,
|
| 9 |
+
"cdr_fw_aligned": 13.01313066482544
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1748,
|
| 12 |
+
"num_gt_atoms": 1748,
|
| 13 |
+
"num_aligned_atoms": 1748,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 1.0,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "A",
|
| 21 |
+
"total": 9.153385162353516,
|
| 22 |
+
"cdr": 0.7319630980491638,
|
| 23 |
+
"framework": 8.987459182739258,
|
| 24 |
+
"cdr_fw_aligned": 11.491263389587402,
|
| 25 |
+
"cdr1": 0.6243616342544556,
|
| 26 |
+
"cdr2": 0.310279905796051,
|
| 27 |
+
"cdr3": 0.5640351176261902,
|
| 28 |
+
"cdr1_fw_aligned": 16.307512283325195,
|
| 29 |
+
"cdr2_fw_aligned": 13.022741317749023,
|
| 30 |
+
"cdr3_fw_aligned": 7.275191307067871,
|
| 31 |
+
"num_residues": 222,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "B",
|
| 36 |
+
"total": 8.75333023071289,
|
| 37 |
+
"cdr": 0.8063541650772095,
|
| 38 |
+
"framework": 8.040185928344727,
|
| 39 |
+
"cdr_fw_aligned": 14.534997940063477,
|
| 40 |
+
"cdr1": 0.6128292679786682,
|
| 41 |
+
"cdr2": 0.3037292957305908,
|
| 42 |
+
"cdr3": 0.3698415458202362,
|
| 43 |
+
"cdr1_fw_aligned": 16.151782989501953,
|
| 44 |
+
"cdr2_fw_aligned": 12.04151725769043,
|
| 45 |
+
"cdr3_fw_aligned": 13.794602394104004,
|
| 46 |
+
"num_residues": 215,
|
| 47 |
+
"num_cdr_residues": 32
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 888,
|
| 51 |
+
"num_gt_atoms": 888,
|
| 52 |
+
"num_aligned_atoms": 888
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 860,
|
| 56 |
+
"num_gt_atoms": 860,
|
| 57 |
+
"num_aligned_atoms": 860
|
| 58 |
+
}
|
| 59 |
+
}
|
8smp_H_L_A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8smp_H_L_A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.6185670495033264,
|
| 7 |
+
"cdr": 2.732989013195038,
|
| 8 |
+
"framework": 0.7087780237197876,
|
| 9 |
+
"cdr_fw_aligned": 3.227245807647705
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1796,
|
| 12 |
+
"num_gt_atoms": 920,
|
| 13 |
+
"num_aligned_atoms": 920,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.512249443207127,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.9991772174835205,
|
| 22 |
+
"cdr": 3.6399123668670654,
|
| 23 |
+
"framework": 0.606194794178009,
|
| 24 |
+
"cdr_fw_aligned": 4.353405952453613,
|
| 25 |
+
"cdr1": 0.295134574174881,
|
| 26 |
+
"cdr2": 0.9663000106811523,
|
| 27 |
+
"cdr3": 4.277062892913818,
|
| 28 |
+
"cdr1_fw_aligned": 0.6881557106971741,
|
| 29 |
+
"cdr2_fw_aligned": 1.2657746076583862,
|
| 30 |
+
"cdr3_fw_aligned": 5.968846321105957,
|
| 31 |
+
"num_residues": 124,
|
| 32 |
+
"num_cdr_residues": 27
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 1.2379568815231323,
|
| 37 |
+
"cdr": 1.8260656595230103,
|
| 38 |
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"framework": 0.8113612532615662,
|
| 39 |
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"cdr_fw_aligned": 2.101085662841797,
|
| 40 |
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|
| 41 |
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"cdr2": 0.45250871777534485,
|
| 42 |
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"cdr3": 1.4477959871292114,
|
| 43 |
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"cdr1_fw_aligned": 2.7887661457061768,
|
| 44 |
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"cdr2_fw_aligned": 0.7060902118682861,
|
| 45 |
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"cdr3_fw_aligned": 1.830430269241333,
|
| 46 |
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"num_residues": 106,
|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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"num_gt_atoms": 496,
|
| 52 |
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"num_aligned_atoms": 496
|
| 53 |
+
},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
+
"num_gt_atoms": 424,
|
| 57 |
+
"num_aligned_atoms": 424
|
| 58 |
+
}
|
| 59 |
+
}
|
8sne_C__A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sne_C__A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 2.8020596504211426,
|
| 7 |
+
"cdr": 3.510388135910034,
|
| 8 |
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"framework": 1.0606741905212402,
|
| 9 |
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"cdr_fw_aligned": 7.030254364013672
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 528,
|
| 12 |
+
"num_gt_atoms": 492,
|
| 13 |
+
"num_aligned_atoms": 492,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9318181818181818,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
+
"total": 2.8020596504211426,
|
| 22 |
+
"cdr": 3.510388135910034,
|
| 23 |
+
"framework": 1.0606741905212402,
|
| 24 |
+
"cdr_fw_aligned": 7.030254364013672,
|
| 25 |
+
"cdr1": 2.1366467475891113,
|
| 26 |
+
"cdr2": 0.17068910598754883,
|
| 27 |
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"cdr3": 1.9699344635009766,
|
| 28 |
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"cdr1_fw_aligned": 3.3595011234283447,
|
| 29 |
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"cdr2_fw_aligned": 1.2211800813674927,
|
| 30 |
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"cdr3_fw_aligned": 9.252700805664062,
|
| 31 |
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"num_residues": 123,
|
| 32 |
+
"num_cdr_residues": 26
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 528,
|
| 36 |
+
"num_gt_atoms": 492,
|
| 37 |
+
"num_aligned_atoms": 492
|
| 38 |
+
}
|
| 39 |
+
}
|
8so3_Y_Z_X_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8so3_Y_Z_X_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 9.321989297866821,
|
| 7 |
+
"cdr": 1.5344240069389343,
|
| 8 |
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"framework": 9.00790286064148,
|
| 9 |
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"cdr_fw_aligned": 12.426714897155762
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 3673,
|
| 12 |
+
"num_gt_atoms": 3143,
|
| 13 |
+
"num_aligned_atoms": 3028,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.8243942281513749,
|
| 16 |
+
"gt_coverage": 0.9634107540566338,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "Y",
|
| 21 |
+
"total": 7.630860805511475,
|
| 22 |
+
"cdr": 2.031654119491577,
|
| 23 |
+
"framework": 7.531151294708252,
|
| 24 |
+
"cdr_fw_aligned": 9.542500495910645,
|
| 25 |
+
"cdr1": 0.8313291668891907,
|
| 26 |
+
"cdr2": 0.6043393611907959,
|
| 27 |
+
"cdr3": 2.159461259841919,
|
| 28 |
+
"cdr1_fw_aligned": 10.20485782623291,
|
| 29 |
+
"cdr2_fw_aligned": 8.29312515258789,
|
| 30 |
+
"cdr3_fw_aligned": 9.718976974487305,
|
| 31 |
+
"num_residues": 213,
|
| 32 |
+
"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "Z",
|
| 36 |
+
"total": 11.013117790222168,
|
| 37 |
+
"cdr": 1.0371938943862915,
|
| 38 |
+
"framework": 10.484654426574707,
|
| 39 |
+
"cdr_fw_aligned": 15.310929298400879,
|
| 40 |
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"cdr1": 1.0444188117980957,
|
| 41 |
+
"cdr2": 0.6772856116294861,
|
| 42 |
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"cdr3": 0.6872625946998596,
|
| 43 |
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"cdr1_fw_aligned": 16.113384246826172,
|
| 44 |
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"cdr2_fw_aligned": 10.837905883789062,
|
| 45 |
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"cdr3_fw_aligned": 16.630733489990234,
|
| 46 |
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"num_residues": 216,
|
| 47 |
+
"num_cdr_residues": 31
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 1880,
|
| 51 |
+
"num_gt_atoms": 1565,
|
| 52 |
+
"num_aligned_atoms": 1500
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 1793,
|
| 56 |
+
"num_gt_atoms": 1578,
|
| 57 |
+
"num_aligned_atoms": 1528
|
| 58 |
+
}
|
| 59 |
+
}
|
8so3_Y_Z_X_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
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|
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|
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|
|
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|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8so3_Y_Z_X_sample_1",
|
| 3 |
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| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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| 10 |
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| 11 |
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| 12 |
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|
| 13 |
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| 14 |
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|
| 15 |
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| 16 |
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| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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| 43 |
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|
| 44 |
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| 45 |
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|
| 46 |
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| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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| 57 |
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|
| 58 |
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}
|
| 59 |
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}
|
8so3_Y_Z_X_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8so3_Y_Z_X_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "Y",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 8.519699096679688,
|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
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"light_chain": {
|
| 35 |
+
"chain_id": "Z",
|
| 36 |
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"total": 10.857040405273438,
|
| 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": 0.5413980484008789,
|
| 43 |
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|
| 44 |
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"cdr2_fw_aligned": 10.537458419799805,
|
| 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": 852
|
| 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": 863,
|
| 57 |
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"num_aligned_atoms": 863
|
| 58 |
+
}
|
| 59 |
+
}
|
8t03_C_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8t03_C_D_A_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 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": true
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "C",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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| 40 |
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| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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},
|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 428
|
| 58 |
+
}
|
| 59 |
+
}
|
8t06_C_D_A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8t06_C_D_A_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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| 6 |
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|
| 7 |
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| 8 |
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| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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| 22 |
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| 23 |
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| 25 |
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|
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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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|
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|
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|
| 43 |
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|
| 44 |
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|
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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 |
+
}
|
8t07_C_D_A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
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|
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|
|
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|
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|
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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": "8t07_C_D_A_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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"total": 0.6885680854320526,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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| 15 |
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| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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| 22 |
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| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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| 27 |
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| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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| 42 |
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|
| 43 |
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|
| 44 |
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| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 428
|
| 58 |
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}
|
| 59 |
+
}
|
8t1g_G_I_CD_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8t1g_G_I_CD_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 1600
|
| 58 |
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}
|
| 59 |
+
}
|
8t1g_G_I_CD_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8t1g_G_I_CD_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "G",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 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 |
+
}
|
8t9b_C_G_L_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
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|
|
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|
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|
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|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
|
|
|
|
|
|
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|
|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
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|
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|
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|
|
|
|
|
|
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|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8t9b_C_G_L_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 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 |
+
}
|
8tco_E_D_AB_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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|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tco_E_D_AB_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": 1.2618885040283203,
|
| 7 |
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"cdr": 1.8054757118225098,
|
| 8 |
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"framework": 0.7868020832538605,
|
| 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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"cdr1_fw_aligned": 0.8262532353401184,
|
| 29 |
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"cdr2_fw_aligned": 1.2226862907409668,
|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 29
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "D",
|
| 36 |
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"total": 0.8624788522720337,
|
| 37 |
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|
| 38 |
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|
| 39 |
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"cdr_fw_aligned": 1.3090795278549194,
|
| 40 |
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"cdr1": 0.35586559772491455,
|
| 41 |
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"cdr2": 1.2275840044021606,
|
| 42 |
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"cdr3": 1.0459065437316895,
|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 496
|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 432
|
| 58 |
+
}
|
| 59 |
+
}
|
8tfn_H_L_B_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
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|
|
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|
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|
|
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|
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|
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|
|
|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tfn_H_L_B_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": 2.1235501766204834,
|
| 7 |
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"cdr": 1.1440816223621368,
|
| 8 |
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"framework": 2.0165959000587463,
|
| 9 |
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"cdr_fw_aligned": 3.056752920150757
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 1756,
|
| 12 |
+
"num_gt_atoms": 1584,
|
| 13 |
+
"num_aligned_atoms": 1584,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9020501138952164,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 2.0589003562927246,
|
| 22 |
+
"cdr": 1.9063720703125,
|
| 23 |
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"framework": 1.9334701299667358,
|
| 24 |
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"cdr_fw_aligned": 2.9813435077667236,
|
| 25 |
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"cdr1": 0.735541582107544,
|
| 26 |
+
"cdr2": 0.32763993740081787,
|
| 27 |
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"cdr3": 2.2413930892944336,
|
| 28 |
+
"cdr1_fw_aligned": 3.437633514404297,
|
| 29 |
+
"cdr2_fw_aligned": 2.595858335494995,
|
| 30 |
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|
| 31 |
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|
| 32 |
+
"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 2.188199996948242,
|
| 37 |
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"cdr": 0.3817911744117737,
|
| 38 |
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"framework": 2.099721670150757,
|
| 39 |
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"cdr_fw_aligned": 3.13216233253479,
|
| 40 |
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|
| 41 |
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"cdr2": 0.31652387976646423,
|
| 42 |
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"cdr3": 0.32221874594688416,
|
| 43 |
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"cdr1_fw_aligned": 3.4629385471343994,
|
| 44 |
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"cdr2_fw_aligned": 3.541428804397583,
|
| 45 |
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"cdr3_fw_aligned": 2.240473985671997,
|
| 46 |
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|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
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},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 788
|
| 53 |
+
},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 796,
|
| 57 |
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"num_aligned_atoms": 796
|
| 58 |
+
}
|
| 59 |
+
}
|
8tl3_G_H_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": "8tl3_G_H_AB_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.643333524465561,
|
| 7 |
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"cdr": 1.8436936438083649,
|
| 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": 944,
|
| 13 |
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"num_aligned_atoms": 944,
|
| 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 |
+
"chain_id": "G",
|
| 21 |
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"total": 2.5392823219299316,
|
| 22 |
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"cdr": 3.1859424114227295,
|
| 23 |
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"framework": 0.4668450355529785,
|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 0.9249517917633057,
|
| 29 |
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|
| 30 |
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|
| 31 |
+
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|
| 32 |
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"num_cdr_residues": 31
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "H",
|
| 36 |
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"total": 0.7473847270011902,
|
| 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 |
+
},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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"num_gt_atoms": 440,
|
| 57 |
+
"num_aligned_atoms": 440
|
| 58 |
+
}
|
| 59 |
+
}
|
8tl3_G_H_AB_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8tl3_G_H_AB_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": 1.966745674610138,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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|
| 36 |
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"total": 1.0054823160171509,
|
| 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 |
+
},
|
| 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 |
+
"num_aligned_atoms": 800
|
| 58 |
+
}
|
| 59 |
+
}
|
8tl5_G_H_AB_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
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|
|
|
|
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|
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|
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|
|
|
|
|
|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tl5_G_H_AB_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.0116227865219116,
|
| 7 |
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"cdr": 3.062275528907776,
|
| 8 |
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"framework": 1.0844178199768066,
|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.4856115107913669,
|
| 16 |
+
"gt_coverage": 0.9220261809903244,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "G",
|
| 21 |
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"total": 2.991875410079956,
|
| 22 |
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"cdr": 5.4779133796691895,
|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 0.5279874801635742,
|
| 30 |
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"cdr3_fw_aligned": 9.758049964904785,
|
| 31 |
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"num_residues": 126,
|
| 32 |
+
"num_cdr_residues": 30
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "H",
|
| 36 |
+
"total": 1.0313701629638672,
|
| 37 |
+
"cdr": 0.6466376781463623,
|
| 38 |
+
"framework": 1.0570881366729736,
|
| 39 |
+
"cdr_fw_aligned": 0.9974289536476135,
|
| 40 |
+
"cdr1": 0.5019305944442749,
|
| 41 |
+
"cdr2": 0.3153655230998993,
|
| 42 |
+
"cdr3": 0.488752543926239,
|
| 43 |
+
"cdr1_fw_aligned": 0.9489369988441467,
|
| 44 |
+
"cdr2_fw_aligned": 0.5928812623023987,
|
| 45 |
+
"cdr3_fw_aligned": 1.2252843379974365,
|
| 46 |
+
"num_residues": 107,
|
| 47 |
+
"num_cdr_residues": 28
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 1736,
|
| 51 |
+
"num_gt_atoms": 934,
|
| 52 |
+
"num_aligned_atoms": 872
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 1600,
|
| 56 |
+
"num_gt_atoms": 823,
|
| 57 |
+
"num_aligned_atoms": 748
|
| 58 |
+
}
|
| 59 |
+
}
|
8tng_H__E_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
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|
|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tng_H__E_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.6173415184020996,
|
| 7 |
+
"cdr": 2.5572001934051514,
|
| 8 |
+
"framework": 1.1317923069000244,
|
| 9 |
+
"cdr_fw_aligned": 2.758821487426758
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 484,
|
| 12 |
+
"num_gt_atoms": 484,
|
| 13 |
+
"num_aligned_atoms": 484,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 1.0,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.6173415184020996,
|
| 22 |
+
"cdr": 2.5572001934051514,
|
| 23 |
+
"framework": 1.1317923069000244,
|
| 24 |
+
"cdr_fw_aligned": 2.758821487426758,
|
| 25 |
+
"cdr1": 1.7824581861495972,
|
| 26 |
+
"cdr2": 0.7468122243881226,
|
| 27 |
+
"cdr3": 2.5078158378601074,
|
| 28 |
+
"cdr1_fw_aligned": 2.735468626022339,
|
| 29 |
+
"cdr2_fw_aligned": 2.5572848320007324,
|
| 30 |
+
"cdr3_fw_aligned": 2.8207573890686035,
|
| 31 |
+
"num_residues": 121,
|
| 32 |
+
"num_cdr_residues": 26
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 484,
|
| 36 |
+
"num_gt_atoms": 484,
|
| 37 |
+
"num_aligned_atoms": 484
|
| 38 |
+
}
|
| 39 |
+
}
|