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- 7xic_K_L_B_sample_4_rmsd.json +59 -0
- 8q7s_F__D_sample_0_rmsd.json +39 -0
- 8q7s_F__D_sample_1_rmsd.json +39 -0
- 8q7s_F__D_sample_2_rmsd.json +39 -0
- 8q7s_F__D_sample_3_rmsd.json +39 -0
- 8qq0_E_D_A_sample_0_rmsd.json +59 -0
- 8qq0_E_D_A_sample_4_rmsd.json +59 -0
- 8qz3_C__B_sample_0_rmsd.json +39 -0
- 8qz3_C__B_sample_1_rmsd.json +39 -0
- 8qz3_C__B_sample_2_rmsd.json +39 -0
- 8qz3_C__B_sample_3_rmsd.json +39 -0
- 8qz3_C__B_sample_4_rmsd.json +39 -0
- 8r4b_B__A_sample_0_rmsd.json +39 -0
- 8r4b_B__A_sample_4_rmsd.json +39 -0
- 8r4d_B__A_sample_0_rmsd.json +39 -0
- 8r9y_H_L_A_sample_2_rmsd.json +59 -0
- 8r9y_H_L_A_sample_4_rmsd.json +59 -0
- 8r9z_H_L_A_sample_0_rmsd.json +59 -0
- 8r9z_H_L_A_sample_4_rmsd.json +59 -0
- 8sgj_H_L_A_sample_1_rmsd.json +59 -0
- 8sne_C__A_sample_0_rmsd.json +39 -0
- 8sne_C__A_sample_1_rmsd.json +39 -0
- 8sne_C__A_sample_2_rmsd.json +39 -0
- 8sne_C__A_sample_3_rmsd.json +39 -0
- 8sne_C__A_sample_4_rmsd.json +39 -0
- 8so3_Y_Z_X_sample_0_rmsd.json +59 -0
- 8t04_C_D_A_sample_1_rmsd.json +59 -0
- 8t06_C_D_A_sample_2_rmsd.json +59 -0
- 8t07_C_D_A_sample_2_rmsd.json +59 -0
- 8tbb_H_L_D_sample_1_rmsd.json +59 -0
- 8too_B_A_I_sample_4_rmsd.json +59 -0
- 8tq7_F_G_C_sample_1_rmsd.json +59 -0
- 8tq7_F_G_C_sample_4_rmsd.json +59 -0
- 8tvj_H_L_E_sample_1_rmsd.json +59 -0
- 8tvj_H_L_E_sample_4_rmsd.json +59 -0
- 8tx3_H_L_CD_sample_0_rmsd.json +59 -0
- 8tx3_H_L_CD_sample_1_rmsd.json +59 -0
- 8tx3_H_L_CD_sample_2_rmsd.json +59 -0
- 8tx3_H_L_CD_sample_3_rmsd.json +59 -0
- 8tx3_H_L_CD_sample_4_rmsd.json +59 -0
- 8u1c_H_L_A_sample_1_rmsd.json +59 -0
- 8u1q_H_L_A_sample_1_rmsd.json +59 -0
- 8u1q_H_L_A_sample_4_rmsd.json +59 -0
- 8udz_C_D_B_sample_1_rmsd.json +59 -0
- 8ukh_H_L_A_sample_0_rmsd.json +59 -0
- 8ukh_H_L_A_sample_1_rmsd.json +59 -0
- 8ukh_H_L_A_sample_2_rmsd.json +59 -0
- 8ukh_H_L_A_sample_3_rmsd.json +59 -0
- 8uo9_B__A_sample_1_rmsd.json +39 -0
- 8vsj_H_L_AB_sample_3_rmsd.json +59 -0
7xic_K_L_B_sample_4_rmsd.json
ADDED
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{
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"entry": "7xic_K_L_B_sample_4",
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"success": true,
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"error": null,
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"rmsd": {
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"full_coverage": false
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"heavy_chain": {
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"chain_id": "K",
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"cdr2_fw_aligned": 0.9191251993179321,
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| 30 |
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"cdr3_fw_aligned": 6.302517890930176,
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| 31 |
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"num_residues": 129,
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"num_cdr_residues": 32
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| 33 |
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"light_chain": {
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| 35 |
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"chain_id": "L",
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"total": 1.0286108255386353,
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| 37 |
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"cdr": 0.7503947019577026,
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"framework": 1.0611599683761597,
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"cdr_fw_aligned": 0.9321163296699524,
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"cdr2": 0.41823241114616394,
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"cdr3": 0.9817405939102173,
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"num_residues": 108,
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"num_cdr_residues": 28
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"heavy_chain_atom_counts": {
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"num_pred_atoms": 947,
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8q7s_F__D_sample_0_rmsd.json
ADDED
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{
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"entry": "8q7s_F__D_sample_0",
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"success": true,
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"error": null,
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| 5 |
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"rmsd": {
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"framework": 1.1092894077301025,
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| 10 |
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"num_pred_atoms": 956,
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"num_gt_atoms": 966,
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| 14 |
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"alignment_coverage": {
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| 15 |
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"pred_coverage": 0.9686192468619247,
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| 16 |
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"gt_coverage": 0.9585921325051759,
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"full_coverage": false
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| 19 |
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"heavy_chain": {
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| 20 |
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"chain_id": "F",
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| 21 |
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"total": 2.003772258758545,
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| 22 |
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"cdr": 3.388619899749756,
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| 23 |
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"framework": 1.1092894077301025,
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| 24 |
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"cdr_fw_aligned": 3.789390802383423,
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"cdr1": 4.148414134979248,
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"cdr2": 0.4801361560821533,
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"cdr3": 2.9848275184631348,
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"cdr1_fw_aligned": 5.697108268737793,
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"cdr2_fw_aligned": 1.1813081502914429,
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| 30 |
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"cdr3_fw_aligned": 3.2516543865203857,
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| 31 |
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"num_residues": 128,
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| 32 |
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"num_cdr_residues": 32
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| 33 |
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| 34 |
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"heavy_chain_atom_counts": {
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| 35 |
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"num_pred_atoms": 956,
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| 36 |
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"num_gt_atoms": 966,
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| 37 |
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"num_aligned_atoms": 926
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| 38 |
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}
|
| 39 |
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}
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8q7s_F__D_sample_1_rmsd.json
ADDED
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@@ -0,0 +1,39 @@
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{
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"entry": "8q7s_F__D_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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"framework": 0.9781397581100464,
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"cdr_fw_aligned": 4.132842540740967
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"num_pred_atoms": 956,
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"num_gt_atoms": 966,
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| 13 |
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"num_aligned_atoms": 926,
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| 14 |
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"alignment_coverage": {
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| 15 |
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"gt_coverage": 0.9585921325051759,
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"full_coverage": false
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| 18 |
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| 19 |
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"heavy_chain": {
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| 20 |
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"num_residues": 128,
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"num_cdr_residues": 32
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| 33 |
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| 38 |
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|
| 39 |
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}
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8q7s_F__D_sample_2_rmsd.json
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{
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"entry": "8q7s_F__D_sample_2",
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| 3 |
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"success": true,
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| 4 |
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"error": null,
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| 5 |
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"rmsd": {
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| 6 |
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| 10 |
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"num_pred_atoms": 956,
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| 13 |
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| 14 |
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| 15 |
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"cdr1": 4.0476908683776855,
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"cdr2": 0.52958744764328,
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| 30 |
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| 31 |
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"num_residues": 128,
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| 32 |
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"num_cdr_residues": 32
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| 33 |
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| 34 |
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"heavy_chain_atom_counts": {
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| 35 |
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| 36 |
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| 37 |
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|
| 38 |
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}
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| 39 |
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}
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8q7s_F__D_sample_3_rmsd.json
ADDED
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{
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"entry": "8q7s_F__D_sample_3",
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"success": true,
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| 4 |
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"error": null,
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| 5 |
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"rmsd": {
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| 6 |
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"total": 2.1035053730010986,
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| 7 |
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"cdr": 3.0947420597076416,
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| 8 |
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"framework": 1.1353495121002197,
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| 9 |
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"cdr_fw_aligned": 4.273448467254639
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| 10 |
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},
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| 11 |
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"num_pred_atoms": 956,
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| 12 |
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"num_gt_atoms": 966,
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| 13 |
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"num_aligned_atoms": 926,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9686192468619247,
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| 16 |
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"gt_coverage": 0.9585921325051759,
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| 17 |
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"full_coverage": false
|
| 18 |
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},
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| 19 |
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"heavy_chain": {
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| 20 |
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"chain_id": "F",
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| 21 |
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"total": 2.1035053730010986,
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| 22 |
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"cdr": 3.0947420597076416,
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| 23 |
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"framework": 1.1353495121002197,
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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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|
8qq0_E_D_A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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|
|
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|
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|
|
|
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|
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|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8qq0_E_D_A_sample_0",
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| 3 |
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| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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| 21 |
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| 22 |
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| 23 |
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| 24 |
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| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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| 29 |
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| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 41 |
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| 42 |
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| 43 |
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|
| 44 |
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| 45 |
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| 46 |
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| 47 |
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| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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| 52 |
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| 53 |
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| 54 |
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| 55 |
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|
| 56 |
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| 57 |
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|
| 58 |
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|
| 59 |
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|
8qq0_E_D_A_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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|
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|
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|
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|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8qq0_E_D_A_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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| 16 |
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| 17 |
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|
| 18 |
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| 19 |
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| 20 |
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|
| 21 |
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| 22 |
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| 23 |
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| 25 |
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| 29 |
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| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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| 36 |
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| 37 |
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| 44 |
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| 45 |
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| 46 |
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|
| 48 |
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|
| 49 |
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| 50 |
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| 53 |
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| 54 |
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|
| 57 |
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|
| 58 |
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|
| 59 |
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|
8qz3_C__B_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
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|
|
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|
|
|
|
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|
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|
|
|
|
|
|
|
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|
| 1 |
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{
|
| 2 |
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|
| 3 |
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|
| 4 |
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| 10 |
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| 12 |
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| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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| 17 |
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| 18 |
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| 19 |
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| 20 |
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|
| 38 |
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|
| 39 |
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|
8qz3_C__B_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
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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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| 10 |
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| 12 |
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| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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| 17 |
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|
| 18 |
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| 19 |
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| 20 |
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| 21 |
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| 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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|
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
8qz3_C__B_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
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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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| 10 |
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|
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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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|
| 25 |
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|
| 26 |
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|
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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 |
+
"num_aligned_atoms": 901
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz3_C__B_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
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|
|
|
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|
|
|
|
|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz3_C__B_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 1000,
|
| 12 |
+
"num_gt_atoms": 963,
|
| 13 |
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|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
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|
| 16 |
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"gt_coverage": 0.9356178608515057,
|
| 17 |
+
"full_coverage": false
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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"chain_id": "C",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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"cdr2": 0.6306371688842773,
|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 2.245882034301758,
|
| 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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"num_pred_atoms": 1000,
|
| 36 |
+
"num_gt_atoms": 963,
|
| 37 |
+
"num_aligned_atoms": 901
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz3_C__B_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
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|
|
|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8qz3_C__B_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "C",
|
| 21 |
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|
| 22 |
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|
| 23 |
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"framework": 0.995975911617279,
|
| 24 |
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|
| 25 |
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"cdr1": 2.334627628326416,
|
| 26 |
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"cdr2": 0.9278330206871033,
|
| 27 |
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|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 1.3167767524719238,
|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 31
|
| 33 |
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},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
+
"num_gt_atoms": 963,
|
| 37 |
+
"num_aligned_atoms": 901
|
| 38 |
+
}
|
| 39 |
+
}
|
8r4b_B__A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
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|
|
|
|
|
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|
|
|
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|
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|
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|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8r4b_B__A_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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"num_aligned_atoms": 730
|
| 38 |
+
}
|
| 39 |
+
}
|
8r4b_B__A_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
|
|
|
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|
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|
|
|
|
|
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|
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|
|
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|
|
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|
|
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|
|
|
|
|
|
|
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|
|
|
|
|
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|
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|
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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": "8r4b_B__A_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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|
| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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| 16 |
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|
| 17 |
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|
| 18 |
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| 19 |
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| 20 |
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| 21 |
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| 22 |
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| 23 |
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|
| 25 |
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| 26 |
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| 27 |
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|
| 29 |
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| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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}
|
| 39 |
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}
|
8r4d_B__A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
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|
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|
| 1 |
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{
|
| 2 |
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"entry": "8r4d_B__A_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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| 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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| 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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|
8r9y_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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| 2 |
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|
| 3 |
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|
| 4 |
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|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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| 41 |
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| 42 |
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| 43 |
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| 44 |
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| 45 |
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| 46 |
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| 47 |
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| 48 |
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| 49 |
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| 50 |
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| 51 |
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| 52 |
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| 53 |
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| 54 |
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| 55 |
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| 56 |
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| 57 |
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|
| 58 |
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|
| 59 |
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|
8r9y_H_L_A_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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|
|
|
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|
| 1 |
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{
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| 2 |
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| 3 |
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| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 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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| 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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| 40 |
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| 48 |
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| 49 |
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| 50 |
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| 51 |
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| 53 |
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| 54 |
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| 55 |
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| 56 |
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| 57 |
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|
| 58 |
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|
| 59 |
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|
8r9z_H_L_A_sample_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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| 7 |
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| 10 |
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|
| 12 |
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|
| 13 |
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| 14 |
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| 15 |
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| 16 |
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| 17 |
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| 18 |
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| 19 |
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| 21 |
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| 22 |
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| 33 |
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| 34 |
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| 35 |
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|
| 58 |
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|
| 59 |
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|
8r9z_H_L_A_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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|
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|
| 1 |
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| 33 |
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|
| 58 |
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|
| 59 |
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|
8sgj_H_L_A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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|
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|
| 1 |
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{
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|
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|
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|
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|
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|
| 33 |
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|
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|
| 48 |
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},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
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|
| 51 |
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"num_gt_atoms": 941,
|
| 52 |
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"num_aligned_atoms": 895
|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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"num_gt_atoms": 816,
|
| 57 |
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"num_aligned_atoms": 751
|
| 58 |
+
}
|
| 59 |
+
}
|
8sne_C__A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
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|
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|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sne_C__A_sample_0",
|
| 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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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
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|
| 20 |
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"chain_id": "C",
|
| 21 |
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"total": 3.0582149028778076,
|
| 22 |
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"cdr": 3.932060718536377,
|
| 23 |
+
"framework": 1.8817776441574097,
|
| 24 |
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"cdr_fw_aligned": 7.075523853302002,
|
| 25 |
+
"cdr1": 2.205542802810669,
|
| 26 |
+
"cdr2": 0.4229404330253601,
|
| 27 |
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|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 1.2125213146209717,
|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 26
|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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"num_gt_atoms": 956,
|
| 37 |
+
"num_aligned_atoms": 919
|
| 38 |
+
}
|
| 39 |
+
}
|
8sne_C__A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8sne_C__A_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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"framework": 1.6761740446090698,
|
| 24 |
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|
| 25 |
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|
| 26 |
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"cdr2": 0.4334357976913452,
|
| 27 |
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|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 1.3150973320007324,
|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
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"num_gt_atoms": 956,
|
| 37 |
+
"num_aligned_atoms": 919
|
| 38 |
+
}
|
| 39 |
+
}
|
8sne_C__A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8sne_C__A_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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| 9 |
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|
| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
+
}
|
| 39 |
+
}
|
8sne_C__A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8sne_C__A_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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|
| 5 |
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|
| 6 |
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|
| 7 |
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| 8 |
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| 9 |
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| 10 |
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| 11 |
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| 12 |
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| 13 |
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|
| 14 |
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|
| 15 |
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| 16 |
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| 17 |
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|
| 18 |
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| 19 |
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| 20 |
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| 21 |
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| 22 |
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| 23 |
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| 24 |
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|
| 25 |
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| 26 |
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| 27 |
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| 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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}
|
8sne_C__A_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
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|
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|
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|
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|
| 1 |
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{
|
| 2 |
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"entry": "8sne_C__A_sample_4",
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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 |
+
}
|
8so3_Y_Z_X_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
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|
|
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|
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|
| 1 |
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{
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| 2 |
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"entry": "8so3_Y_Z_X_sample_0",
|
| 3 |
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|
| 4 |
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|
| 5 |
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|
| 6 |
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|
| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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|
| 35 |
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|
| 36 |
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| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 41 |
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| 42 |
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| 43 |
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| 44 |
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| 45 |
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| 46 |
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| 47 |
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| 48 |
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| 49 |
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| 50 |
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| 51 |
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| 52 |
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| 53 |
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| 54 |
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| 55 |
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| 56 |
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| 57 |
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|
| 58 |
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|
| 59 |
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|
8t04_C_D_A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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|
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|
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|
|
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|
|
|
|
|
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|
|
| 1 |
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{
|
| 2 |
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| 3 |
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| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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| 14 |
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| 15 |
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| 16 |
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| 17 |
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|
| 18 |
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| 19 |
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| 20 |
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|
| 21 |
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| 22 |
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| 23 |
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| 24 |
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| 25 |
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| 26 |
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| 27 |
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| 28 |
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| 29 |
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| 30 |
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| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 42 |
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| 43 |
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| 44 |
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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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|
8t06_C_D_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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| 2 |
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| 3 |
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| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 10 |
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|
| 12 |
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|
| 13 |
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| 14 |
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| 15 |
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| 16 |
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| 17 |
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| 18 |
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| 19 |
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| 21 |
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| 22 |
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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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| 48 |
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| 53 |
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| 55 |
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|
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|
| 57 |
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|
| 58 |
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}
|
| 59 |
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|
8t07_C_D_A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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|
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|
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|
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|
| 1 |
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| 2 |
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| 3 |
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|
| 33 |
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| 48 |
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|
| 58 |
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|
| 59 |
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|
8tbb_H_L_D_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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|
| 1 |
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{
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| 2 |
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|
| 3 |
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| 4 |
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| 6 |
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| 10 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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| 17 |
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|
| 18 |
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|
| 19 |
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| 21 |
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| 30 |
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| 31 |
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|
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|
| 33 |
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|
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|
| 35 |
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|
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|
| 42 |
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|
| 43 |
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|
| 44 |
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| 45 |
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| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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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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|
8too_B_A_I_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
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|
|
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|
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|
|
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|
|
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|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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|
| 3 |
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|
| 4 |
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|
| 5 |
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|
| 6 |
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| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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| 24 |
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| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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| 42 |
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|
| 43 |
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| 44 |
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|
| 45 |
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| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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| 52 |
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|
| 53 |
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| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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}
|
| 59 |
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|
8tq7_F_G_C_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
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|
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|
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|
|
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|
|
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|
|
|
|
|
|
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|
| 1 |
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{
|
| 2 |
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"entry": "8tq7_F_G_C_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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| 5 |
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|
| 6 |
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| 7 |
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| 8 |
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| 9 |
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| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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| 16 |
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| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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| 23 |
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|
| 24 |
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| 25 |
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| 26 |
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|
| 28 |
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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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|
| 43 |
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|
| 44 |
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| 45 |
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| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
+
}
|
| 59 |
+
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|
8tq7_F_G_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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|
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|
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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": "8tq7_F_G_C_sample_4",
|
| 3 |
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|
| 4 |
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| 5 |
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|
| 6 |
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| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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|
| 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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| 21 |
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| 22 |
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|
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| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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| 37 |
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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 |
+
}
|
8tvj_H_L_E_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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|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8tvj_H_L_E_sample_1",
|
| 3 |
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|
| 4 |
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|
| 5 |
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|
| 6 |
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|
| 7 |
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| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
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|
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
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|
| 40 |
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|
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|
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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"num_pred_atoms": 1684,
|
| 51 |
+
"num_gt_atoms": 1695,
|
| 52 |
+
"num_aligned_atoms": 1648
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
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|
| 56 |
+
"num_gt_atoms": 1636,
|
| 57 |
+
"num_aligned_atoms": 1586
|
| 58 |
+
}
|
| 59 |
+
}
|
8tvj_H_L_E_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tvj_H_L_E_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 5.125272035598755,
|
| 7 |
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|
| 8 |
+
"framework": 4.9213807582855225,
|
| 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 |
+
"pred_coverage": 0.9850746268656716,
|
| 16 |
+
"gt_coverage": 0.9708796157310117,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
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"total": 5.542105674743652,
|
| 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": 223,
|
| 32 |
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|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 4.708438396453857,
|
| 37 |
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|
| 38 |
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"framework": 4.385714054107666,
|
| 39 |
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"cdr_fw_aligned": 8.077869415283203,
|
| 40 |
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|
| 41 |
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"cdr2": 0.5104503035545349,
|
| 42 |
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"cdr3": 0.7595056295394897,
|
| 43 |
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"cdr1_fw_aligned": 9.050592422485352,
|
| 44 |
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"cdr2_fw_aligned": 6.711400032043457,
|
| 45 |
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"cdr3_fw_aligned": 7.958802223205566,
|
| 46 |
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|
| 47 |
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"num_cdr_residues": 27
|
| 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": 1586
|
| 58 |
+
}
|
| 59 |
+
}
|
8tx3_H_L_CD_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tx3_H_L_CD_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.1540444493293762,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 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": 760
|
| 58 |
+
}
|
| 59 |
+
}
|
8tx3_H_L_CD_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8tx3_H_L_CD_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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|
| 5 |
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|
| 6 |
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| 7 |
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| 8 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
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| 40 |
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|
| 41 |
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|
| 42 |
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|
| 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 |
+
}
|
8tx3_H_L_CD_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tx3_H_L_CD_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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|
| 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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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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}
|
| 59 |
+
}
|
8tx3_H_L_CD_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
|
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|
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|
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|
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|
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|
|
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|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tx3_H_L_CD_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
+
"total": 1.1784901022911072,
|
| 7 |
+
"cdr": 1.3024927973747253,
|
| 8 |
+
"framework": 1.1351737976074219,
|
| 9 |
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"cdr_fw_aligned": 1.3535768389701843
|
| 10 |
+
},
|
| 11 |
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|
| 12 |
+
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|
| 13 |
+
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|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.4971531315552892,
|
| 16 |
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"gt_coverage": 0.9485420240137221,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"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 |
+
"cdr3": 1.5473395586013794,
|
| 28 |
+
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|
| 29 |
+
"cdr2_fw_aligned": 0.9518713355064392,
|
| 30 |
+
"cdr3_fw_aligned": 1.8257561922073364,
|
| 31 |
+
"num_residues": 119,
|
| 32 |
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"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 1.1245537996292114,
|
| 37 |
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|
| 38 |
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"framework": 1.0673140287399292,
|
| 39 |
+
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|
| 40 |
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|
| 41 |
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"cdr2": 1.3971401453018188,
|
| 42 |
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"cdr3": 0.6497082710266113,
|
| 43 |
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"cdr1_fw_aligned": 0.7565345168113708,
|
| 44 |
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"cdr2_fw_aligned": 2.152026891708374,
|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
+
},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 760
|
| 58 |
+
}
|
| 59 |
+
}
|
8tx3_H_L_CD_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tx3_H_L_CD_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.1326558589935303,
|
| 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": 0.4971531315552892,
|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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|
| 36 |
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|
| 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": 760
|
| 58 |
+
}
|
| 59 |
+
}
|
8u1c_H_L_A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
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|
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|
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|
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|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8u1c_H_L_A_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 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": 761
|
| 58 |
+
}
|
| 59 |
+
}
|
8u1q_H_L_A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
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|
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|
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|
|
|
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|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8u1q_H_L_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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|
| 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 |
+
},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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"total": 1.3649744987487793,
|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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"cdr2_fw_aligned": 0.8095794916152954,
|
| 45 |
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"cdr3_fw_aligned": 2.904733180999756,
|
| 46 |
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|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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"num_gt_atoms": 915,
|
| 52 |
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"num_aligned_atoms": 885
|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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"num_gt_atoms": 817,
|
| 57 |
+
"num_aligned_atoms": 782
|
| 58 |
+
}
|
| 59 |
+
}
|
8u1q_H_L_A_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
|
|
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|
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|
| 1 |
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| 2 |
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| 3 |
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| 4 |
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| 10 |
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| 12 |
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| 13 |
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| 14 |
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| 15 |
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| 16 |
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| 19 |
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| 20 |
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| 21 |
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| 22 |
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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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| 48 |
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| 58 |
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| 59 |
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|
8udz_C_D_B_sample_1_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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| 10 |
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| 12 |
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| 13 |
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| 14 |
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| 15 |
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| 16 |
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| 17 |
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| 18 |
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| 19 |
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| 20 |
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| 21 |
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| 22 |
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| 23 |
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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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| 44 |
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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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| 56 |
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| 57 |
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|
| 58 |
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|
| 59 |
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|
8ukh_H_L_A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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|
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|
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|
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|
| 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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| 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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| 30 |
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| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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| 37 |
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| 44 |
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| 45 |
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| 46 |
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| 47 |
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|
| 48 |
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|
| 49 |
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| 50 |
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| 51 |
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| 52 |
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| 53 |
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| 54 |
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| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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}
|
| 59 |
+
}
|
8ukh_H_L_A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
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|
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|
| 1 |
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{
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| 2 |
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|
| 3 |
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|
| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 8 |
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|
| 10 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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| 16 |
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| 17 |
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|
| 18 |
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|
| 19 |
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| 20 |
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|
| 21 |
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|
| 22 |
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|
| 25 |
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| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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| 38 |
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|
| 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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| 56 |
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|
| 57 |
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|
| 58 |
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}
|
| 59 |
+
}
|
8ukh_H_L_A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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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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| 10 |
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| 11 |
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| 12 |
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| 13 |
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| 14 |
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| 15 |
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| 16 |
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| 17 |
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|
| 18 |
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| 19 |
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|
| 20 |
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| 21 |
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| 22 |
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| 23 |
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| 24 |
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| 25 |
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| 26 |
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| 27 |
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| 28 |
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| 29 |
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| 30 |
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| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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| 36 |
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| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 41 |
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| 42 |
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| 43 |
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| 44 |
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| 45 |
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| 46 |
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| 48 |
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| 49 |
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| 50 |
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| 51 |
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| 52 |
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| 53 |
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| 54 |
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| 55 |
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| 56 |
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| 57 |
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|
| 58 |
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|
| 59 |
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|
8ukh_H_L_A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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|
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|
|
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|
|
| 1 |
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{
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| 2 |
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"entry": "8ukh_H_L_A_sample_3",
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| 3 |
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|
| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 10 |
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| 11 |
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|
| 12 |
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| 13 |
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| 14 |
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| 15 |
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| 16 |
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| 17 |
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|
| 18 |
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| 19 |
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| 20 |
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|
| 21 |
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| 22 |
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| 23 |
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| 24 |
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| 25 |
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| 26 |
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| 27 |
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|
| 28 |
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| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 41 |
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| 42 |
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| 43 |
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|
| 44 |
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| 45 |
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| 46 |
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|
| 48 |
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|
| 49 |
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| 50 |
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| 51 |
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| 52 |
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| 53 |
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| 54 |
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| 55 |
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| 56 |
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|
| 57 |
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|
| 58 |
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|
| 59 |
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|
8uo9_B__A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
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|
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|
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|
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|
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|
|
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|
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|
|
|
|
|
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|
|
|
|
|
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|
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|
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|
|
|
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|
|
|
|
|
|
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|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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|
| 3 |
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|
| 4 |
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|
| 5 |
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|
| 6 |
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|
| 7 |
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| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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}
|
| 39 |
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}
|
8vsj_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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|
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|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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|
| 3 |
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"success": true,
|
| 4 |
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|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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| 23 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
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|
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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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