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- 7vgs_D_C_A_sample_3_rmsd_backbone.json +59 -0
- 8e1m_H_L_C_sample_1_rmsd.json +59 -0
- 8euq_C_D_AB_sample_1_rmsd_backbone.json +59 -0
- 8q7o_A__C_sample_4_rmsd_backbone.json +39 -0
- 8qot_B__A_sample_3_rmsd_backbone.json +39 -0
- 8r40_A_a_C_sample_4_rmsd.json +59 -0
- 8r4b_B__A_sample_2_rmsd_backbone.json +39 -0
- 8rek_H_L_A_sample_2_rmsd_backbone.json +59 -0
- 8rvn_H_L_F_sample_2_rmsd_backbone.json +59 -0
- 8s0l_B__A_sample_1_rmsd_backbone.json +39 -0
- 8s0l_B__A_sample_3_rmsd.json +39 -0
- 8s5w_B__A_sample_1_rmsd.json +39 -0
- 8s5w_B__A_sample_1_rmsd_backbone.json +39 -0
- 8scx_H_L_C_sample_2_rmsd.json +59 -0
- 8sfx_D__B_sample_2_rmsd.json +39 -0
- 8sgj_H_L_A_sample_2_rmsd_backbone.json +59 -0
- 8smm_H_L_A_sample_3_rmsd_backbone.json +59 -0
- 8smp_H_L_A_sample_1_rmsd_backbone.json +59 -0
- 8so3_Y_Z_X_sample_4_rmsd.json +59 -0
- 8so3_Y_Z_X_sample_4_rmsd_backbone.json +59 -0
- 8t04_C_D_A_sample_0_rmsd_backbone.json +59 -0
- 8t9b_C_G_L_sample_0_rmsd.json +59 -0
- 8t9b_C_G_L_sample_2_rmsd.json +59 -0
- 8t9b_C_G_L_sample_3_rmsd.json +59 -0
- 8tfn_H_L_B_sample_0_rmsd_backbone.json +59 -0
- 8tkc_G_H_AB_sample_0_rmsd.json +59 -0
- 8tl3_G_H_AB_sample_4_rmsd_backbone.json +59 -0
- 8tng_H__E_sample_2_rmsd_backbone.json +39 -0
- 8tnj_E_F_A_sample_3_rmsd.json +59 -0
- 8to9_D_F_A_sample_1_rmsd_backbone.json +59 -0
- 8tp7_D_F_A_sample_2_rmsd.json +59 -0
- 8tq9_H_L_AB_sample_2_rmsd_backbone.json +59 -0
- 8tq9_H_L_AB_sample_3_rmsd.json +59 -0
- 8tqi_H_L_B_sample_0_rmsd_backbone.json +59 -0
- 8tr3_H_L_A_sample_4_rmsd_backbone.json +59 -0
- 8txp_H_L_AB_sample_4_rmsd_backbone.json +59 -0
- 8uoa_B__A_sample_3_rmsd.json +39 -0
- 8v7o_H_L_A_sample_2_rmsd.json +59 -0
- 8vqd_C_B_A_sample_1_rmsd.json +59 -0
- 8vsj_H_L_AB_sample_4_rmsd_backbone.json +59 -0
- 8vuh_H_L_A_sample_0_rmsd.json +59 -0
- 8vuj_H_L_A_sample_0_rmsd.json +59 -0
- 8vuj_H_L_A_sample_2_rmsd.json +59 -0
- 8vuj_H_L_A_sample_3_rmsd.json +59 -0
- 8vun_G_I_C_sample_3_rmsd_backbone.json +59 -0
- 8vuy_H_L_A_sample_3_rmsd_backbone.json +59 -0
- 8vvh_H_L_A_sample_3_rmsd.json +59 -0
- 8w0v_H_L_C_sample_4_rmsd_backbone.json +59 -0
- 8w0w_H_L_C_sample_0_rmsd_backbone.json +59 -0
- 8w85_A_B_CD_sample_3_rmsd_backbone.json +59 -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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"gt_coverage": 1.0,
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"full_coverage": false
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"heavy_chain": {
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"chain_id": "D",
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"cdr1_fw_aligned": 1.4490649700164795,
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"cdr2_fw_aligned": 1.0552928447723389,
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"cdr3_fw_aligned": 0.7984267473220825,
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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": 1.4422379732131958,
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"cdr": 1.610164761543274,
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"framework": 1.2423655986785889,
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"cdr_fw_aligned": 2.547733783721924,
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"cdr1": 1.336218237876892,
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"cdr2": 0.893281877040863,
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"cdr3": 1.2887128591537476,
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"cdr1_fw_aligned": 2.751967668533325,
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"cdr3_fw_aligned": 2.7437984943389893,
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"num_residues": 218,
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"num_cdr_residues": 31
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"heavy_chain_atom_counts": {
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"num_pred_atoms": 916,
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}
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8e1m_H_L_C_sample_1_rmsd.json
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{
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"entry": "8e1m_H_L_C_sample_1",
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"success": true,
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"error": null,
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"rmsd": {
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"num_pred_atoms": 3527,
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| 13 |
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"alignment_coverage": {
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"pred_coverage": 0.4570456478593706,
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| 16 |
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"gt_coverage": 0.9275028768699655,
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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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| 58 |
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}
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| 59 |
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}
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8euq_C_D_AB_sample_1_rmsd_backbone.json
ADDED
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{
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"entry": "8euq_C_D_AB_sample_1",
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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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"rmsd": {
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| 13 |
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| 14 |
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"alignment_coverage": {
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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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| 34 |
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| 35 |
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| 48 |
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| 49 |
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"heavy_chain_atom_counts": {
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| 52 |
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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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8q7o_A__C_sample_4_rmsd_backbone.json
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{
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"entry": "8q7o_A__C_sample_4",
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| 3 |
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"success": true,
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| 4 |
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"error": null,
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| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.4355204105377197,
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| 7 |
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"cdr": 4.163740634918213,
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| 8 |
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"framework": 0.7703271508216858,
|
| 9 |
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"cdr_fw_aligned": 5.709895610809326
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| 10 |
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},
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| 11 |
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"num_pred_atoms": 496,
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| 12 |
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"num_gt_atoms": 480,
|
| 13 |
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"num_aligned_atoms": 480,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.967741935483871,
|
| 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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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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"framework": 0.7703271508216858,
|
| 24 |
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"cdr_fw_aligned": 5.709895610809326,
|
| 25 |
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"cdr1": 2.2255139350891113,
|
| 26 |
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"cdr2": 0.2487480640411377,
|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 3.004467487335205,
|
| 29 |
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"cdr2_fw_aligned": 1.0234036445617676,
|
| 30 |
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"cdr3_fw_aligned": 7.870786666870117,
|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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"num_aligned_atoms": 480
|
| 38 |
+
}
|
| 39 |
+
}
|
8qot_B__A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qot_B__A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.4177720546722412,
|
| 7 |
+
"cdr": 2.257422685623169,
|
| 8 |
+
"framework": 0.8613619804382324,
|
| 9 |
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"cdr_fw_aligned": 2.824002742767334
|
| 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": 1.4177720546722412,
|
| 22 |
+
"cdr": 2.257422685623169,
|
| 23 |
+
"framework": 0.8613619804382324,
|
| 24 |
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"cdr_fw_aligned": 2.824002742767334,
|
| 25 |
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"cdr1": 2.0135228633880615,
|
| 26 |
+
"cdr2": 0.17709983885288239,
|
| 27 |
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"cdr3": 1.497713327407837,
|
| 28 |
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"cdr1_fw_aligned": 2.4190673828125,
|
| 29 |
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"cdr2_fw_aligned": 1.2024630308151245,
|
| 30 |
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"cdr3_fw_aligned": 3.3379833698272705,
|
| 31 |
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"num_residues": 125,
|
| 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 |
+
}
|
8r40_A_a_C_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": "8r40_A_a_C_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": 11.885290145874023,
|
| 7 |
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|
| 8 |
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"framework": 10.507593631744385,
|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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"num_gt_atoms": 3632,
|
| 13 |
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"num_aligned_atoms": 3328,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.8917470525187567,
|
| 16 |
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|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "A",
|
| 21 |
+
"total": 11.885290145874023,
|
| 22 |
+
"cdr": 5.253235340118408,
|
| 23 |
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"framework": 10.635321617126465,
|
| 24 |
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"cdr_fw_aligned": 21.970630645751953,
|
| 25 |
+
"cdr1": 2.823296070098877,
|
| 26 |
+
"cdr2": 0.44468632340431213,
|
| 27 |
+
"cdr3": 4.25701904296875,
|
| 28 |
+
"cdr1_fw_aligned": 16.23143196105957,
|
| 29 |
+
"cdr2_fw_aligned": 15.360669136047363,
|
| 30 |
+
"cdr3_fw_aligned": 25.27381134033203,
|
| 31 |
+
"num_residues": 242,
|
| 32 |
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"num_cdr_residues": 31
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "A",
|
| 36 |
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"total": 11.885290145874023,
|
| 37 |
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"cdr": 5.4180378913879395,
|
| 38 |
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"framework": 10.379865646362305,
|
| 39 |
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"cdr_fw_aligned": 22.96220588684082,
|
| 40 |
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|
| 41 |
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"cdr2": 0.4438897967338562,
|
| 42 |
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"cdr3": 3.157439708709717,
|
| 43 |
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"cdr1_fw_aligned": 20.44097137451172,
|
| 44 |
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"cdr2_fw_aligned": 23.829010009765625,
|
| 45 |
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"cdr3_fw_aligned": 25.041275024414062,
|
| 46 |
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|
| 47 |
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"num_cdr_residues": 33
|
| 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": 1664
|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 1664
|
| 58 |
+
}
|
| 59 |
+
}
|
8r4b_B__A_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
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|
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|
|
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|
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|
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|
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|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r4b_B__A_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.5351510047912598,
|
| 7 |
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"cdr": 3.424870252609253,
|
| 8 |
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"framework": 1.4586784839630127,
|
| 9 |
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"cdr_fw_aligned": 4.5587639808654785
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 548,
|
| 12 |
+
"num_gt_atoms": 428,
|
| 13 |
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"num_aligned_atoms": 428,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.781021897810219,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
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"total": 2.5351510047912598,
|
| 22 |
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"cdr": 3.424870252609253,
|
| 23 |
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"framework": 1.4586784839630127,
|
| 24 |
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"cdr_fw_aligned": 4.5587639808654785,
|
| 25 |
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"cdr1": 0.9906976819038391,
|
| 26 |
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"cdr2": 1.4474490880966187,
|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 3.0043370723724365,
|
| 29 |
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"cdr2_fw_aligned": 6.943061828613281,
|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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"num_pred_atoms": 548,
|
| 36 |
+
"num_gt_atoms": 428,
|
| 37 |
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"num_aligned_atoms": 428
|
| 38 |
+
}
|
| 39 |
+
}
|
8rek_H_L_A_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
|
|
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|
|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
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|
|
|
|
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|
|
|
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|
|
|
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|
|
|
|
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|
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|
|
| 1 |
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{
|
| 2 |
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"entry": "8rek_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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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9676674364896074,
|
| 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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"num_residues": 209,
|
| 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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"framework": 0.7247174978256226,
|
| 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 |
+
}
|
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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|
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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 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.8152107000350952,
|
| 7 |
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"cdr": 2.1663374304771423,
|
| 8 |
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"framework": 1.4743594825267792,
|
| 9 |
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"cdr_fw_aligned": 2.665927231311798
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 1728,
|
| 12 |
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"num_gt_atoms": 884,
|
| 13 |
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"num_aligned_atoms": 884,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.5115740740740741,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
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"total": 1.6850732564926147,
|
| 22 |
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"cdr": 2.898639440536499,
|
| 23 |
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| 24 |
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|
| 25 |
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| 26 |
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| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
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|
| 37 |
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|
| 38 |
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| 39 |
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| 40 |
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| 41 |
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| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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"num_gt_atoms": 468,
|
| 52 |
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"num_aligned_atoms": 468
|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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}
|
| 59 |
+
}
|
8s0l_B__A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
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|
|
|
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|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8s0l_B__A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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"num_gt_atoms": 520,
|
| 13 |
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"num_aligned_atoms": 520,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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"total": 3.1004245281219482,
|
| 22 |
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"cdr": 4.586928844451904,
|
| 23 |
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"framework": 1.3618016242980957,
|
| 24 |
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"cdr_fw_aligned": 6.661576271057129,
|
| 25 |
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"cdr1": 0.5485374927520752,
|
| 26 |
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"cdr2": 0.20805968344211578,
|
| 27 |
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|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 0.44853729009628296,
|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 32
|
| 33 |
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|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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"num_pred_atoms": 600,
|
| 36 |
+
"num_gt_atoms": 520,
|
| 37 |
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"num_aligned_atoms": 520
|
| 38 |
+
}
|
| 39 |
+
}
|
8s0l_B__A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8s0l_B__A_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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"cdr_fw_aligned": 6.7731547355651855
|
| 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": 0.8547328959700093,
|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 1.432640552520752,
|
| 29 |
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"cdr2_fw_aligned": 0.550652265548706,
|
| 30 |
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|
| 31 |
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"num_residues": 130,
|
| 32 |
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"num_cdr_residues": 32
|
| 33 |
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},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
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|
| 37 |
+
"num_aligned_atoms": 912
|
| 38 |
+
}
|
| 39 |
+
}
|
8s5w_B__A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
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|
|
|
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|
|
|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8s5w_B__A_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
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| 19 |
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| 20 |
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|
| 21 |
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|
| 22 |
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| 23 |
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| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
+
}
|
| 39 |
+
}
|
8s5w_B__A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
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|
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|
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|
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|
|
|
|
|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8s5w_B__A_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 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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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
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|
| 37 |
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"num_aligned_atoms": 488
|
| 38 |
+
}
|
| 39 |
+
}
|
8scx_H_L_C_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
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|
|
|
|
|
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|
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|
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|
|
|
|
|
|
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|
|
|
|
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|
|
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|
|
|
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|
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|
|
|
|
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|
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|
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|
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|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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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": "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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"total": 1.127430498600006,
|
| 7 |
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"cdr": 0.7009231150150299,
|
| 8 |
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"framework": 1.1797052025794983,
|
| 9 |
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"cdr_fw_aligned": 0.9138768315315247
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 3527,
|
| 12 |
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"num_gt_atoms": 1738,
|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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"gt_coverage": 0.9275028768699655,
|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 0.5218469500541687,
|
| 29 |
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|
| 30 |
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|
| 31 |
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"num_residues": 117,
|
| 32 |
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"num_cdr_residues": 21
|
| 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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"total": 1.0379359722137451,
|
| 37 |
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"cdr": 0.6429210305213928,
|
| 38 |
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"framework": 1.1074402332305908,
|
| 39 |
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"cdr_fw_aligned": 0.7989374399185181,
|
| 40 |
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"cdr1": 0.7251649498939514,
|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 769
|
| 58 |
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}
|
| 59 |
+
}
|
8sfx_D__B_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sfx_D__B_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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"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": 841
|
| 38 |
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}
|
| 39 |
+
}
|
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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"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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"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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},
|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
+
}
|
| 59 |
+
}
|
8smm_H_L_A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
|
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|
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|
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|
|
|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8smm_H_L_A_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": 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 |
+
}
|
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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|
|
|
|
|
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|
|
|
|
|
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|
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|
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|
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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": "8smp_H_L_A_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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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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"total": 1.3051477670669556,
|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 424
|
| 58 |
+
}
|
| 59 |
+
}
|
8so3_Y_Z_X_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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|
|
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|
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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": "8so3_Y_Z_X_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 9.198366165161133,
|
| 7 |
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"cdr": 1.2119912803173065,
|
| 8 |
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"framework": 8.878997564315796,
|
| 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": 0.8298983237153064,
|
| 16 |
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"gt_coverage": 0.9608654152083996,
|
| 17 |
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| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 8.224052429199219,
|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
+
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|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "Z",
|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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"cdr_fw_aligned": 14.306198120117188,
|
| 40 |
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|
| 41 |
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|
| 42 |
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"cdr3": 0.9316796660423279,
|
| 43 |
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"cdr1_fw_aligned": 14.83167839050293,
|
| 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": 1519
|
| 58 |
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}
|
| 59 |
+
}
|
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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 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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"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 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.875,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "Y",
|
| 21 |
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"total": 8.02325439453125,
|
| 22 |
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"cdr": 1.140855312347412,
|
| 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": 10.722065925598145,
|
| 29 |
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"cdr2_fw_aligned": 8.195954322814941,
|
| 30 |
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|
| 31 |
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"num_residues": 213,
|
| 32 |
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"num_cdr_residues": 23
|
| 33 |
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},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "Z",
|
| 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": 0.848944902420044,
|
| 43 |
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"cdr1_fw_aligned": 14.359810829162598,
|
| 44 |
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"cdr2_fw_aligned": 9.988197326660156,
|
| 45 |
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"cdr3_fw_aligned": 15.952628135681152,
|
| 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": 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 |
+
}
|
8t04_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8t04_C_D_A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.111028015613556,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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"num_aligned_atoms": 908,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 1.0,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "C",
|
| 21 |
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"total": 1.495095133781433,
|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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"num_residues": 120,
|
| 32 |
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"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
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"chain_id": "D",
|
| 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 |
+
}
|
8t9b_C_G_L_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8t9b_C_G_L_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"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": 1497
|
| 58 |
+
}
|
| 59 |
+
}
|
8t9b_C_G_L_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8t9b_C_G_L_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.65739643573761,
|
| 7 |
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"cdr": 3.6184301376342773,
|
| 8 |
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"framework": 2.304810643196106,
|
| 9 |
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"cdr_fw_aligned": 4.943125486373901
|
| 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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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 3.3212039470672607,
|
| 30 |
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"cdr3_fw_aligned": 5.82457160949707,
|
| 31 |
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"num_residues": 230,
|
| 32 |
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"num_cdr_residues": 33
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "G",
|
| 36 |
+
"total": 2.6903316974639893,
|
| 37 |
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"cdr": 3.815788745880127,
|
| 38 |
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"framework": 2.38279128074646,
|
| 39 |
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"cdr_fw_aligned": 4.851362228393555,
|
| 40 |
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"cdr1": 2.4343276023864746,
|
| 41 |
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"cdr2": 2.8149640560150146,
|
| 42 |
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"cdr3": 2.084218740463257,
|
| 43 |
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"cdr1_fw_aligned": 4.531737804412842,
|
| 44 |
+
"cdr2_fw_aligned": 5.1737847328186035,
|
| 45 |
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"cdr3_fw_aligned": 4.931295394897461,
|
| 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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"num_pred_atoms": 1702,
|
| 51 |
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"num_gt_atoms": 1707,
|
| 52 |
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"num_aligned_atoms": 1606
|
| 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": 1546,
|
| 57 |
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"num_aligned_atoms": 1497
|
| 58 |
+
}
|
| 59 |
+
}
|
8t9b_C_G_L_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
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|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8t9b_C_G_L_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.71780002117157,
|
| 7 |
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|
| 8 |
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"framework": 2.3617981672286987,
|
| 9 |
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"cdr_fw_aligned": 5.018541574478149
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 3298,
|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9408732565191025,
|
| 16 |
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"gt_coverage": 0.9538887181063633,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
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"total": 2.6561505794525146,
|
| 22 |
+
"cdr": 3.6092329025268555,
|
| 23 |
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"framework": 2.2363853454589844,
|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
+
"cdr1_fw_aligned": 3.7698843479156494,
|
| 29 |
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"cdr2_fw_aligned": 3.590240716934204,
|
| 30 |
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"cdr3_fw_aligned": 5.828938007354736,
|
| 31 |
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"num_residues": 230,
|
| 32 |
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"num_cdr_residues": 33
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "G",
|
| 36 |
+
"total": 2.779449462890625,
|
| 37 |
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"cdr": 3.6643126010894775,
|
| 38 |
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"framework": 2.487210988998413,
|
| 39 |
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"cdr_fw_aligned": 4.9226155281066895,
|
| 40 |
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"cdr1": 2.4382388591766357,
|
| 41 |
+
"cdr2": 2.8139829635620117,
|
| 42 |
+
"cdr3": 1.6778852939605713,
|
| 43 |
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"cdr1_fw_aligned": 4.745412349700928,
|
| 44 |
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"cdr2_fw_aligned": 4.871927738189697,
|
| 45 |
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"cdr3_fw_aligned": 5.115993022918701,
|
| 46 |
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"num_residues": 210,
|
| 47 |
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"num_cdr_residues": 29
|
| 48 |
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},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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"num_gt_atoms": 1707,
|
| 52 |
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"num_aligned_atoms": 1606
|
| 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": 1546,
|
| 57 |
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"num_aligned_atoms": 1497
|
| 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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tfn_H_L_B_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.3365925550460815,
|
| 7 |
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"cdr": 1.386467307806015,
|
| 8 |
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"framework": 2.219136357307434,
|
| 9 |
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"cdr_fw_aligned": 3.362115740776062
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 1756,
|
| 12 |
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"num_gt_atoms": 1584,
|
| 13 |
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"num_aligned_atoms": 1584,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9020501138952164,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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"total": 2.496854066848755,
|
| 22 |
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"cdr": 2.2300865650177,
|
| 23 |
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"framework": 2.345005989074707,
|
| 24 |
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"cdr_fw_aligned": 3.604120969772339,
|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 3.777954578399658,
|
| 29 |
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"cdr2_fw_aligned": 2.6379590034484863,
|
| 30 |
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|
| 31 |
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"num_residues": 197,
|
| 32 |
+
"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
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"total": 2.176331043243408,
|
| 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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"cdr1_fw_aligned": 3.217050313949585,
|
| 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": 788
|
| 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": 796
|
| 58 |
+
}
|
| 59 |
+
}
|
8tkc_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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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8tkc_G_H_AB_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.4600051045417786,
|
| 7 |
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"cdr": 2.7735526263713837,
|
| 8 |
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"framework": 1.156031310558319,
|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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"total": 3.894909381866455,
|
| 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": "H",
|
| 36 |
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"total": 1.025100827217102,
|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
+
}
|
| 59 |
+
}
|
8tl3_G_H_AB_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tl3_G_H_AB_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.258373409509659,
|
| 7 |
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"cdr": 2.537078380584717,
|
| 8 |
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"framework": 0.6957779675722122,
|
| 9 |
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"cdr_fw_aligned": 4.528513073921204
|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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"num_aligned_atoms": 944,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.5232815964523282,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "G",
|
| 21 |
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"total": 3.592599630355835,
|
| 22 |
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"cdr": 4.337487697601318,
|
| 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": 0.6970145106315613,
|
| 30 |
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"cdr3_fw_aligned": 10.966365814208984,
|
| 31 |
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"num_residues": 126,
|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "H",
|
| 36 |
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"total": 0.9241471886634827,
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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": 0.40753647685050964,
|
| 43 |
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|
| 44 |
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"cdr2_fw_aligned": 0.9964663982391357,
|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
+
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|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 948,
|
| 51 |
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"num_gt_atoms": 504,
|
| 52 |
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"num_aligned_atoms": 504
|
| 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": 440,
|
| 57 |
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"num_aligned_atoms": 440
|
| 58 |
+
}
|
| 59 |
+
}
|
8tng_H__E_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
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|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tng_H__E_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 3.3519532680511475,
|
| 7 |
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"cdr": 4.5260467529296875,
|
| 8 |
+
"framework": 1.1654726266860962,
|
| 9 |
+
"cdr_fw_aligned": 7.463356018066406
|
| 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": 3.3519532680511475,
|
| 22 |
+
"cdr": 4.5260467529296875,
|
| 23 |
+
"framework": 1.1654726266860962,
|
| 24 |
+
"cdr_fw_aligned": 7.463356018066406,
|
| 25 |
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"cdr1": 2.165069103240967,
|
| 26 |
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"cdr2": 0.991390585899353,
|
| 27 |
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"cdr3": 3.598858118057251,
|
| 28 |
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"cdr1_fw_aligned": 3.2211952209472656,
|
| 29 |
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"cdr2_fw_aligned": 2.1669490337371826,
|
| 30 |
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"cdr3_fw_aligned": 9.510802268981934,
|
| 31 |
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|
| 32 |
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"num_cdr_residues": 26
|
| 33 |
+
},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 484,
|
| 36 |
+
"num_gt_atoms": 484,
|
| 37 |
+
"num_aligned_atoms": 484
|
| 38 |
+
}
|
| 39 |
+
}
|
8tnj_E_F_A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
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|
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|
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|
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|
|
|
|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8tnj_E_F_A_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.886819839477539,
|
| 7 |
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|
| 8 |
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"framework": 1.0796432495117188,
|
| 9 |
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"cdr_fw_aligned": 3.6326798796653748
|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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"pred_coverage": 0.493815987933635,
|
| 16 |
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"gt_coverage": 0.9170868347338935,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "E",
|
| 21 |
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"total": 2.7539074420928955,
|
| 22 |
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"cdr": 5.006068229675293,
|
| 23 |
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"framework": 1.08673894405365,
|
| 24 |
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"cdr_fw_aligned": 6.4834771156311035,
|
| 25 |
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"cdr1": 0.5428292155265808,
|
| 26 |
+
"cdr2": 0.34214356541633606,
|
| 27 |
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"cdr3": 4.007794380187988,
|
| 28 |
+
"cdr1_fw_aligned": 1.0250111818313599,
|
| 29 |
+
"cdr2_fw_aligned": 0.5990417003631592,
|
| 30 |
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"cdr3_fw_aligned": 8.39818000793457,
|
| 31 |
+
"num_residues": 126,
|
| 32 |
+
"num_cdr_residues": 31
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "F",
|
| 36 |
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"total": 1.0197322368621826,
|
| 37 |
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"cdr": 0.66105717420578,
|
| 38 |
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"framework": 1.0725475549697876,
|
| 39 |
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"cdr_fw_aligned": 0.781882643699646,
|
| 40 |
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"cdr1": 0.8138031959533691,
|
| 41 |
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"cdr2": 0.3580887019634247,
|
| 42 |
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"cdr3": 0.5455746054649353,
|
| 43 |
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"cdr1_fw_aligned": 0.8480026721954346,
|
| 44 |
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|
| 45 |
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|
| 46 |
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"num_residues": 107,
|
| 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": 879
|
| 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": 818,
|
| 57 |
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"num_aligned_atoms": 758
|
| 58 |
+
}
|
| 59 |
+
}
|
8to9_D_F_A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
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|
|
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|
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|
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|
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|
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|
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|
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|
|
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|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
+
"entry": "8to9_D_F_A_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.5142505168914795,
|
| 7 |
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|
| 8 |
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"framework": 0.9967868030071259,
|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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"num_gt_atoms": 932,
|
| 13 |
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"num_aligned_atoms": 932,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 1.0,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "D",
|
| 21 |
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"total": 2.058556079864502,
|
| 22 |
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"cdr": 3.3577065467834473,
|
| 23 |
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"framework": 1.016640305519104,
|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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"num_residues": 126,
|
| 32 |
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"num_cdr_residues": 30
|
| 33 |
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},
|
| 34 |
+
"light_chain": {
|
| 35 |
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"chain_id": "F",
|
| 36 |
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"total": 0.969944953918457,
|
| 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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"num_gt_atoms": 428,
|
| 57 |
+
"num_aligned_atoms": 428
|
| 58 |
+
}
|
| 59 |
+
}
|
8tp7_D_F_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tp7_D_F_A_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.5997315645217896,
|
| 7 |
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"cdr": 2.7820990085601807,
|
| 8 |
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"framework": 0.899724006652832,
|
| 9 |
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|
| 10 |
+
},
|
| 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": 0.9758890898131405,
|
| 16 |
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"gt_coverage": 0.9136568848758465,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "D",
|
| 21 |
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"total": 1.897322177886963,
|
| 22 |
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"cdr": 3.689872980117798,
|
| 23 |
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"framework": 0.9309314489364624,
|
| 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 |
+
"num_cdr_residues": 30
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "F",
|
| 36 |
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"total": 1.3021409511566162,
|
| 37 |
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|
| 38 |
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"framework": 0.8685165643692017,
|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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"cdr3": 1.2873929738998413,
|
| 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 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 893
|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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"num_gt_atoms": 789,
|
| 57 |
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"num_aligned_atoms": 726
|
| 58 |
+
}
|
| 59 |
+
}
|
8tq9_H_L_AB_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tq9_H_L_AB_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9953703703703703,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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"total": 1.1450294256210327,
|
| 22 |
+
"cdr": 1.469783067703247,
|
| 23 |
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|
| 24 |
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"cdr_fw_aligned": 2.139730453491211,
|
| 25 |
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|
| 26 |
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|
| 27 |
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"cdr3": 1.6169942617416382,
|
| 28 |
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"cdr1_fw_aligned": 0.8918055891990662,
|
| 29 |
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"cdr2_fw_aligned": 1.2862350940704346,
|
| 30 |
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|
| 31 |
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"num_residues": 218,
|
| 32 |
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"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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|
| 37 |
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|
| 38 |
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"framework": 0.9020487070083618,
|
| 39 |
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"cdr_fw_aligned": 1.8818073272705078,
|
| 40 |
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"cdr1": 0.35181161761283875,
|
| 41 |
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"cdr2": 0.8896929025650024,
|
| 42 |
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"cdr3": 1.9782426357269287,
|
| 43 |
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"cdr1_fw_aligned": 0.8631883859634399,
|
| 44 |
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"cdr2_fw_aligned": 1.7647109031677246,
|
| 45 |
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"cdr3_fw_aligned": 2.700140953063965,
|
| 46 |
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|
| 47 |
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|
| 48 |
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},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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"num_gt_atoms": 872,
|
| 52 |
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"num_aligned_atoms": 872
|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 848
|
| 58 |
+
}
|
| 59 |
+
}
|
8tq9_H_L_AB_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tq9_H_L_AB_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 3.5241373777389526,
|
| 7 |
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|
| 8 |
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"framework": 3.3046271800994873,
|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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"gt_coverage": 0.9591020910209103,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"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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"cdr2": 1.2288033962249756,
|
| 42 |
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|
| 43 |
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"cdr1_fw_aligned": 5.420300006866455,
|
| 44 |
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"cdr2_fw_aligned": 5.522871494293213,
|
| 45 |
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|
| 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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|
| 53 |
+
},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 1631,
|
| 57 |
+
"num_aligned_atoms": 1576
|
| 58 |
+
}
|
| 59 |
+
}
|
8tqi_H_L_B_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tqi_H_L_B_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
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"total": 0.762683242559433,
|
| 7 |
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|
| 8 |
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"framework": 0.5818851292133331,
|
| 9 |
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|
| 10 |
+
},
|
| 11 |
+
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|
| 12 |
+
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|
| 13 |
+
"num_aligned_atoms": 924,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
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"total": 0.8395983576774597,
|
| 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 |
+
"num_residues": 120,
|
| 32 |
+
"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
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"total": 0.6857681274414062,
|
| 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": 0.4763963520526886,
|
| 43 |
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"cdr1_fw_aligned": 0.708626925945282,
|
| 44 |
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"cdr2_fw_aligned": 0.8351714611053467,
|
| 45 |
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|
| 46 |
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"num_residues": 111,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 892,
|
| 51 |
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"num_gt_atoms": 480,
|
| 52 |
+
"num_aligned_atoms": 480
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 856,
|
| 56 |
+
"num_gt_atoms": 444,
|
| 57 |
+
"num_aligned_atoms": 444
|
| 58 |
+
}
|
| 59 |
+
}
|
8tr3_H_L_A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tr3_H_L_A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.4372110962867737,
|
| 7 |
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"cdr": 2.137889266014099,
|
| 8 |
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"framework": 0.8434081673622131,
|
| 9 |
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"cdr_fw_aligned": 2.6744388341903687
|
| 10 |
+
},
|
| 11 |
+
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|
| 12 |
+
"num_gt_atoms": 928,
|
| 13 |
+
"num_aligned_atoms": 928,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9957081545064378,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.564054250717163,
|
| 22 |
+
"cdr": 2.811192750930786,
|
| 23 |
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"framework": 0.6470911502838135,
|
| 24 |
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"cdr_fw_aligned": 3.3254623413085938,
|
| 25 |
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"cdr1": 0.514093816280365,
|
| 26 |
+
"cdr2": 0.43585529923439026,
|
| 27 |
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"cdr3": 2.497379779815674,
|
| 28 |
+
"cdr1_fw_aligned": 0.9074816107749939,
|
| 29 |
+
"cdr2_fw_aligned": 0.8901906609535217,
|
| 30 |
+
"cdr3_fw_aligned": 4.465607166290283,
|
| 31 |
+
"num_residues": 124,
|
| 32 |
+
"num_cdr_residues": 28
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 1.3103679418563843,
|
| 37 |
+
"cdr": 1.464585781097412,
|
| 38 |
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"framework": 1.0397251844406128,
|
| 39 |
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"cdr_fw_aligned": 2.0234153270721436,
|
| 40 |
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"cdr1": 0.41829317808151245,
|
| 41 |
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"cdr2": 1.7246363162994385,
|
| 42 |
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"cdr3": 0.9426727294921875,
|
| 43 |
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"cdr1_fw_aligned": 0.8084891438484192,
|
| 44 |
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"cdr2_fw_aligned": 3.490705728530884,
|
| 45 |
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"cdr3_fw_aligned": 1.4164882898330688,
|
| 46 |
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"num_residues": 108,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 496,
|
| 51 |
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"num_gt_atoms": 496,
|
| 52 |
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"num_aligned_atoms": 496
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 436,
|
| 56 |
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"num_gt_atoms": 432,
|
| 57 |
+
"num_aligned_atoms": 432
|
| 58 |
+
}
|
| 59 |
+
}
|
8txp_H_L_AB_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
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|
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|
|
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|
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|
|
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|
|
|
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|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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| 3 |
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|
| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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| 10 |
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| 11 |
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| 12 |
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|
| 13 |
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| 14 |
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|
| 15 |
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| 16 |
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|
| 17 |
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|
| 18 |
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| 19 |
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|
| 20 |
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| 21 |
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| 22 |
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| 23 |
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| 24 |
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| 25 |
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| 26 |
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| 27 |
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| 28 |
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| 29 |
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| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 41 |
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| 42 |
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| 43 |
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| 44 |
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| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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| 50 |
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|
| 51 |
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|
| 52 |
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| 53 |
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|
| 54 |
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| 55 |
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| 56 |
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|
| 57 |
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"num_aligned_atoms": 852
|
| 58 |
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|
| 59 |
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|
8uoa_B__A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
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|
|
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|
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|
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|
|
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|
|
|
|
|
|
|
|
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|
|
|
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|
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|
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|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8uoa_B__A_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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|
| 22 |
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|
| 23 |
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"framework": 1.6549831628799438,
|
| 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": 587,
|
| 37 |
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"num_aligned_atoms": 586
|
| 38 |
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}
|
| 39 |
+
}
|
8v7o_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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|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8v7o_H_L_A_sample_2",
|
| 3 |
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|
| 4 |
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|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 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": 731
|
| 58 |
+
}
|
| 59 |
+
}
|
8vqd_C_B_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8vqd_C_B_A_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.72397780418396,
|
| 7 |
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| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
+
}
|
| 59 |
+
}
|
8vsj_H_L_AB_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
|
|
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|
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|
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|
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|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8vsj_H_L_AB_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.4776838421821594,
|
| 7 |
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"cdr": 2.4765247106552124,
|
| 8 |
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"framework": 0.6560847163200378,
|
| 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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|
| 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": 0.9025508165359497,
|
| 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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|
8vuh_H_L_A_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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| 27 |
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| 28 |
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| 29 |
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| 30 |
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| 31 |
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| 32 |
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|
| 33 |
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| 34 |
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|
| 35 |
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| 36 |
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| 37 |
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| 38 |
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| 40 |
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| 41 |
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| 42 |
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| 48 |
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| 49 |
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| 51 |
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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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|
8vuj_H_L_A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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|
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|
| 1 |
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{
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| 2 |
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| 3 |
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| 12 |
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| 13 |
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| 18 |
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| 19 |
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| 21 |
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| 33 |
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|
| 58 |
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|
| 59 |
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|
8vuj_H_L_A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
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|
|
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|
| 1 |
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{
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| 48 |
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|
| 58 |
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|
| 59 |
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|
8vuj_H_L_A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
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|
|
|
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|
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|
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|
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|
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|
|
|
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|
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|
|
| 1 |
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{
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| 2 |
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| 3 |
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|
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|
| 13 |
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|
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|
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| 17 |
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|
| 18 |
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| 19 |
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|
| 33 |
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|
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|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 866,
|
| 51 |
+
"num_gt_atoms": 867,
|
| 52 |
+
"num_aligned_atoms": 823
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 772,
|
| 56 |
+
"num_gt_atoms": 792,
|
| 57 |
+
"num_aligned_atoms": 735
|
| 58 |
+
}
|
| 59 |
+
}
|
8vun_G_I_C_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8vun_G_I_C_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 4.043713808059692,
|
| 7 |
+
"cdr": 1.7314005494117737,
|
| 8 |
+
"framework": 3.8529552221298218,
|
| 9 |
+
"cdr_fw_aligned": 6.000392198562622
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 1716,
|
| 12 |
+
"num_gt_atoms": 1716,
|
| 13 |
+
"num_aligned_atoms": 1716,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 1.0,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "G",
|
| 21 |
+
"total": 3.8483362197875977,
|
| 22 |
+
"cdr": 2.2227845191955566,
|
| 23 |
+
"framework": 3.6897947788238525,
|
| 24 |
+
"cdr_fw_aligned": 5.627921104431152,
|
| 25 |
+
"cdr1": 0.8073000311851501,
|
| 26 |
+
"cdr2": 1.1366850137710571,
|
| 27 |
+
"cdr3": 1.9142049551010132,
|
| 28 |
+
"cdr1_fw_aligned": 5.928362846374512,
|
| 29 |
+
"cdr2_fw_aligned": 5.622251987457275,
|
| 30 |
+
"cdr3_fw_aligned": 5.462011337280273,
|
| 31 |
+
"num_residues": 220,
|
| 32 |
+
"num_cdr_residues": 26
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "I",
|
| 36 |
+
"total": 4.239091396331787,
|
| 37 |
+
"cdr": 1.2400165796279907,
|
| 38 |
+
"framework": 4.016115665435791,
|
| 39 |
+
"cdr_fw_aligned": 6.372863292694092,
|
| 40 |
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"cdr1": 1.0975615978240967,
|
| 41 |
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"cdr2": 0.8449362516403198,
|
| 42 |
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"cdr3": 1.1568800210952759,
|
| 43 |
+
"cdr1_fw_aligned": 7.3041534423828125,
|
| 44 |
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"cdr2_fw_aligned": 5.060467720031738,
|
| 45 |
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"cdr3_fw_aligned": 5.338850021362305,
|
| 46 |
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"num_residues": 209,
|
| 47 |
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"num_cdr_residues": 25
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 880,
|
| 51 |
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"num_gt_atoms": 880,
|
| 52 |
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"num_aligned_atoms": 880
|
| 53 |
+
},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 836,
|
| 57 |
+
"num_aligned_atoms": 836
|
| 58 |
+
}
|
| 59 |
+
}
|
8vuy_H_L_A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8vuy_H_L_A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.2566025853157043,
|
| 7 |
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"cdr": 1.498294711112976,
|
| 8 |
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"framework": 1.0864464938640594,
|
| 9 |
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"cdr_fw_aligned": 1.715703010559082
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 892,
|
| 12 |
+
"num_gt_atoms": 892,
|
| 13 |
+
"num_aligned_atoms": 892,
|
| 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": 1.2882983684539795,
|
| 22 |
+
"cdr": 1.5224186182022095,
|
| 23 |
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"framework": 1.1992101669311523,
|
| 24 |
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"cdr_fw_aligned": 1.6126433610916138,
|
| 25 |
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"cdr1": 1.286630630493164,
|
| 26 |
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"cdr2": 0.4325598180294037,
|
| 27 |
+
"cdr3": 1.5122050046920776,
|
| 28 |
+
"cdr1_fw_aligned": 1.6525877714157104,
|
| 29 |
+
"cdr2_fw_aligned": 0.8721716403961182,
|
| 30 |
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"cdr3_fw_aligned": 1.828137755393982,
|
| 31 |
+
"num_residues": 115,
|
| 32 |
+
"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 1.2249068021774292,
|
| 37 |
+
"cdr": 1.4741708040237427,
|
| 38 |
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"framework": 0.9736828207969666,
|
| 39 |
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"cdr_fw_aligned": 1.8187626600265503,
|
| 40 |
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"cdr1": 1.3745750188827515,
|
| 41 |
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"cdr2": 0.46980974078178406,
|
| 42 |
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"cdr3": 1.0101872682571411,
|
| 43 |
+
"cdr1_fw_aligned": 2.010291337966919,
|
| 44 |
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"cdr2_fw_aligned": 1.460902214050293,
|
| 45 |
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"cdr3_fw_aligned": 1.778028964996338,
|
| 46 |
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|
| 47 |
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"num_cdr_residues": 29
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 460,
|
| 51 |
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"num_gt_atoms": 460,
|
| 52 |
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"num_aligned_atoms": 460
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 432,
|
| 56 |
+
"num_gt_atoms": 432,
|
| 57 |
+
"num_aligned_atoms": 432
|
| 58 |
+
}
|
| 59 |
+
}
|
8vvh_H_L_A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8vvh_H_L_A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
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"total": 1.5106004476547241,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.8998144712430427,
|
| 16 |
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"gt_coverage": 0.9332905708787684,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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"total": 1.4874769449234009,
|
| 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 |
+
"num_residues": 115,
|
| 32 |
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|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
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|
| 37 |
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|
| 38 |
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"framework": 1.363132357597351,
|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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"num_residues": 108,
|
| 47 |
+
"num_cdr_residues": 29
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 787
|
| 53 |
+
},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
+
"num_gt_atoms": 726,
|
| 57 |
+
"num_aligned_atoms": 668
|
| 58 |
+
}
|
| 59 |
+
}
|
8w0v_H_L_C_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8w0v_H_L_C_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.9304310977458954,
|
| 7 |
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"cdr": 3.663806140422821,
|
| 8 |
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"framework": 0.9931561797857285,
|
| 9 |
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"cdr_fw_aligned": 4.8875057101249695
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 1808,
|
| 12 |
+
"num_gt_atoms": 1748,
|
| 13 |
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"num_aligned_atoms": 1748,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9668141592920354,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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"total": 3.241219997406006,
|
| 22 |
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"cdr": 6.135075569152832,
|
| 23 |
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"framework": 1.5490362644195557,
|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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"cdr3": 4.854885101318359,
|
| 28 |
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"cdr1_fw_aligned": 4.548713684082031,
|
| 29 |
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"cdr2_fw_aligned": 2.477993965148926,
|
| 30 |
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"cdr3_fw_aligned": 10.876673698425293,
|
| 31 |
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"num_residues": 224,
|
| 32 |
+
"num_cdr_residues": 29
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
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"total": 0.6196421980857849,
|
| 37 |
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"cdr": 1.19253671169281,
|
| 38 |
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"framework": 0.43727609515190125,
|
| 39 |
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"cdr_fw_aligned": 1.3171781301498413,
|
| 40 |
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"cdr1": 1.3828068971633911,
|
| 41 |
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"cdr2": 0.18208469450473785,
|
| 42 |
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"cdr3": 0.8204780220985413,
|
| 43 |
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|
| 44 |
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"cdr2_fw_aligned": 0.4549875259399414,
|
| 45 |
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"cdr3_fw_aligned": 1.475950002670288,
|
| 46 |
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"num_residues": 213,
|
| 47 |
+
"num_cdr_residues": 28
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 948,
|
| 51 |
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"num_gt_atoms": 896,
|
| 52 |
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"num_aligned_atoms": 896
|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 860,
|
| 56 |
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"num_gt_atoms": 852,
|
| 57 |
+
"num_aligned_atoms": 852
|
| 58 |
+
}
|
| 59 |
+
}
|
8w0w_H_L_C_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
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| 1 |
+
{
|
| 2 |
+
"entry": "8w0w_H_L_C_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.8830130994319916,
|
| 7 |
+
"cdr": 3.4460783898830414,
|
| 8 |
+
"framework": 0.9994319081306458,
|
| 9 |
+
"cdr_fw_aligned": 4.689457952976227
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1808,
|
| 12 |
+
"num_gt_atoms": 1748,
|
| 13 |
+
"num_aligned_atoms": 1748,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9668141592920354,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 2.9239063262939453,
|
| 22 |
+
"cdr": 6.017506122589111,
|
| 23 |
+
"framework": 1.302799105644226,
|
| 24 |
+
"cdr_fw_aligned": 7.742807388305664,
|
| 25 |
+
"cdr1": 2.73520565032959,
|
| 26 |
+
"cdr2": 0.8892300128936768,
|
| 27 |
+
"cdr3": 5.058477878570557,
|
| 28 |
+
"cdr1_fw_aligned": 4.482258319854736,
|
| 29 |
+
"cdr2_fw_aligned": 1.8521924018859863,
|
| 30 |
+
"cdr3_fw_aligned": 9.92900276184082,
|
| 31 |
+
"num_residues": 224,
|
| 32 |
+
"num_cdr_residues": 29
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 0.8421198725700378,
|
| 37 |
+
"cdr": 0.8746506571769714,
|
| 38 |
+
"framework": 0.6960647106170654,
|
| 39 |
+
"cdr_fw_aligned": 1.6361085176467896,
|
| 40 |
+
"cdr1": 0.7189701795578003,
|
| 41 |
+
"cdr2": 0.22032958269119263,
|
| 42 |
+
"cdr3": 1.010033130645752,
|
| 43 |
+
"cdr1_fw_aligned": 1.5874606370925903,
|
| 44 |
+
"cdr2_fw_aligned": 1.005985140800476,
|
| 45 |
+
"cdr3_fw_aligned": 2.044717788696289,
|
| 46 |
+
"num_residues": 213,
|
| 47 |
+
"num_cdr_residues": 28
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 948,
|
| 51 |
+
"num_gt_atoms": 896,
|
| 52 |
+
"num_aligned_atoms": 896
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 860,
|
| 56 |
+
"num_gt_atoms": 852,
|
| 57 |
+
"num_aligned_atoms": 852
|
| 58 |
+
}
|
| 59 |
+
}
|
8w85_A_B_CD_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8w85_A_B_CD_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 2.954122543334961,
|
| 7 |
+
"cdr": 2.6406279802322388,
|
| 8 |
+
"framework": 2.7530035972595215,
|
| 9 |
+
"cdr_fw_aligned": 4.460761547088623
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1744,
|
| 12 |
+
"num_gt_atoms": 1688,
|
| 13 |
+
"num_aligned_atoms": 1688,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9678899082568807,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "A",
|
| 21 |
+
"total": 3.4979004859924316,
|
| 22 |
+
"cdr": 3.000624656677246,
|
| 23 |
+
"framework": 3.2645034790039062,
|
| 24 |
+
"cdr_fw_aligned": 5.299485683441162,
|
| 25 |
+
"cdr1": 1.301561951637268,
|
| 26 |
+
"cdr2": 1.7105342149734497,
|
| 27 |
+
"cdr3": 3.163933038711548,
|
| 28 |
+
"cdr1_fw_aligned": 5.820248603820801,
|
| 29 |
+
"cdr2_fw_aligned": 4.340436935424805,
|
| 30 |
+
"cdr3_fw_aligned": 5.406256198883057,
|
| 31 |
+
"num_residues": 211,
|
| 32 |
+
"num_cdr_residues": 22
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "B",
|
| 36 |
+
"total": 2.4103446006774902,
|
| 37 |
+
"cdr": 2.2806313037872314,
|
| 38 |
+
"framework": 2.2415037155151367,
|
| 39 |
+
"cdr_fw_aligned": 3.622037410736084,
|
| 40 |
+
"cdr1": 0.37462642788887024,
|
| 41 |
+
"cdr2": 2.1013481616973877,
|
| 42 |
+
"cdr3": 1.50068998336792,
|
| 43 |
+
"cdr1_fw_aligned": 3.6571245193481445,
|
| 44 |
+
"cdr2_fw_aligned": 3.5066537857055664,
|
| 45 |
+
"cdr3_fw_aligned": 3.6725504398345947,
|
| 46 |
+
"num_residues": 211,
|
| 47 |
+
"num_cdr_residues": 26
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 892,
|
| 51 |
+
"num_gt_atoms": 844,
|
| 52 |
+
"num_aligned_atoms": 844
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 852,
|
| 56 |
+
"num_gt_atoms": 844,
|
| 57 |
+
"num_aligned_atoms": 844
|
| 58 |
+
}
|
| 59 |
+
}
|