Add files using upload-large-folder tool
Browse files- 8e1m_H_L_C_sample_3_rmsd.json +59 -0
- 8qq0_E_D_A_sample_3_rmsd_backbone.json +59 -0
- 8r9z_B_C_A_sample_1_rmsd_backbone.json +59 -0
- 8rh0_H_L_A_sample_4_rmsd_backbone.json +59 -0
- 8s0l_B__A_sample_3_rmsd.json +39 -0
- 8s5w_B__A_sample_1_rmsd.json +39 -0
- 8scx_H_L_C_sample_1_rmsd.json +59 -0
- 8sdg_G_I_C_sample_4_rmsd.json +59 -0
- 8sfx_D__B_sample_3_rmsd.json +39 -0
- 8so3_Y_Z_X_sample_4_rmsd.json +59 -0
- 8t06_C_D_A_sample_3_rmsd_backbone.json +59 -0
- 8t9b_C_G_L_sample_0_rmsd.json +59 -0
- 8tco_E_D_AB_sample_4_rmsd_backbone.json +59 -0
- 8tga_E_F_B_sample_0_rmsd_backbone.json +59 -0
- 8tl5_G_H_AB_sample_3_rmsd.json +59 -0
- 8tnj_D_C_A_sample_4_rmsd_backbone.json +59 -0
- 8tnj_E_F_A_sample_1_rmsd.json +59 -0
- 8tnj_E_F_A_sample_2_rmsd_backbone.json +59 -0
- 8tp5_E_F_C_sample_1_rmsd_backbone.json +59 -0
- 8tp7_D_F_A_sample_1_rmsd.json +59 -0
- 8tui_H_L_A_sample_3_rmsd_backbone.json +59 -0
- 8tx3_H_L_CD_sample_4_rmsd.json +59 -0
- 8txm_H_L_AB_sample_1_rmsd_backbone.json +59 -0
- 8txm_H_L_AB_sample_4_rmsd.json +59 -0
- 8txt_H_L_EF_sample_1_rmsd_backbone.json +59 -0
- 8ty7_H_L_AB_sample_1_rmsd_backbone.json +59 -0
- 8ukh_H_L_A_sample_1_rmsd_backbone.json +59 -0
- 8uoa_B__A_sample_2_rmsd.json +39 -0
- 8v7o_H_L_A_sample_0_rmsd.json +59 -0
- 8vqd_C_B_A_sample_2_rmsd.json +59 -0
- 8vuh_H_L_A_sample_1_rmsd_backbone.json +59 -0
- 8vuh_H_L_A_sample_3_rmsd.json +59 -0
- 8vuj_H_L_A_sample_0_rmsd.json +59 -0
- 8vun_G_I_C_sample_4_rmsd_backbone.json +59 -0
- 8vvh_H_L_A_sample_1_rmsd.json +59 -0
- 8vww_H_L_A_sample_1_rmsd.json +59 -0
- 8weo_C__B_sample_2_rmsd_backbone.json +39 -0
- 8wsn_E_F_A_sample_4_rmsd_backbone.json +59 -0
- 8wz3_D_F_A_sample_2_rmsd.json +59 -0
- 8x9b_O_P_EI_sample_0_rmsd.json +59 -0
- 8xsl_H_L_A_sample_0_rmsd_backbone.json +59 -0
- 8ysf_C__B_sample_4_rmsd_backbone.json +39 -0
- 8zc0_H_G_A_sample_4_rmsd.json +59 -0
- 8zc4_H_G_A_sample_2_rmsd.json +59 -0
- 8zer_H__G_sample_4_rmsd_backbone.json +39 -0
- 8zhe_H_L_A_sample_0_rmsd.json +59 -0
- 8zpb_B__A_sample_2_rmsd_backbone.json +39 -0
- 9ctu_D_C_A_sample_1_rmsd.json +59 -0
- 9fkd_H_L_B_sample_3_rmsd_backbone.json +59 -0
- 9fzc_C__A_sample_0_rmsd.json +39 -0
8e1m_H_L_C_sample_3_rmsd.json
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{
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"entry": "8e1m_H_L_C_sample_3",
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"num_residues": 117,
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"num_residues": 111,
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"num_cdr_residues": 31
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8qq0_E_D_A_sample_3_rmsd_backbone.json
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{
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"entry": "8qq0_E_D_A_sample_3",
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"success": true,
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"error": null,
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"rmsd": {
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}
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8r9z_B_C_A_sample_1_rmsd_backbone.json
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{
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"entry": "8r9z_B_C_A_sample_1",
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| 18 |
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| 19 |
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| 20 |
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| 21 |
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| 32 |
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| 33 |
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| 34 |
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| 35 |
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| 58 |
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}
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| 59 |
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}
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8rh0_H_L_A_sample_4_rmsd_backbone.json
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{
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"entry": "8rh0_H_L_A_sample_4",
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"success": true,
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| 4 |
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"error": null,
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| 5 |
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"rmsd": {
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| 6 |
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"total": 1.1373494267463684,
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| 7 |
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| 8 |
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"cdr_fw_aligned": 1.9760727286338806
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| 10 |
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},
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| 11 |
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"num_pred_atoms": 2656,
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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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|
8s0l_B__A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
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|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8s0l_B__A_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
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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": 916
|
| 38 |
+
}
|
| 39 |
+
}
|
8s5w_B__A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
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|
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|
|
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|
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|
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|
|
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|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8s5w_B__A_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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"cdr": 5.0926079750061035,
|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 2.256697177886963,
|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 27
|
| 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": 935,
|
| 37 |
+
"num_aligned_atoms": 870
|
| 38 |
+
}
|
| 39 |
+
}
|
8scx_H_L_C_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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| 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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"chain_id": "L",
|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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}
|
| 59 |
+
}
|
8sdg_G_I_C_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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{
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| 2 |
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"entry": "8sdg_G_I_C_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "G",
|
| 21 |
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"total": 2.0491957664489746,
|
| 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": "I",
|
| 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": 1569
|
| 58 |
+
}
|
| 59 |
+
}
|
8sfx_D__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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 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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"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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"cdr2_fw_aligned": 1.6882104873657227,
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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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|
8so3_Y_Z_X_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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|
|
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|
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|
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|
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|
|
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|
|
|
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|
|
|
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|
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|
|
|
|
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|
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|
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|
|
|
|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
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|
|
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|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
| 1 |
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{
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| 2 |
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"entry": "8so3_Y_Z_X_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 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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"chain_id": "Z",
|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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"cdr_fw_aligned": 14.80485725402832,
|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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"cdr1_fw_aligned": 15.478822708129883,
|
| 44 |
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"cdr2_fw_aligned": 10.390320777893066,
|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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}
|
| 59 |
+
}
|
8t06_C_D_A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
|
|
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|
|
|
|
|
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|
|
|
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|
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|
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|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8t06_C_D_A_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 0.6755179762840271,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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"num_aligned_atoms": 908,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 1.0,
|
| 16 |
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|
| 17 |
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"full_coverage": true
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "C",
|
| 21 |
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"total": 0.6963968276977539,
|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 24
|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "D",
|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 428
|
| 58 |
+
}
|
| 59 |
+
}
|
8t9b_C_G_L_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
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|
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|
|
|
|
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|
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|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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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": "8t9b_C_G_L_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 4.083250164985657,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "C",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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},
|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
+
}
|
| 59 |
+
}
|
8tco_E_D_AB_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tco_E_D_AB_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.4237885773181915,
|
| 7 |
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"cdr": 2.1383137702941895,
|
| 8 |
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"framework": 0.8076466917991638,
|
| 9 |
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"cdr_fw_aligned": 2.7187041640281677
|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.5260770975056689,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "E",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 1.0985291004180908,
|
| 30 |
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"cdr3_fw_aligned": 5.240133285522461,
|
| 31 |
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"num_residues": 124,
|
| 32 |
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"num_cdr_residues": 29
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "D",
|
| 36 |
+
"total": 0.941000759601593,
|
| 37 |
+
"cdr": 1.1755023002624512,
|
| 38 |
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"framework": 0.7230216860771179,
|
| 39 |
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"cdr_fw_aligned": 1.4876195192337036,
|
| 40 |
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"cdr1": 0.37139642238616943,
|
| 41 |
+
"cdr2": 1.1816062927246094,
|
| 42 |
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"cdr3": 1.1198495626449585,
|
| 43 |
+
"cdr1_fw_aligned": 0.6757602095603943,
|
| 44 |
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"cdr2_fw_aligned": 1.4682250022888184,
|
| 45 |
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"cdr3_fw_aligned": 2.0014631748199463,
|
| 46 |
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"num_residues": 108,
|
| 47 |
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"num_cdr_residues": 29
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 904,
|
| 51 |
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"num_gt_atoms": 496,
|
| 52 |
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"num_aligned_atoms": 496
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
+
"num_gt_atoms": 432,
|
| 57 |
+
"num_aligned_atoms": 432
|
| 58 |
+
}
|
| 59 |
+
}
|
8tga_E_F_B_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
|
|
|
|
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|
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|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tga_E_F_B_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.2231991291046143,
|
| 7 |
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"cdr": 1.1406003832817078,
|
| 8 |
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"framework": 2.0797142386436462,
|
| 9 |
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"cdr_fw_aligned": 3.4177446365356445
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 1768,
|
| 12 |
+
"num_gt_atoms": 1708,
|
| 13 |
+
"num_aligned_atoms": 1708,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9660633484162896,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "E",
|
| 21 |
+
"total": 2.125154733657837,
|
| 22 |
+
"cdr": 1.6097525358200073,
|
| 23 |
+
"framework": 1.9509261846542358,
|
| 24 |
+
"cdr_fw_aligned": 3.368778944015503,
|
| 25 |
+
"cdr1": 0.4035986661911011,
|
| 26 |
+
"cdr2": 0.6287562847137451,
|
| 27 |
+
"cdr3": 1.6143155097961426,
|
| 28 |
+
"cdr1_fw_aligned": 3.4495065212249756,
|
| 29 |
+
"cdr2_fw_aligned": 4.26086950302124,
|
| 30 |
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"cdr3_fw_aligned": 2.8929715156555176,
|
| 31 |
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"num_residues": 214,
|
| 32 |
+
"num_cdr_residues": 28
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "F",
|
| 36 |
+
"total": 2.3212435245513916,
|
| 37 |
+
"cdr": 0.6714482307434082,
|
| 38 |
+
"framework": 2.2085022926330566,
|
| 39 |
+
"cdr_fw_aligned": 3.466710329055786,
|
| 40 |
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"cdr1": 0.7221706509590149,
|
| 41 |
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"cdr2": 0.2629859745502472,
|
| 42 |
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"cdr3": 0.5642656087875366,
|
| 43 |
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"cdr1_fw_aligned": 3.6948800086975098,
|
| 44 |
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"cdr2_fw_aligned": 3.7085793018341064,
|
| 45 |
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"cdr3_fw_aligned": 2.8727078437805176,
|
| 46 |
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"num_residues": 213,
|
| 47 |
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"num_cdr_residues": 26
|
| 48 |
+
},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 916,
|
| 51 |
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"num_gt_atoms": 856,
|
| 52 |
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"num_aligned_atoms": 856
|
| 53 |
+
},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 852,
|
| 57 |
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"num_aligned_atoms": 852
|
| 58 |
+
}
|
| 59 |
+
}
|
8tl5_G_H_AB_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tl5_G_H_AB_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.4168416261672974,
|
| 7 |
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"cdr": 1.9376192092895508,
|
| 8 |
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"framework": 1.1036741137504578,
|
| 9 |
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|
| 10 |
+
},
|
| 11 |
+
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|
| 12 |
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|
| 13 |
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"num_aligned_atoms": 1620,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.4856115107913669,
|
| 16 |
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"gt_coverage": 0.9220261809903244,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "G",
|
| 21 |
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"total": 1.789023995399475,
|
| 22 |
+
"cdr": 3.130244255065918,
|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 0.8723107576370239,
|
| 29 |
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"cdr2_fw_aligned": 0.595451831817627,
|
| 30 |
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|
| 31 |
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|
| 32 |
+
"num_cdr_residues": 30
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "H",
|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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"cdr3": 0.5830036997795105,
|
| 43 |
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"cdr1_fw_aligned": 0.9893706440925598,
|
| 44 |
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"cdr2_fw_aligned": 0.7638187408447266,
|
| 45 |
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|
| 46 |
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"num_residues": 107,
|
| 47 |
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|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
+
},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 823,
|
| 57 |
+
"num_aligned_atoms": 748
|
| 58 |
+
}
|
| 59 |
+
}
|
8tnj_D_C_A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tnj_D_C_A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 0.9093630313873291,
|
| 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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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "D",
|
| 21 |
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"total": 0.9340927004814148,
|
| 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 |
+
"light_chain": {
|
| 35 |
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"chain_id": "C",
|
| 36 |
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"total": 0.8846333622932434,
|
| 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": 0.9866587519645691,
|
| 45 |
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|
| 46 |
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|
| 47 |
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"num_cdr_residues": 29
|
| 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": 848
|
| 58 |
+
}
|
| 59 |
+
}
|
8tnj_E_F_A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tnj_E_F_A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.4998809695243835,
|
| 7 |
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"cdr": 3.9047900438308716,
|
| 8 |
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"framework": 1.1634331345558167,
|
| 9 |
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"cdr_fw_aligned": 4.950832217931747
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 3353,
|
| 12 |
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|
| 13 |
+
"num_aligned_atoms": 1640,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.48911422606620936,
|
| 16 |
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"gt_coverage": 0.9187675070028011,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "E",
|
| 21 |
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"total": 3.8354275226593018,
|
| 22 |
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"cdr": 7.000670433044434,
|
| 23 |
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"framework": 1.1082981824874878,
|
| 24 |
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|
| 25 |
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"cdr1": 0.6112691164016724,
|
| 26 |
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"cdr2": 0.3527860641479492,
|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 0.8887425065040588,
|
| 29 |
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"cdr2_fw_aligned": 1.3724969625473022,
|
| 30 |
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"cdr3_fw_aligned": 11.656218528747559,
|
| 31 |
+
"num_residues": 126,
|
| 32 |
+
"num_cdr_residues": 31
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "F",
|
| 36 |
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"total": 1.1643344163894653,
|
| 37 |
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"cdr": 0.8089096546173096,
|
| 38 |
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"framework": 1.2185680866241455,
|
| 39 |
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"cdr_fw_aligned": 0.9321009516716003,
|
| 40 |
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|
| 41 |
+
"cdr2": 0.35339802503585815,
|
| 42 |
+
"cdr3": 0.8434752821922302,
|
| 43 |
+
"cdr1_fw_aligned": 0.8140450716018677,
|
| 44 |
+
"cdr2_fw_aligned": 0.5100030303001404,
|
| 45 |
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"cdr3_fw_aligned": 1.2183747291564941,
|
| 46 |
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"num_residues": 107,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 1728,
|
| 51 |
+
"num_gt_atoms": 967,
|
| 52 |
+
"num_aligned_atoms": 880
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 1625,
|
| 56 |
+
"num_gt_atoms": 818,
|
| 57 |
+
"num_aligned_atoms": 760
|
| 58 |
+
}
|
| 59 |
+
}
|
8tnj_E_F_A_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
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|
|
|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tnj_E_F_A_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.8210541605949402,
|
| 7 |
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"cdr": 2.816326469182968,
|
| 8 |
+
"framework": 0.5930395722389221,
|
| 9 |
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"cdr_fw_aligned": 3.7245468497276306
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 1812,
|
| 12 |
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"num_gt_atoms": 932,
|
| 13 |
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"num_aligned_atoms": 932,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.5143487858719646,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "E",
|
| 21 |
+
"total": 3.0335912704467773,
|
| 22 |
+
"cdr": 4.960787773132324,
|
| 23 |
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"framework": 0.635614812374115,
|
| 24 |
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"cdr_fw_aligned": 6.659488677978516,
|
| 25 |
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"cdr1": 0.445702463388443,
|
| 26 |
+
"cdr2": 0.18589165806770325,
|
| 27 |
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"cdr3": 4.467409610748291,
|
| 28 |
+
"cdr1_fw_aligned": 0.8510410785675049,
|
| 29 |
+
"cdr2_fw_aligned": 0.7612152099609375,
|
| 30 |
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"cdr3_fw_aligned": 8.712262153625488,
|
| 31 |
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"num_residues": 126,
|
| 32 |
+
"num_cdr_residues": 31
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "F",
|
| 36 |
+
"total": 0.608517050743103,
|
| 37 |
+
"cdr": 0.6718651652336121,
|
| 38 |
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"framework": 0.5504643321037292,
|
| 39 |
+
"cdr_fw_aligned": 0.7896050214767456,
|
| 40 |
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"cdr1": 0.8122485876083374,
|
| 41 |
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"cdr2": 0.3527704179286957,
|
| 42 |
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"cdr3": 0.42100226879119873,
|
| 43 |
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"cdr1_fw_aligned": 0.8844112157821655,
|
| 44 |
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"cdr2_fw_aligned": 0.5806499123573303,
|
| 45 |
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"cdr3_fw_aligned": 0.807567834854126,
|
| 46 |
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"num_residues": 107,
|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 952,
|
| 51 |
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"num_gt_atoms": 504,
|
| 52 |
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"num_aligned_atoms": 504
|
| 53 |
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},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 428,
|
| 57 |
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"num_aligned_atoms": 428
|
| 58 |
+
}
|
| 59 |
+
}
|
8tp5_E_F_C_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tp5_E_F_C_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.3839523792266846,
|
| 7 |
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"cdr": 2.045985996723175,
|
| 8 |
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"framework": 0.7392829060554504,
|
| 9 |
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"cdr_fw_aligned": 2.4453739523887634
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 968,
|
| 12 |
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"num_gt_atoms": 968,
|
| 13 |
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"num_aligned_atoms": 968,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 1.0,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "E",
|
| 21 |
+
"total": 1.6315735578536987,
|
| 22 |
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"cdr": 2.6642696857452393,
|
| 23 |
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"framework": 0.553645670413971,
|
| 24 |
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"cdr_fw_aligned": 3.2654807567596436,
|
| 25 |
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"cdr1": 1.6549324989318848,
|
| 26 |
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|
| 27 |
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"cdr3": 2.3325040340423584,
|
| 28 |
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"cdr1_fw_aligned": 2.2342591285705566,
|
| 29 |
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"cdr2_fw_aligned": 0.5216946005821228,
|
| 30 |
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"cdr3_fw_aligned": 3.9399092197418213,
|
| 31 |
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"num_residues": 130,
|
| 32 |
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"num_cdr_residues": 34
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "F",
|
| 36 |
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"total": 1.1363312005996704,
|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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"cdr3": 1.0098532438278198,
|
| 43 |
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"cdr1_fw_aligned": 1.855709433555603,
|
| 44 |
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"cdr2_fw_aligned": 0.4495461881160736,
|
| 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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"num_aligned_atoms": 520
|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 448,
|
| 57 |
+
"num_aligned_atoms": 448
|
| 58 |
+
}
|
| 59 |
+
}
|
8tp7_D_F_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 |
+
{
|
| 2 |
+
"entry": "8tp7_D_F_A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.3358361423015594,
|
| 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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"num_residues": 126,
|
| 32 |
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|
| 33 |
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},
|
| 34 |
+
"light_chain": {
|
| 35 |
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"chain_id": "F",
|
| 36 |
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"total": 0.8657518029212952,
|
| 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": 0.36374178528785706,
|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 789,
|
| 57 |
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"num_aligned_atoms": 726
|
| 58 |
+
}
|
| 59 |
+
}
|
8tui_H_L_A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tui_H_L_A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
+
"total": 1.4817275702953339,
|
| 7 |
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"cdr": 2.666355162858963,
|
| 8 |
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"framework": 1.0821483731269836,
|
| 9 |
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"cdr_fw_aligned": 3.109169602394104
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 1916,
|
| 12 |
+
"num_gt_atoms": 1748,
|
| 13 |
+
"num_aligned_atoms": 1748,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9123173277661796,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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"total": 2.3142926692962646,
|
| 22 |
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"cdr": 4.43338680267334,
|
| 23 |
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"framework": 1.589670181274414,
|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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"cdr3": 3.545686721801758,
|
| 28 |
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"cdr1_fw_aligned": 2.3777990341186523,
|
| 29 |
+
"cdr2_fw_aligned": 3.390845537185669,
|
| 30 |
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"cdr3_fw_aligned": 6.596078872680664,
|
| 31 |
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"num_residues": 225,
|
| 32 |
+
"num_cdr_residues": 27
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
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"total": 0.6491624712944031,
|
| 37 |
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"cdr": 0.8993235230445862,
|
| 38 |
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"framework": 0.5746265649795532,
|
| 39 |
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"cdr_fw_aligned": 1.0626885890960693,
|
| 40 |
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"cdr1": 0.580672025680542,
|
| 41 |
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|
| 42 |
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|
| 43 |
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"cdr1_fw_aligned": 0.77264404296875,
|
| 44 |
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"cdr2_fw_aligned": 0.5157274007797241,
|
| 45 |
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"cdr3_fw_aligned": 1.5656970739364624,
|
| 46 |
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"num_residues": 212,
|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 1060,
|
| 51 |
+
"num_gt_atoms": 900,
|
| 52 |
+
"num_aligned_atoms": 900
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 856,
|
| 56 |
+
"num_gt_atoms": 848,
|
| 57 |
+
"num_aligned_atoms": 848
|
| 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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|
|
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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_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.0647250413894653,
|
| 7 |
+
"cdr": 1.0566136538982391,
|
| 8 |
+
"framework": 1.0415425896644592,
|
| 9 |
+
"cdr_fw_aligned": 1.1950802206993103
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 3331,
|
| 12 |
+
"num_gt_atoms": 1749,
|
| 13 |
+
"num_aligned_atoms": 1625,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.48784148904232966,
|
| 16 |
+
"gt_coverage": 0.9291023441966838,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.1238377094268799,
|
| 22 |
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"cdr": 1.2935842275619507,
|
| 23 |
+
"framework": 1.0436222553253174,
|
| 24 |
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"cdr_fw_aligned": 1.5169740915298462,
|
| 25 |
+
"cdr1": 0.7829338908195496,
|
| 26 |
+
"cdr2": 0.36056777834892273,
|
| 27 |
+
"cdr3": 1.1131186485290527,
|
| 28 |
+
"cdr1_fw_aligned": 0.8576623797416687,
|
| 29 |
+
"cdr2_fw_aligned": 0.4207691252231598,
|
| 30 |
+
"cdr3_fw_aligned": 2.1843202114105225,
|
| 31 |
+
"num_residues": 119,
|
| 32 |
+
"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 1.0056123733520508,
|
| 37 |
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"cdr": 0.8196430802345276,
|
| 38 |
+
"framework": 1.039462924003601,
|
| 39 |
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"cdr_fw_aligned": 0.8731863498687744,
|
| 40 |
+
"cdr1": 0.6590980291366577,
|
| 41 |
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"cdr2": 0.5723583102226257,
|
| 42 |
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"cdr3": 0.70884108543396,
|
| 43 |
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"cdr1_fw_aligned": 0.7240140438079834,
|
| 44 |
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"cdr2_fw_aligned": 0.9588596820831299,
|
| 45 |
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"cdr3_fw_aligned": 0.9589825868606567,
|
| 46 |
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"num_residues": 107,
|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 1706,
|
| 51 |
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"num_gt_atoms": 933,
|
| 52 |
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"num_aligned_atoms": 868
|
| 53 |
+
},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 816,
|
| 57 |
+
"num_aligned_atoms": 757
|
| 58 |
+
}
|
| 59 |
+
}
|
8txm_H_L_AB_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8txm_H_L_AB_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.2734683156013489,
|
| 7 |
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"cdr": 1.6170864701271057,
|
| 8 |
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"framework": 1.1275105774402618,
|
| 9 |
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|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 1760,
|
| 12 |
+
"num_gt_atoms": 1760,
|
| 13 |
+
"num_aligned_atoms": 1760,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 1.0,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
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"total": 1.5428414344787598,
|
| 22 |
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"cdr": 2.574307680130005,
|
| 23 |
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"framework": 1.3060595989227295,
|
| 24 |
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"cdr_fw_aligned": 2.746687889099121,
|
| 25 |
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|
| 26 |
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"cdr2": 0.29451602697372437,
|
| 27 |
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|
| 28 |
+
"cdr1_fw_aligned": 3.323802947998047,
|
| 29 |
+
"cdr2_fw_aligned": 2.2050111293792725,
|
| 30 |
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|
| 31 |
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"num_residues": 226,
|
| 32 |
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"num_cdr_residues": 27
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
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"total": 1.004095196723938,
|
| 37 |
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|
| 38 |
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|
| 39 |
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"cdr_fw_aligned": 1.445845127105713,
|
| 40 |
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|
| 41 |
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"cdr2": 0.2447182536125183,
|
| 42 |
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"cdr3": 0.9011357426643372,
|
| 43 |
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"cdr1_fw_aligned": 1.3667360544204712,
|
| 44 |
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"cdr2_fw_aligned": 1.1777079105377197,
|
| 45 |
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"cdr3_fw_aligned": 1.705735206604004,
|
| 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": 904,
|
| 52 |
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"num_aligned_atoms": 904
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
+
"num_gt_atoms": 856,
|
| 57 |
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"num_aligned_atoms": 856
|
| 58 |
+
}
|
| 59 |
+
}
|
8txm_H_L_AB_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": "8txm_H_L_AB_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.425585150718689,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 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 |
+
},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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"num_residues": 214,
|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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"num_gt_atoms": 1664,
|
| 52 |
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|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 1642,
|
| 57 |
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"num_aligned_atoms": 1583
|
| 58 |
+
}
|
| 59 |
+
}
|
8txt_H_L_EF_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8txt_H_L_EF_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.3402838706970215,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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"num_aligned_atoms": 1744,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9931662870159453,
|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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"total": 2.5528416633605957,
|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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"cdr3": 2.7561917304992676,
|
| 28 |
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"cdr1_fw_aligned": 6.830799579620361,
|
| 29 |
+
"cdr2_fw_aligned": 2.59344482421875,
|
| 30 |
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"cdr3_fw_aligned": 7.781917095184326,
|
| 31 |
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"num_residues": 223,
|
| 32 |
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"num_cdr_residues": 27
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
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"total": 2.1277260780334473,
|
| 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": 2.822986602783203,
|
| 45 |
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"cdr3_fw_aligned": 3.170355796813965,
|
| 46 |
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"num_residues": 213,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 900,
|
| 51 |
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"num_gt_atoms": 892,
|
| 52 |
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"num_aligned_atoms": 892
|
| 53 |
+
},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
+
"num_gt_atoms": 852,
|
| 57 |
+
"num_aligned_atoms": 852
|
| 58 |
+
}
|
| 59 |
+
}
|
8ty7_H_L_AB_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
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|
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|
|
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|
|
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|
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|
|
|
|
|
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|
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|
|
|
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|
|
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|
|
|
|
|
|
|
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|
|
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|
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|
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|
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|
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|
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|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
| 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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"full_coverage": false
|
| 18 |
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|
| 19 |
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|
| 20 |
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"chain_id": "H",
|
| 21 |
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|
| 22 |
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|
| 23 |
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| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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| 40 |
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|
| 41 |
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|
| 42 |
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"cdr3": 0.33321794867515564,
|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 852
|
| 58 |
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}
|
| 59 |
+
}
|
8ukh_H_L_A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
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|
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|
|
|
|
|
|
|
|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8ukh_H_L_A_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 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 |
+
}
|
8uoa_B__A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8uoa_B__A_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 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 |
+
}
|
8v7o_H_L_A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
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|
|
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|
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|
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|
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|
|
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|
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|
|
|
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|
|
|
|
|
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|
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|
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|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8v7o_H_L_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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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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},
|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
+
}
|
| 59 |
+
}
|
8vqd_C_B_A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
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|
|
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|
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|
|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8vqd_C_B_A_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.8140485286712646,
|
| 7 |
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"cdr": 2.1191874146461487,
|
| 8 |
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"framework": 1.4436318278312683,
|
| 9 |
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"cdr_fw_aligned": 2.8548755645751953
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 3534,
|
| 12 |
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"num_gt_atoms": 1785,
|
| 13 |
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"num_aligned_atoms": 1703,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.4818902093944539,
|
| 16 |
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"gt_coverage": 0.95406162464986,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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|
| 20 |
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"chain_id": "C",
|
| 21 |
+
"total": 1.6486473083496094,
|
| 22 |
+
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|
| 23 |
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"framework": 0.939966082572937,
|
| 24 |
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"cdr_fw_aligned": 3.5462422370910645,
|
| 25 |
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"cdr1": 3.240180253982544,
|
| 26 |
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"cdr2": 0.9903483986854553,
|
| 27 |
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"cdr3": 1.4138027429580688,
|
| 28 |
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"cdr1_fw_aligned": 4.193975448608398,
|
| 29 |
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"cdr2_fw_aligned": 2.016345977783203,
|
| 30 |
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|
| 31 |
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"num_residues": 127,
|
| 32 |
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"num_cdr_residues": 33
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "B",
|
| 36 |
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|
| 37 |
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|
| 38 |
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"framework": 1.9472975730895996,
|
| 39 |
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"cdr_fw_aligned": 2.163508892059326,
|
| 40 |
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"cdr1": 2.367417335510254,
|
| 41 |
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"cdr2": 0.8080153465270996,
|
| 42 |
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"cdr3": 1.2978571653366089,
|
| 43 |
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"cdr1_fw_aligned": 3.2199389934539795,
|
| 44 |
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"cdr2_fw_aligned": 0.9289275407791138,
|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 895
|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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"num_gt_atoms": 808,
|
| 57 |
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"num_aligned_atoms": 808
|
| 58 |
+
}
|
| 59 |
+
}
|
8vuh_H_L_A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
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|
|
|
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|
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|
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|
|
|
|
|
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|
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|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8vuh_H_L_A_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.3355073928833008,
|
| 7 |
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|
| 8 |
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"framework": 1.2275062203407288,
|
| 9 |
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"cdr_fw_aligned": 1.7134899497032166
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 904,
|
| 12 |
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|
| 13 |
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"num_aligned_atoms": 904,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 1.0,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
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"total": 1.5769814252853394,
|
| 22 |
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"cdr": 1.9492542743682861,
|
| 23 |
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"framework": 1.3838258981704712,
|
| 24 |
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|
| 25 |
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"cdr1": 0.7877537608146667,
|
| 26 |
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"cdr2": 0.9061015248298645,
|
| 27 |
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"cdr3": 2.07226824760437,
|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 1.4091612100601196,
|
| 30 |
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|
| 31 |
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"num_residues": 117,
|
| 32 |
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"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
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"total": 1.0940333604812622,
|
| 37 |
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|
| 38 |
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"framework": 1.0711865425109863,
|
| 39 |
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"cdr_fw_aligned": 1.1918686628341675,
|
| 40 |
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"cdr1": 0.8590571880340576,
|
| 41 |
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"cdr2": 0.6970021724700928,
|
| 42 |
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"cdr3": 0.8173540830612183,
|
| 43 |
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|
| 44 |
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"cdr2_fw_aligned": 1.2466626167297363,
|
| 45 |
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|
| 46 |
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|
| 47 |
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"num_cdr_residues": 29
|
| 48 |
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},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 468,
|
| 51 |
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"num_gt_atoms": 468,
|
| 52 |
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"num_aligned_atoms": 468
|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 436,
|
| 57 |
+
"num_aligned_atoms": 436
|
| 58 |
+
}
|
| 59 |
+
}
|
8vuh_H_L_A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
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|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8vuh_H_L_A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.7018569707870483,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9324566646742379,
|
| 16 |
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"gt_coverage": 0.9403254972875226,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
+
"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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},
|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
+
},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
+
"num_aligned_atoms": 735
|
| 58 |
+
}
|
| 59 |
+
}
|
8vuj_H_L_A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
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|
|
|
|
|
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|
|
|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8vuj_H_L_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 |
+
"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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"num_residues": 117,
|
| 32 |
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|
| 33 |
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},
|
| 34 |
+
"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
+
},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 735
|
| 58 |
+
}
|
| 59 |
+
}
|
8vun_G_I_C_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8vun_G_I_C_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.868573307991028,
|
| 7 |
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"cdr": 1.1384778320789337,
|
| 8 |
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"framework": 2.8012415170669556,
|
| 9 |
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"cdr_fw_aligned": 3.688829779624939
|
| 10 |
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},
|
| 11 |
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|
| 12 |
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"num_gt_atoms": 1716,
|
| 13 |
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"num_aligned_atoms": 1716,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 1.0,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "G",
|
| 21 |
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"total": 3.4656736850738525,
|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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"cdr2": 1.2807422876358032,
|
| 27 |
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|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 4.57724142074585,
|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 26
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "I",
|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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"cdr3": 0.9276633262634277,
|
| 43 |
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"cdr1_fw_aligned": 3.886409044265747,
|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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"num_gt_atoms": 880,
|
| 52 |
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"num_aligned_atoms": 880
|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 836,
|
| 57 |
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"num_aligned_atoms": 836
|
| 58 |
+
}
|
| 59 |
+
}
|
8vvh_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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|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8vvh_H_L_A_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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"framework": 1.3629451394081116,
|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.8819612590799032,
|
| 16 |
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"gt_coverage": 0.9345734445157152,
|
| 17 |
+
"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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"cdr2_fw_aligned": 1.2898142337799072,
|
| 30 |
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"cdr3_fw_aligned": 1.6956260204315186,
|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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"total": 1.3456131219863892,
|
| 37 |
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|
| 38 |
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"framework": 1.2845710515975952,
|
| 39 |
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|
| 40 |
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|
| 41 |
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"cdr2": 0.7735994458198547,
|
| 42 |
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"cdr3": 1.2744898796081543,
|
| 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": 668
|
| 58 |
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}
|
| 59 |
+
}
|
8vww_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8vww_H_L_A_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"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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|
| 58 |
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}
|
| 59 |
+
}
|
8weo_C__B_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
|
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|
|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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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": "8weo_C__B_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 3.168558359146118,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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"num_gt_atoms": 504,
|
| 13 |
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"num_aligned_atoms": 504,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 1.0,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
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"total": 3.168558359146118,
|
| 22 |
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|
| 23 |
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"framework": 3.2617170810699463,
|
| 24 |
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|
| 25 |
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"cdr1": 0.335696816444397,
|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
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"num_gt_atoms": 504,
|
| 37 |
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"num_aligned_atoms": 504
|
| 38 |
+
}
|
| 39 |
+
}
|
8wsn_E_F_A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
|
|
|
|
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|
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|
|
|
|
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|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8wsn_E_F_A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.0848362445831299,
|
| 7 |
+
"cdr": 1.7660840153694153,
|
| 8 |
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"framework": 0.744708776473999,
|
| 9 |
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"cdr_fw_aligned": 2.4375014305114746
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 1768,
|
| 12 |
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"num_gt_atoms": 1700,
|
| 13 |
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"num_aligned_atoms": 1700,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9615384615384616,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "E",
|
| 21 |
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"total": 1.0325971841812134,
|
| 22 |
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"cdr": 1.8099135160446167,
|
| 23 |
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"framework": 0.6811888217926025,
|
| 24 |
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"cdr_fw_aligned": 2.44911527633667,
|
| 25 |
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"cdr1": 0.497771292924881,
|
| 26 |
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"cdr2": 0.36203327775001526,
|
| 27 |
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"cdr3": 1.3128002882003784,
|
| 28 |
+
"cdr1_fw_aligned": 1.032560110092163,
|
| 29 |
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"cdr2_fw_aligned": 1.3069078922271729,
|
| 30 |
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"cdr3_fw_aligned": 3.2609667778015137,
|
| 31 |
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"num_residues": 214,
|
| 32 |
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"num_cdr_residues": 26
|
| 33 |
+
},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "F",
|
| 36 |
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"total": 1.1370753049850464,
|
| 37 |
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"cdr": 1.7222545146942139,
|
| 38 |
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"framework": 0.8082287311553955,
|
| 39 |
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"cdr_fw_aligned": 2.4258875846862793,
|
| 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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"cdr3_fw_aligned": 3.7776100635528564,
|
| 46 |
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|
| 47 |
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|
| 48 |
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},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 856
|
| 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": 844
|
| 58 |
+
}
|
| 59 |
+
}
|
8wz3_D_F_A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
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|
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|
|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8wz3_D_F_A_sample_2",
|
| 3 |
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|
| 4 |
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|
| 5 |
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|
| 6 |
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| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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|
| 19 |
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|
| 20 |
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"chain_id": "D",
|
| 21 |
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|
| 22 |
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|
| 23 |
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| 24 |
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|
| 25 |
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| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "F",
|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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| 40 |
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|
| 41 |
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| 42 |
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"cdr3": 0.757383406162262,
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| 43 |
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"cdr1_fw_aligned": 0.8401355743408203,
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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 |
+
}
|
8x9b_O_P_EI_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8x9b_O_P_EI_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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"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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|
| 58 |
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}
|
| 59 |
+
}
|
8xsl_H_L_A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8xsl_H_L_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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"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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"num_aligned_atoms": 848
|
| 58 |
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}
|
| 59 |
+
}
|
8ysf_C__B_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8ysf_C__B_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": true
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "C",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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|
| 35 |
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|
| 36 |
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"num_gt_atoms": 472,
|
| 37 |
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"num_aligned_atoms": 472
|
| 38 |
+
}
|
| 39 |
+
}
|
8zc0_H_G_A_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8zc0_H_G_A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
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"total": 4.535750389099121,
|
| 7 |
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"cdr": 2.572598934173584,
|
| 8 |
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"framework": 4.481822490692139,
|
| 9 |
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"cdr_fw_aligned": 5.39264988899231
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 3318,
|
| 12 |
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"num_gt_atoms": 3270,
|
| 13 |
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"num_aligned_atoms": 3113,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9382157926461724,
|
| 16 |
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"gt_coverage": 0.9519877675840979,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
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"total": 3.6189942359924316,
|
| 22 |
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"cdr": 3.609290599822998,
|
| 23 |
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"framework": 3.515298843383789,
|
| 24 |
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"cdr_fw_aligned": 4.724410533905029,
|
| 25 |
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"cdr1": 0.886975884437561,
|
| 26 |
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"cdr2": 1.5132229328155518,
|
| 27 |
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"cdr3": 4.355191230773926,
|
| 28 |
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"cdr1_fw_aligned": 4.215267181396484,
|
| 29 |
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"cdr2_fw_aligned": 3.8082597255706787,
|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 31
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "G",
|
| 36 |
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"total": 5.4525065422058105,
|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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"cdr2": 1.3293811082839966,
|
| 42 |
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"cdr3": 0.577297568321228,
|
| 43 |
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"cdr1_fw_aligned": 6.336276531219482,
|
| 44 |
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"cdr2_fw_aligned": 7.003869533538818,
|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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"num_gt_atoms": 1679,
|
| 52 |
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"num_aligned_atoms": 1592
|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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"num_gt_atoms": 1591,
|
| 57 |
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"num_aligned_atoms": 1521
|
| 58 |
+
}
|
| 59 |
+
}
|
8zc4_H_G_A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
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|
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|
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|
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|
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|
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|
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|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8zc4_H_G_A_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 4.744025468826294,
|
| 7 |
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"cdr": 2.1501871943473816,
|
| 8 |
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"framework": 4.642480254173279,
|
| 9 |
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"cdr_fw_aligned": 6.0909810066223145
|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9382157926461724,
|
| 16 |
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"gt_coverage": 0.9519877675840979,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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"total": 3.4484925270080566,
|
| 22 |
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"cdr": 2.8583824634552,
|
| 23 |
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"framework": 3.4169094562530518,
|
| 24 |
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"cdr_fw_aligned": 4.02937126159668,
|
| 25 |
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|
| 26 |
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"cdr2": 1.4397557973861694,
|
| 27 |
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"cdr3": 2.4008939266204834,
|
| 28 |
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"cdr1_fw_aligned": 4.235454559326172,
|
| 29 |
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"cdr2_fw_aligned": 4.4984450340271,
|
| 30 |
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|
| 31 |
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"num_residues": 221,
|
| 32 |
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"num_cdr_residues": 31
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "G",
|
| 36 |
+
"total": 6.039558410644531,
|
| 37 |
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"cdr": 1.441991925239563,
|
| 38 |
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"framework": 5.868051052093506,
|
| 39 |
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"cdr_fw_aligned": 8.15259075164795,
|
| 40 |
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|
| 41 |
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"cdr2": 1.3352257013320923,
|
| 42 |
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"cdr3": 0.8656600713729858,
|
| 43 |
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"cdr1_fw_aligned": 8.871940612792969,
|
| 44 |
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"cdr2_fw_aligned": 7.674437046051025,
|
| 45 |
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"cdr3_fw_aligned": 7.603752613067627,
|
| 46 |
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|
| 47 |
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"num_cdr_residues": 31
|
| 48 |
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},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 1592
|
| 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": 1521
|
| 58 |
+
}
|
| 59 |
+
}
|
8zer_H__G_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8zer_H__G_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
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"total": 2.5102860927581787,
|
| 7 |
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"cdr": 3.3243422508239746,
|
| 8 |
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"framework": 0.7849786877632141,
|
| 9 |
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"cdr_fw_aligned": 6.324514389038086
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 584,
|
| 12 |
+
"num_gt_atoms": 492,
|
| 13 |
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"num_aligned_atoms": 492,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.8424657534246576,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
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"total": 2.5102860927581787,
|
| 22 |
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"cdr": 3.3243422508239746,
|
| 23 |
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"framework": 0.7849786877632141,
|
| 24 |
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"cdr_fw_aligned": 6.324514389038086,
|
| 25 |
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"cdr1": 2.791332960128784,
|
| 26 |
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"cdr2": 0.1831832230091095,
|
| 27 |
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|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 0.696567177772522,
|
| 30 |
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"cdr3_fw_aligned": 7.891068935394287,
|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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"num_pred_atoms": 584,
|
| 36 |
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"num_gt_atoms": 492,
|
| 37 |
+
"num_aligned_atoms": 492
|
| 38 |
+
}
|
| 39 |
+
}
|
8zhe_H_L_A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8zhe_H_L_A_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 4.214730858802795,
|
| 7 |
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"cdr": 1.488006591796875,
|
| 8 |
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"framework": 4.168978571891785,
|
| 9 |
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|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 3561,
|
| 12 |
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"num_gt_atoms": 3247,
|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.8770008424599831,
|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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"total": 3.8591439723968506,
|
| 22 |
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|
| 23 |
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"framework": 3.764098882675171,
|
| 24 |
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|
| 25 |
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"cdr1": 0.6051574349403381,
|
| 26 |
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|
| 27 |
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"cdr3": 2.1132020950317383,
|
| 28 |
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"cdr1_fw_aligned": 5.0435662269592285,
|
| 29 |
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"cdr2_fw_aligned": 4.661880016326904,
|
| 30 |
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"cdr3_fw_aligned": 5.437407970428467,
|
| 31 |
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"num_residues": 221,
|
| 32 |
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"num_cdr_residues": 24
|
| 33 |
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},
|
| 34 |
+
"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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"total": 4.57031774520874,
|
| 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": 5.096468925476074,
|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 1525
|
| 58 |
+
}
|
| 59 |
+
}
|
8zpb_B__A_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8zpb_B__A_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
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"total": 2.184222459793091,
|
| 7 |
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"cdr": 3.3398544788360596,
|
| 8 |
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"framework": 0.40974754095077515,
|
| 9 |
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"cdr_fw_aligned": 5.157535552978516
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 480,
|
| 12 |
+
"num_gt_atoms": 464,
|
| 13 |
+
"num_aligned_atoms": 464,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9666666666666667,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
+
"total": 2.184222459793091,
|
| 22 |
+
"cdr": 3.3398544788360596,
|
| 23 |
+
"framework": 0.40974754095077515,
|
| 24 |
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"cdr_fw_aligned": 5.157535552978516,
|
| 25 |
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"cdr1": 0.49692779779434204,
|
| 26 |
+
"cdr2": 0.34797704219818115,
|
| 27 |
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"cdr3": 2.746591567993164,
|
| 28 |
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"cdr1_fw_aligned": 1.092753529548645,
|
| 29 |
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"cdr2_fw_aligned": 0.6945314407348633,
|
| 30 |
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"cdr3_fw_aligned": 7.2320709228515625,
|
| 31 |
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"num_residues": 116,
|
| 32 |
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"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
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"num_pred_atoms": 480,
|
| 36 |
+
"num_gt_atoms": 464,
|
| 37 |
+
"num_aligned_atoms": 464
|
| 38 |
+
}
|
| 39 |
+
}
|
9ctu_D_C_A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "9ctu_D_C_A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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"total": 1.3056594133377075,
|
| 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": 3723,
|
| 12 |
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"num_gt_atoms": 3290,
|
| 13 |
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|
| 14 |
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|
| 15 |
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"pred_coverage": 0.8533440773569702,
|
| 16 |
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"gt_coverage": 0.9656534954407295,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "D",
|
| 21 |
+
"total": 1.3820141553878784,
|
| 22 |
+
"cdr": 0.6609730124473572,
|
| 23 |
+
"framework": 1.3818721771240234,
|
| 24 |
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"cdr_fw_aligned": 1.4472904205322266,
|
| 25 |
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"cdr1": 0.40210574865341187,
|
| 26 |
+
"cdr2": 0.555384635925293,
|
| 27 |
+
"cdr3": 0.5162843465805054,
|
| 28 |
+
"cdr1_fw_aligned": 1.6058298349380493,
|
| 29 |
+
"cdr2_fw_aligned": 1.2208808660507202,
|
| 30 |
+
"cdr3_fw_aligned": 1.4879224300384521,
|
| 31 |
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"num_residues": 213,
|
| 32 |
+
"num_cdr_residues": 17
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "C",
|
| 36 |
+
"total": 1.2293046712875366,
|
| 37 |
+
"cdr": 1.068157434463501,
|
| 38 |
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"framework": 1.237166166305542,
|
| 39 |
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"cdr_fw_aligned": 1.1770116090774536,
|
| 40 |
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"cdr1": 1.1421071290969849,
|
| 41 |
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"cdr2": 0.37422969937324524,
|
| 42 |
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"cdr3": 0.9390674233436584,
|
| 43 |
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"cdr1_fw_aligned": 1.4166617393493652,
|
| 44 |
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"cdr2_fw_aligned": 0.5332304239273071,
|
| 45 |
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"cdr3_fw_aligned": 1.0689367055892944,
|
| 46 |
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"num_residues": 218,
|
| 47 |
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"num_cdr_residues": 31
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 1923,
|
| 51 |
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"num_gt_atoms": 1606,
|
| 52 |
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"num_aligned_atoms": 1561
|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 1684,
|
| 57 |
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"num_aligned_atoms": 1616
|
| 58 |
+
}
|
| 59 |
+
}
|
9fkd_H_L_B_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
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|
|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "9fkd_H_L_B_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 4.541360974311829,
|
| 7 |
+
"cdr": 0.5226138383150101,
|
| 8 |
+
"framework": 4.235082149505615,
|
| 9 |
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"cdr_fw_aligned": 7.356982707977295
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1844,
|
| 12 |
+
"num_gt_atoms": 1752,
|
| 13 |
+
"num_aligned_atoms": 1752,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9501084598698482,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 5.185187339782715,
|
| 22 |
+
"cdr": 0.4721314013004303,
|
| 23 |
+
"framework": 4.899219512939453,
|
| 24 |
+
"cdr_fw_aligned": 7.948226451873779,
|
| 25 |
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"cdr1": 0.4694850444793701,
|
| 26 |
+
"cdr2": 0.3351685106754303,
|
| 27 |
+
"cdr3": 0.4086509048938751,
|
| 28 |
+
"cdr1_fw_aligned": 9.626864433288574,
|
| 29 |
+
"cdr2_fw_aligned": 8.338884353637695,
|
| 30 |
+
"cdr3_fw_aligned": 6.22132682800293,
|
| 31 |
+
"num_residues": 218,
|
| 32 |
+
"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 3.8975346088409424,
|
| 37 |
+
"cdr": 0.5730962753295898,
|
| 38 |
+
"framework": 3.5709447860717773,
|
| 39 |
+
"cdr_fw_aligned": 6.7657389640808105,
|
| 40 |
+
"cdr1": 0.5425811409950256,
|
| 41 |
+
"cdr2": 0.36692798137664795,
|
| 42 |
+
"cdr3": 0.37843644618988037,
|
| 43 |
+
"cdr1_fw_aligned": 8.018685340881348,
|
| 44 |
+
"cdr2_fw_aligned": 5.823060512542725,
|
| 45 |
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"cdr3_fw_aligned": 4.94406270980835,
|
| 46 |
+
"num_residues": 220,
|
| 47 |
+
"num_cdr_residues": 33
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 956,
|
| 51 |
+
"num_gt_atoms": 872,
|
| 52 |
+
"num_aligned_atoms": 872
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 888,
|
| 56 |
+
"num_gt_atoms": 880,
|
| 57 |
+
"num_aligned_atoms": 880
|
| 58 |
+
}
|
| 59 |
+
}
|
9fzc_C__A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "9fzc_C__A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.7190532684326172,
|
| 7 |
+
"cdr": 3.2871878147125244,
|
| 8 |
+
"framework": 1.116940975189209,
|
| 9 |
+
"cdr_fw_aligned": 3.5445148944854736
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 916,
|
| 12 |
+
"num_gt_atoms": 908,
|
| 13 |
+
"num_aligned_atoms": 848,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.925764192139738,
|
| 16 |
+
"gt_coverage": 0.933920704845815,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
+
"total": 1.7190532684326172,
|
| 22 |
+
"cdr": 3.2871878147125244,
|
| 23 |
+
"framework": 1.116940975189209,
|
| 24 |
+
"cdr_fw_aligned": 3.5445148944854736,
|
| 25 |
+
"cdr1": 0.9888370633125305,
|
| 26 |
+
"cdr2": 0.1837799996137619,
|
| 27 |
+
"cdr3": 1.799950122833252,
|
| 28 |
+
"cdr1_fw_aligned": 1.6162912845611572,
|
| 29 |
+
"cdr2_fw_aligned": 0.7856726050376892,
|
| 30 |
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"cdr3_fw_aligned": 5.083852767944336,
|
| 31 |
+
"num_residues": 117,
|
| 32 |
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"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 916,
|
| 36 |
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"num_gt_atoms": 908,
|
| 37 |
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"num_aligned_atoms": 848
|
| 38 |
+
}
|
| 39 |
+
}
|