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- 7vgs_D_C_A_sample_0_rmsd.json +59 -0
- 7vgs_D_C_A_sample_1_rmsd.json +59 -0
- 7vgs_D_C_A_sample_2_rmsd.json +59 -0
- 7vgs_D_C_A_sample_2_rmsd_backbone.json +59 -0
- 7vgs_D_C_A_sample_3_rmsd.json +59 -0
- 7vgs_D_C_A_sample_3_rmsd_backbone.json +59 -0
- 8euq_C_D_AB_sample_3_rmsd_backbone.json +59 -0
- 8q7o_A__C_sample_0_rmsd.json +39 -0
- 8q7o_A__C_sample_1_rmsd.json +39 -0
- 8q7o_A__C_sample_2_rmsd.json +39 -0
- 8q7s_F__D_sample_4_rmsd.json +39 -0
- 8q94_C__A_sample_2_rmsd_backbone.json +39 -0
- 8q94_C__A_sample_3_rmsd_backbone.json +39 -0
- 8qf5_G__H_sample_0_rmsd_backbone.json +39 -0
- 8qf5_G__H_sample_1_rmsd_backbone.json +39 -0
- 8qf5_G__H_sample_4_rmsd.json +39 -0
- 8qot_B__A_sample_1_rmsd_backbone.json +39 -0
- 8qot_B__A_sample_4_rmsd.json +39 -0
- 8qq0_E_D_A_sample_4_rmsd_backbone.json +59 -0
- 8qz1_C__B_sample_0_rmsd_backbone.json +39 -0
- 8qz1_C__B_sample_1_rmsd_backbone.json +39 -0
- 8qz1_C__B_sample_2_rmsd.json +39 -0
- 8qz1_C__B_sample_3_rmsd.json +39 -0
- 8qz3_C__B_sample_4_rmsd.json +39 -0
- 8qz7_B__A_sample_2_rmsd_backbone.json +39 -0
- 8qz7_B__A_sample_3_rmsd_backbone.json +39 -0
- 8qz7_B__A_sample_4_rmsd.json +39 -0
- 8r1c_H_L_A_sample_0_rmsd.json +59 -0
- 8r1c_H_L_A_sample_1_rmsd.json +59 -0
- 8r1c_H_L_A_sample_2_rmsd.json +59 -0
- 8r1c_H_L_A_sample_2_rmsd_backbone.json +59 -0
- 8r1c_H_L_A_sample_3_rmsd.json +59 -0
- 8r40_A_a_C_sample_0_rmsd_backbone.json +59 -0
- 8r40_A_a_C_sample_1_rmsd_backbone.json +59 -0
- 8r4b_B__A_sample_0_rmsd.json +39 -0
- 8r4b_B__A_sample_0_rmsd_backbone.json +39 -0
- 8r4b_B__A_sample_1_rmsd.json +39 -0
- 8r4b_B__A_sample_2_rmsd.json +39 -0
- 8r4b_B__A_sample_3_rmsd.json +39 -0
- 8r4d_B__A_sample_0_rmsd_backbone.json +39 -0
- 8r4d_B__A_sample_1_rmsd_backbone.json +39 -0
- 8r4d_B__A_sample_4_rmsd.json +39 -0
- 8r80_H_L_R_sample_2_rmsd_backbone.json +59 -0
- 8r80_H_L_R_sample_3_rmsd_backbone.json +59 -0
- 8r8k_H_L_A_sample_0_rmsd.json +59 -0
- 8r8k_H_L_A_sample_1_rmsd.json +59 -0
- 8r8k_H_L_A_sample_3_rmsd.json +59 -0
- 8r9y_H_L_A_sample_0_rmsd_backbone.json +59 -0
- 8r9z_B_C_A_sample_4_rmsd.json +59 -0
- 8r9z_H_L_A_sample_0_rmsd_backbone.json +59 -0
7vgs_D_C_A_sample_0_rmsd.json
ADDED
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{
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"num_residues": 213,
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"light_chain": {
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7vgs_D_C_A_sample_1_rmsd.json
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}
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7vgs_D_C_A_sample_2_rmsd.json
ADDED
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| 58 |
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| 59 |
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}
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7vgs_D_C_A_sample_2_rmsd_backbone.json
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{
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"entry": "7vgs_D_C_A_sample_2",
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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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| 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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|
7vgs_D_C_A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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|
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|
| 1 |
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{
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| 2 |
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| 3 |
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| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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| 15 |
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| 16 |
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| 17 |
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|
| 18 |
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|
| 19 |
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| 20 |
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| 21 |
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| 22 |
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| 23 |
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| 24 |
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| 25 |
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| 26 |
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| 27 |
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|
| 28 |
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| 29 |
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| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 41 |
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| 42 |
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| 43 |
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| 44 |
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|
| 45 |
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| 46 |
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| 47 |
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|
| 48 |
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|
| 49 |
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| 50 |
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|
| 51 |
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| 52 |
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| 53 |
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| 54 |
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|
| 55 |
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|
| 56 |
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| 57 |
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|
| 58 |
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}
|
| 59 |
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|
7vgs_D_C_A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
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|
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|
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|
|
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|
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|
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|
|
|
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|
| 1 |
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{
|
| 2 |
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|
| 3 |
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| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 8 |
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|
| 10 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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| 15 |
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| 16 |
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| 17 |
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|
| 18 |
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| 19 |
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| 20 |
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| 21 |
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| 22 |
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|
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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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| 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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| 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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}
|
8euq_C_D_AB_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
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|
|
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|
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|
|
|
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|
|
|
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|
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|
|
|
|
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|
|
|
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|
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|
|
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|
|
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|
| 1 |
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{
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| 2 |
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| 3 |
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| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 10 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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| 16 |
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|
| 17 |
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|
| 18 |
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| 19 |
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| 20 |
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| 21 |
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| 22 |
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|
| 28 |
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|
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| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 48 |
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|
| 49 |
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| 53 |
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| 57 |
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|
| 58 |
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}
|
| 59 |
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|
8q7o_A__C_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
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|
|
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|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8q7o_A__C_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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|
| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 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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|
| 26 |
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|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 1.266671061515808,
|
| 29 |
+
"cdr2_fw_aligned": 0.6990803480148315,
|
| 30 |
+
"cdr3_fw_aligned": 1.5007662773132324,
|
| 31 |
+
"num_residues": 120,
|
| 32 |
+
"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 894,
|
| 36 |
+
"num_gt_atoms": 904,
|
| 37 |
+
"num_aligned_atoms": 857
|
| 38 |
+
}
|
| 39 |
+
}
|
8q7o_A__C_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
|
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|
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|
|
|
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|
|
|
|
|
|
|
|
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|
|
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|
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|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8q7o_A__C_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.0353796482086182,
|
| 7 |
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"cdr": 1.096774935722351,
|
| 8 |
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"framework": 1.0015270709991455,
|
| 9 |
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"cdr_fw_aligned": 1.2560040950775146
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 894,
|
| 12 |
+
"num_gt_atoms": 904,
|
| 13 |
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"num_aligned_atoms": 857,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9586129753914989,
|
| 16 |
+
"gt_coverage": 0.9480088495575221,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "A",
|
| 21 |
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"total": 1.0353796482086182,
|
| 22 |
+
"cdr": 1.096774935722351,
|
| 23 |
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"framework": 1.0015270709991455,
|
| 24 |
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"cdr_fw_aligned": 1.2560040950775146,
|
| 25 |
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"cdr1": 0.571321964263916,
|
| 26 |
+
"cdr2": 0.26180002093315125,
|
| 27 |
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"cdr3": 0.9099993705749512,
|
| 28 |
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"cdr1_fw_aligned": 1.1843845844268799,
|
| 29 |
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"cdr2_fw_aligned": 0.896180272102356,
|
| 30 |
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"cdr3_fw_aligned": 1.3944824934005737,
|
| 31 |
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"num_residues": 120,
|
| 32 |
+
"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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"num_pred_atoms": 894,
|
| 36 |
+
"num_gt_atoms": 904,
|
| 37 |
+
"num_aligned_atoms": 857
|
| 38 |
+
}
|
| 39 |
+
}
|
8q7o_A__C_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
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|
|
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|
|
|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8q7o_A__C_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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"framework": 1.0643675327301025,
|
| 9 |
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"cdr_fw_aligned": 1.315994381904602
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 894,
|
| 12 |
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"num_gt_atoms": 904,
|
| 13 |
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"num_aligned_atoms": 857,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9586129753914989,
|
| 16 |
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"gt_coverage": 0.9480088495575221,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "A",
|
| 21 |
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"total": 1.0850692987442017,
|
| 22 |
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"cdr": 0.9522493481636047,
|
| 23 |
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"framework": 1.0643675327301025,
|
| 24 |
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"cdr_fw_aligned": 1.315994381904602,
|
| 25 |
+
"cdr1": 0.5519526600837708,
|
| 26 |
+
"cdr2": 0.352696031332016,
|
| 27 |
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"cdr3": 0.8607369661331177,
|
| 28 |
+
"cdr1_fw_aligned": 0.6158458590507507,
|
| 29 |
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"cdr2_fw_aligned": 0.6726597547531128,
|
| 30 |
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"cdr3_fw_aligned": 1.6941466331481934,
|
| 31 |
+
"num_residues": 120,
|
| 32 |
+
"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 894,
|
| 36 |
+
"num_gt_atoms": 904,
|
| 37 |
+
"num_aligned_atoms": 857
|
| 38 |
+
}
|
| 39 |
+
}
|
8q7s_F__D_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
|
|
|
|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8q7s_F__D_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.7368782758712769,
|
| 7 |
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|
| 8 |
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"framework": 1.0290225744247437,
|
| 9 |
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"cdr_fw_aligned": 3.281179666519165
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 949,
|
| 12 |
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"num_gt_atoms": 966,
|
| 13 |
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"num_aligned_atoms": 916,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9652265542676501,
|
| 16 |
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"gt_coverage": 0.94824016563147,
|
| 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": "F",
|
| 21 |
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"total": 1.7368782758712769,
|
| 22 |
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"cdr": 2.7580783367156982,
|
| 23 |
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"framework": 1.0290225744247437,
|
| 24 |
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"cdr_fw_aligned": 3.281179666519165,
|
| 25 |
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"cdr1": 3.5454726219177246,
|
| 26 |
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"cdr2": 0.6577895283699036,
|
| 27 |
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"cdr3": 1.9515950679779053,
|
| 28 |
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"cdr1_fw_aligned": 6.060519218444824,
|
| 29 |
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"cdr2_fw_aligned": 1.2301565408706665,
|
| 30 |
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"cdr3_fw_aligned": 2.146897077560425,
|
| 31 |
+
"num_residues": 128,
|
| 32 |
+
"num_cdr_residues": 32
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 949,
|
| 36 |
+
"num_gt_atoms": 966,
|
| 37 |
+
"num_aligned_atoms": 916
|
| 38 |
+
}
|
| 39 |
+
}
|
8q94_C__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": "8q94_C__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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"num_pred_atoms": 528,
|
| 12 |
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"num_gt_atoms": 508,
|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
+
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|
| 16 |
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|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "C",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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"cdr_fw_aligned": 2.1946804523468018,
|
| 25 |
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"cdr1": 1.6662813425064087,
|
| 26 |
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"cdr2": 0.33242493867874146,
|
| 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": 32
|
| 33 |
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},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
+
"num_gt_atoms": 508,
|
| 37 |
+
"num_aligned_atoms": 508
|
| 38 |
+
}
|
| 39 |
+
}
|
8q94_C__A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8q94_C__A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.496404767036438,
|
| 7 |
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"cdr": 2.0568909645080566,
|
| 8 |
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|
| 9 |
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"cdr_fw_aligned": 2.7660210132598877
|
| 10 |
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},
|
| 11 |
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|
| 12 |
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"num_gt_atoms": 508,
|
| 13 |
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"num_aligned_atoms": 508,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9621212121212122,
|
| 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": "C",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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"cdr_fw_aligned": 2.7660210132598877,
|
| 25 |
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"cdr1": 1.8270180225372314,
|
| 26 |
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"cdr2": 0.44214731454849243,
|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
+
"num_cdr_residues": 32
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
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"num_pred_atoms": 528,
|
| 36 |
+
"num_gt_atoms": 508,
|
| 37 |
+
"num_aligned_atoms": 508
|
| 38 |
+
}
|
| 39 |
+
}
|
8qf5_G__H_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
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|
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|
|
|
|
|
|
|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qf5_G__H_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.673441171646118,
|
| 7 |
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"cdr": 3.416404962539673,
|
| 8 |
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"framework": 1.7019356489181519,
|
| 9 |
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"cdr_fw_aligned": 5.700876712799072
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 480,
|
| 12 |
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"num_gt_atoms": 480,
|
| 13 |
+
"num_aligned_atoms": 480,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 1.0,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "G",
|
| 21 |
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"total": 2.673441171646118,
|
| 22 |
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"cdr": 3.416404962539673,
|
| 23 |
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"framework": 1.7019356489181519,
|
| 24 |
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"cdr_fw_aligned": 5.700876712799072,
|
| 25 |
+
"cdr1": 2.5101606845855713,
|
| 26 |
+
"cdr2": 0.15370367467403412,
|
| 27 |
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"cdr3": 2.856877565383911,
|
| 28 |
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"cdr1_fw_aligned": 3.2955498695373535,
|
| 29 |
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"cdr2_fw_aligned": 0.5816899538040161,
|
| 30 |
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"cdr3_fw_aligned": 7.983002185821533,
|
| 31 |
+
"num_residues": 120,
|
| 32 |
+
"num_cdr_residues": 22
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 480,
|
| 36 |
+
"num_gt_atoms": 480,
|
| 37 |
+
"num_aligned_atoms": 480
|
| 38 |
+
}
|
| 39 |
+
}
|
8qf5_G__H_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qf5_G__H_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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|
| 5 |
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|
| 6 |
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|
| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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"num_gt_atoms": 480,
|
| 13 |
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"num_aligned_atoms": 480,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 1.0,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "G",
|
| 21 |
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|
| 22 |
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|
| 23 |
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"framework": 1.889823317527771,
|
| 24 |
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"cdr_fw_aligned": 5.3700852394104,
|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 0.5240671634674072,
|
| 30 |
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"cdr3_fw_aligned": 7.445460796356201,
|
| 31 |
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|
| 32 |
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"num_cdr_residues": 22
|
| 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": 480,
|
| 37 |
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"num_aligned_atoms": 480
|
| 38 |
+
}
|
| 39 |
+
}
|
8qf5_G__H_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
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|
|
|
|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qf5_G__H_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.941721200942993,
|
| 7 |
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|
| 8 |
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"framework": 1.9948500394821167,
|
| 9 |
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"cdr_fw_aligned": 6.555598735809326
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 875,
|
| 12 |
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"num_gt_atoms": 894,
|
| 13 |
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"num_aligned_atoms": 862,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9851428571428571,
|
| 16 |
+
"gt_coverage": 0.9642058165548099,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "G",
|
| 21 |
+
"total": 2.941721200942993,
|
| 22 |
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"cdr": 4.029792785644531,
|
| 23 |
+
"framework": 1.9948500394821167,
|
| 24 |
+
"cdr_fw_aligned": 6.555598735809326,
|
| 25 |
+
"cdr1": 1.6371310949325562,
|
| 26 |
+
"cdr2": 0.2326197326183319,
|
| 27 |
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"cdr3": 3.5641465187072754,
|
| 28 |
+
"cdr1_fw_aligned": 3.1300671100616455,
|
| 29 |
+
"cdr2_fw_aligned": 0.6169722676277161,
|
| 30 |
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"cdr3_fw_aligned": 9.140729904174805,
|
| 31 |
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|
| 32 |
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"num_cdr_residues": 22
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 875,
|
| 36 |
+
"num_gt_atoms": 894,
|
| 37 |
+
"num_aligned_atoms": 862
|
| 38 |
+
}
|
| 39 |
+
}
|
8qot_B__A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
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|
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|
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|
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|
|
|
|
|
|
|
|
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|
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|
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|
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|
|
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|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qot_B__A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.595180630683899,
|
| 7 |
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"cdr": 2.0300934314727783,
|
| 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": 500,
|
| 13 |
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"num_aligned_atoms": 500,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 1.8019829988479614,
|
| 29 |
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"cdr2_fw_aligned": 0.9007869362831116,
|
| 30 |
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"cdr3_fw_aligned": 4.400404930114746,
|
| 31 |
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|
| 32 |
+
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|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
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|
| 36 |
+
"num_gt_atoms": 500,
|
| 37 |
+
"num_aligned_atoms": 500
|
| 38 |
+
}
|
| 39 |
+
}
|
8qot_B__A_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qot_B__A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
+
}
|
| 39 |
+
}
|
8qq0_E_D_A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8qq0_E_D_A_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "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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"cdr1": 0.5539823770523071,
|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
+
"num_residues": 120,
|
| 32 |
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"num_cdr_residues": 26
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
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"chain_id": "D",
|
| 36 |
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"total": 2.0016446113586426,
|
| 37 |
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"cdr": 3.0478978157043457,
|
| 38 |
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"framework": 0.9924501180648804,
|
| 39 |
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"cdr_fw_aligned": 3.535799741744995,
|
| 40 |
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"cdr1": 4.024781703948975,
|
| 41 |
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"cdr2": 0.46001458168029785,
|
| 42 |
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"cdr3": 0.682934582233429,
|
| 43 |
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"cdr1_fw_aligned": 4.777120590209961,
|
| 44 |
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"cdr2_fw_aligned": 1.2182672023773193,
|
| 45 |
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"cdr3_fw_aligned": 2.4015719890594482,
|
| 46 |
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|
| 47 |
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"num_cdr_residues": 31
|
| 48 |
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},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 916,
|
| 51 |
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|
| 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": 444
|
| 58 |
+
}
|
| 59 |
+
}
|
8qz1_C__B_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz1_C__B_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.4423977136611938,
|
| 7 |
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"cdr": 1.7142231464385986,
|
| 8 |
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"framework": 1.1963517665863037,
|
| 9 |
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"cdr_fw_aligned": 2.2262327671051025
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 544,
|
| 12 |
+
"num_gt_atoms": 516,
|
| 13 |
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"num_aligned_atoms": 516,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9485294117647058,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
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"total": 1.4423977136611938,
|
| 22 |
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"cdr": 1.7142231464385986,
|
| 23 |
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"framework": 1.1963517665863037,
|
| 24 |
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"cdr_fw_aligned": 2.2262327671051025,
|
| 25 |
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"cdr1": 2.2740330696105957,
|
| 26 |
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"cdr2": 0.27347368001937866,
|
| 27 |
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"cdr3": 0.8990104794502258,
|
| 28 |
+
"cdr1_fw_aligned": 3.6814827919006348,
|
| 29 |
+
"cdr2_fw_aligned": 2.148270845413208,
|
| 30 |
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"cdr3_fw_aligned": 1.2395342588424683,
|
| 31 |
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"num_residues": 129,
|
| 32 |
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"num_cdr_residues": 30
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 544,
|
| 36 |
+
"num_gt_atoms": 516,
|
| 37 |
+
"num_aligned_atoms": 516
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz1_C__B_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
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|
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|
|
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|
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|
|
|
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|
|
|
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|
|
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|
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|
|
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|
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|
|
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|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz1_C__B_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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|
| 6 |
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"total": 1.4146215915679932,
|
| 7 |
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|
| 8 |
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"framework": 1.1267573833465576,
|
| 9 |
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"cdr_fw_aligned": 2.3786802291870117
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 544,
|
| 12 |
+
"num_gt_atoms": 516,
|
| 13 |
+
"num_aligned_atoms": 516,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9485294117647058,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "C",
|
| 21 |
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"total": 1.4146215915679932,
|
| 22 |
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"cdr": 1.6921309232711792,
|
| 23 |
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"framework": 1.1267573833465576,
|
| 24 |
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"cdr_fw_aligned": 2.3786802291870117,
|
| 25 |
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"cdr1": 2.3711273670196533,
|
| 26 |
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"cdr2": 0.23954015970230103,
|
| 27 |
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"cdr3": 0.6767531037330627,
|
| 28 |
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"cdr1_fw_aligned": 3.8491928577423096,
|
| 29 |
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"cdr2_fw_aligned": 1.8825684785842896,
|
| 30 |
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"cdr3_fw_aligned": 1.6227316856384277,
|
| 31 |
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"num_residues": 129,
|
| 32 |
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"num_cdr_residues": 30
|
| 33 |
+
},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 544,
|
| 36 |
+
"num_gt_atoms": 516,
|
| 37 |
+
"num_aligned_atoms": 516
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz1_C__B_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
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|
|
|
|
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|
|
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|
|
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|
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|
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|
|
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|
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|
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|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8qz1_C__B_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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"framework": 1.888395071029663,
|
| 9 |
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"cdr_fw_aligned": 2.872861623764038
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 1001,
|
| 12 |
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"num_gt_atoms": 935,
|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.8891108891108891,
|
| 16 |
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"gt_coverage": 0.9518716577540107,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "C",
|
| 21 |
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"total": 2.06589674949646,
|
| 22 |
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"cdr": 2.3488197326660156,
|
| 23 |
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"framework": 1.888395071029663,
|
| 24 |
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"cdr_fw_aligned": 2.872861623764038,
|
| 25 |
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"cdr1": 2.683589220046997,
|
| 26 |
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"cdr2": 1.8858916759490967,
|
| 27 |
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"cdr3": 1.0668790340423584,
|
| 28 |
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"cdr1_fw_aligned": 4.0893425941467285,
|
| 29 |
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"cdr2_fw_aligned": 3.7196810245513916,
|
| 30 |
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"cdr3_fw_aligned": 1.7658294439315796,
|
| 31 |
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"num_residues": 129,
|
| 32 |
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"num_cdr_residues": 30
|
| 33 |
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},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 1001,
|
| 36 |
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"num_gt_atoms": 935,
|
| 37 |
+
"num_aligned_atoms": 890
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz1_C__B_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8qz1_C__B_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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"num_pred_atoms": 1001,
|
| 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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"total": 1.8475143909454346,
|
| 22 |
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| 23 |
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|
| 24 |
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"cdr_fw_aligned": 2.870622396469116,
|
| 25 |
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"cdr1": 2.574702739715576,
|
| 26 |
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"cdr2": 1.833541750907898,
|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 4.154860496520996,
|
| 29 |
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|
| 30 |
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"cdr3_fw_aligned": 1.6868913173675537,
|
| 31 |
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"num_residues": 129,
|
| 32 |
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"num_cdr_residues": 30
|
| 33 |
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},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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"num_pred_atoms": 1001,
|
| 36 |
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"num_gt_atoms": 935,
|
| 37 |
+
"num_aligned_atoms": 890
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz3_C__B_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz3_C__B_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 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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"cdr1": 1.7091394662857056,
|
| 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": 913
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz7_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz7_B__A_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
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| 6 |
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|
| 7 |
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| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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"num_gt_atoms": 496,
|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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|
| 22 |
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|
| 23 |
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"framework": 0.6586018204689026,
|
| 24 |
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|
| 25 |
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"cdr1": 0.462242066860199,
|
| 26 |
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"cdr2": 0.2373531013727188,
|
| 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 |
+
"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
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|
| 37 |
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"num_aligned_atoms": 496
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz7_B__A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
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|
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|
|
|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
|
|
|
|
|
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|
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|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
| 1 |
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{
|
| 2 |
+
"entry": "8qz7_B__A_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 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": 496,
|
| 13 |
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"num_aligned_atoms": 496,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9117647058823529,
|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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"cdr_fw_aligned": 2.2482614517211914,
|
| 25 |
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"cdr1": 0.3987036347389221,
|
| 26 |
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"cdr2": 0.20389626920223236,
|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 0.7680609822273254,
|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 30
|
| 33 |
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},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
+
"num_gt_atoms": 496,
|
| 37 |
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"num_aligned_atoms": 496
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz7_B__A_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
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| 1 |
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{
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| 2 |
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"entry": "8qz7_B__A_sample_4",
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| 3 |
+
"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": 1.5797408819198608,
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| 7 |
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"cdr": 2.4127917289733887,
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| 8 |
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"framework": 1.065209984779358,
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| 9 |
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"cdr_fw_aligned": 2.8828611373901367
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| 10 |
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},
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| 11 |
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"num_pred_atoms": 1016,
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| 12 |
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"num_gt_atoms": 911,
|
| 13 |
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"num_aligned_atoms": 860,
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| 14 |
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"alignment_coverage": {
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| 15 |
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"pred_coverage": 0.8464566929133859,
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| 16 |
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"gt_coverage": 0.9440175631174533,
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| 17 |
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"full_coverage": false
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| 18 |
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},
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| 19 |
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"heavy_chain": {
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| 20 |
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"chain_id": "B",
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| 21 |
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"total": 1.5797408819198608,
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| 22 |
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"cdr": 2.4127917289733887,
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| 23 |
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"framework": 1.065209984779358,
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| 24 |
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"cdr_fw_aligned": 2.8828611373901367,
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| 25 |
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"cdr1": 1.7495596408843994,
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| 26 |
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"cdr2": 0.3072880506515503,
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| 27 |
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"cdr3": 2.1822755336761475,
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| 28 |
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"cdr1_fw_aligned": 2.252856969833374,
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| 29 |
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"cdr2_fw_aligned": 0.46580207347869873,
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| 30 |
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"cdr3_fw_aligned": 3.646892786026001,
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| 31 |
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"num_residues": 124,
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| 32 |
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"num_cdr_residues": 30
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| 33 |
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},
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| 34 |
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"heavy_chain_atom_counts": {
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| 35 |
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"num_pred_atoms": 1016,
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| 36 |
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"num_gt_atoms": 911,
|
| 37 |
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"num_aligned_atoms": 860
|
| 38 |
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}
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| 39 |
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}
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8r1c_H_L_A_sample_0_rmsd.json
ADDED
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@@ -0,0 +1,59 @@
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| 1 |
+
{
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| 2 |
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"entry": "8r1c_H_L_A_sample_0",
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| 3 |
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"success": true,
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| 4 |
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"error": null,
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| 5 |
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"rmsd": {
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| 6 |
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"total": 1.511606365442276,
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| 7 |
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"cdr": 2.369828909635544,
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| 8 |
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"framework": 1.0235251188278198,
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| 9 |
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"cdr_fw_aligned": 2.636938452720642
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| 10 |
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},
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| 11 |
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"num_pred_atoms": 1686,
|
| 12 |
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"num_gt_atoms": 1726,
|
| 13 |
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"num_aligned_atoms": 1647,
|
| 14 |
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"alignment_coverage": {
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| 15 |
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"pred_coverage": 0.9768683274021353,
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| 16 |
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"gt_coverage": 0.9542294322132098,
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| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
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| 20 |
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"chain_id": "H",
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| 21 |
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"total": 2.0375754833221436,
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| 22 |
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"cdr": 3.96990966796875,
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| 23 |
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"framework": 1.0252504348754883,
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| 24 |
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"cdr_fw_aligned": 4.372903347015381,
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| 25 |
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"cdr1": 0.7069905996322632,
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"cdr2": 0.32963159680366516,
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"cdr3": 4.945927143096924,
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| 28 |
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"cdr1_fw_aligned": 0.8283659815788269,
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"cdr2_fw_aligned": 0.6413630247116089,
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| 30 |
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"cdr3_fw_aligned": 6.153926372528076,
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| 31 |
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"num_residues": 124,
|
| 32 |
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"num_cdr_residues": 28
|
| 33 |
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},
|
| 34 |
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"light_chain": {
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| 35 |
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"chain_id": "L",
|
| 36 |
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"total": 0.9856372475624084,
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| 37 |
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"cdr": 0.7697481513023376,
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| 38 |
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"framework": 1.0217998027801514,
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| 39 |
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"cdr_fw_aligned": 0.9009735584259033,
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| 40 |
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"cdr1": 0.6385877728462219,
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| 41 |
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"cdr2": 0.40847107768058777,
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| 42 |
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"cdr3": 0.8808740377426147,
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| 43 |
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"cdr1_fw_aligned": 0.8883970379829407,
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| 44 |
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"cdr2_fw_aligned": 0.7347796559333801,
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| 45 |
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"cdr3_fw_aligned": 1.0075104236602783,
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| 46 |
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"num_residues": 109,
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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": {
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| 50 |
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"num_pred_atoms": 910,
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| 51 |
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"num_gt_atoms": 931,
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| 52 |
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"num_aligned_atoms": 896
|
| 53 |
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},
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| 54 |
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"light_chain_atom_counts": {
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| 55 |
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"num_pred_atoms": 776,
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| 56 |
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"num_gt_atoms": 795,
|
| 57 |
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"num_aligned_atoms": 751
|
| 58 |
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}
|
| 59 |
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}
|
8r1c_H_L_A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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|
| 1 |
+
{
|
| 2 |
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"entry": "8r1c_H_L_A_sample_1",
|
| 3 |
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"success": true,
|
| 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": 1.3872137367725372,
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| 7 |
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"cdr": 2.175700068473816,
|
| 8 |
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|
| 9 |
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"cdr_fw_aligned": 2.3271452486515045
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 1686,
|
| 12 |
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"num_gt_atoms": 1726,
|
| 13 |
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"num_aligned_atoms": 1647,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9768683274021353,
|
| 16 |
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"gt_coverage": 0.9542294322132098,
|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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"total": 1.817814588546753,
|
| 22 |
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"cdr": 3.5731067657470703,
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| 23 |
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"framework": 0.9864282608032227,
|
| 24 |
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"cdr_fw_aligned": 3.783198356628418,
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| 25 |
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"cdr1": 0.4819616973400116,
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| 26 |
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"cdr2": 0.29369282722473145,
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| 27 |
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"cdr3": 4.804322719573975,
|
| 28 |
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"cdr1_fw_aligned": 0.693231463432312,
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| 29 |
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"cdr2_fw_aligned": 0.4434443712234497,
|
| 30 |
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"cdr3_fw_aligned": 5.3294477462768555,
|
| 31 |
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"num_residues": 124,
|
| 32 |
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"num_cdr_residues": 28
|
| 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": 0.9566128849983215,
|
| 37 |
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"cdr": 0.7782933712005615,
|
| 38 |
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"framework": 0.9898648858070374,
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| 39 |
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| 40 |
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"cdr1": 0.7312130928039551,
|
| 41 |
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"cdr2": 0.41938793659210205,
|
| 42 |
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"cdr3": 0.9047173857688904,
|
| 43 |
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"cdr1_fw_aligned": 0.8565454483032227,
|
| 44 |
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"cdr2_fw_aligned": 0.6115213632583618,
|
| 45 |
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"cdr3_fw_aligned": 1.018966794013977,
|
| 46 |
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"num_residues": 109,
|
| 47 |
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"num_cdr_residues": 31
|
| 48 |
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},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 910,
|
| 51 |
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"num_gt_atoms": 931,
|
| 52 |
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"num_aligned_atoms": 896
|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 776,
|
| 56 |
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"num_gt_atoms": 795,
|
| 57 |
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"num_aligned_atoms": 751
|
| 58 |
+
}
|
| 59 |
+
}
|
8r1c_H_L_A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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| 1 |
+
{
|
| 2 |
+
"entry": "8r1c_H_L_A_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.4820789694786072,
|
| 7 |
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"cdr": 2.2592028081417084,
|
| 8 |
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"framework": 1.0022649466991425,
|
| 9 |
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"cdr_fw_aligned": 2.630149781703949
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 1686,
|
| 12 |
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"num_gt_atoms": 1726,
|
| 13 |
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"num_aligned_atoms": 1647,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9768683274021353,
|
| 16 |
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"gt_coverage": 0.9542294322132098,
|
| 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": 2.0069448947906494,
|
| 22 |
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"cdr": 3.915175676345825,
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| 23 |
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"framework": 1.013377070426941,
|
| 24 |
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|
| 25 |
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"cdr1": 0.7063263654708862,
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| 26 |
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"cdr2": 0.3298977017402649,
|
| 27 |
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"cdr3": 4.8614726066589355,
|
| 28 |
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"cdr1_fw_aligned": 0.9919105768203735,
|
| 29 |
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"cdr2_fw_aligned": 0.6780363321304321,
|
| 30 |
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"cdr3_fw_aligned": 6.058866500854492,
|
| 31 |
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"num_residues": 124,
|
| 32 |
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"num_cdr_residues": 28
|
| 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": 0.9572130441665649,
|
| 37 |
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"cdr": 0.6032299399375916,
|
| 38 |
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"framework": 0.991152822971344,
|
| 39 |
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"cdr_fw_aligned": 0.9409397840499878,
|
| 40 |
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"cdr1": 0.6121712327003479,
|
| 41 |
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"cdr2": 0.4319097399711609,
|
| 42 |
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"cdr3": 0.595747709274292,
|
| 43 |
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"cdr1_fw_aligned": 0.9718809127807617,
|
| 44 |
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"cdr2_fw_aligned": 0.7395749688148499,
|
| 45 |
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"cdr3_fw_aligned": 1.0149704217910767,
|
| 46 |
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"num_residues": 109,
|
| 47 |
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"num_cdr_residues": 31
|
| 48 |
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},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 910,
|
| 51 |
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"num_gt_atoms": 931,
|
| 52 |
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"num_aligned_atoms": 896
|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 776,
|
| 56 |
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"num_gt_atoms": 795,
|
| 57 |
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"num_aligned_atoms": 751
|
| 58 |
+
}
|
| 59 |
+
}
|
8r1c_H_L_A_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
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| 1 |
+
{
|
| 2 |
+
"entry": "8r1c_H_L_A_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
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"total": 1.3359687328338623,
|
| 7 |
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"cdr": 2.0433205515146255,
|
| 8 |
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"framework": 0.606857180595398,
|
| 9 |
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"cdr_fw_aligned": 2.6412638127803802
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 936,
|
| 12 |
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"num_gt_atoms": 932,
|
| 13 |
+
"num_aligned_atoms": 932,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 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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|
8r1c_H_L_A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
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|
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|
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|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8r1c_H_L_A_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
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| 6 |
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"total": 1.4656251966953278,
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| 7 |
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|
| 8 |
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| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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"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 |
+
}
|
8r40_A_a_C_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
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|
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|
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|
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|
|
|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8r40_A_a_C_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "A",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 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": 968
|
| 58 |
+
}
|
| 59 |
+
}
|
8r40_A_a_C_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8r40_A_a_C_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 968
|
| 58 |
+
}
|
| 59 |
+
}
|
8r4b_B__A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
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|
|
|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r4b_B__A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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"framework": 2.3811137676239014,
|
| 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": 0.7191119691119691,
|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 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": 107,
|
| 32 |
+
"num_cdr_residues": 28
|
| 33 |
+
},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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"num_pred_atoms": 1036,
|
| 36 |
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"num_gt_atoms": 769,
|
| 37 |
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"num_aligned_atoms": 745
|
| 38 |
+
}
|
| 39 |
+
}
|
8r4b_B__A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
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|
|
|
|
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|
|
|
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|
|
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|
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|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r4b_B__A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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"num_gt_atoms": 428,
|
| 13 |
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"num_aligned_atoms": 428,
|
| 14 |
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|
| 15 |
+
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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"cdr2": 1.3027558326721191,
|
| 27 |
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| 28 |
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"cdr1_fw_aligned": 3.660137414932251,
|
| 29 |
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"cdr2_fw_aligned": 3.14892840385437,
|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 28
|
| 33 |
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},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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"num_pred_atoms": 548,
|
| 36 |
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"num_gt_atoms": 428,
|
| 37 |
+
"num_aligned_atoms": 428
|
| 38 |
+
}
|
| 39 |
+
}
|
8r4b_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": "8r4b_B__A_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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|
| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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"cdr": 4.651541233062744,
|
| 23 |
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"framework": 2.2640151977539062,
|
| 24 |
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"cdr_fw_aligned": 5.838735103607178,
|
| 25 |
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"cdr1": 1.1638314723968506,
|
| 26 |
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"cdr2": 2.2012197971343994,
|
| 27 |
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|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 7.220875263214111,
|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 28
|
| 33 |
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},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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"num_pred_atoms": 1036,
|
| 36 |
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"num_gt_atoms": 769,
|
| 37 |
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"num_aligned_atoms": 745
|
| 38 |
+
}
|
| 39 |
+
}
|
8r4b_B__A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
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|
|
|
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|
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|
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|
|
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|
|
|
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|
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|
|
|
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|
|
|
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|
|
|
|
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|
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|
|
|
|
|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
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|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8r4b_B__A_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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|
| 5 |
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|
| 6 |
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|
| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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| 20 |
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|
| 21 |
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|
| 22 |
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| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 28
|
| 33 |
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},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
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|
| 37 |
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"num_aligned_atoms": 745
|
| 38 |
+
}
|
| 39 |
+
}
|
8r4b_B__A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
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|
|
|
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|
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|
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|
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|
|
|
|
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|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
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|
|
|
|
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|
|
|
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|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8r4b_B__A_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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|
| 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 |
+
}
|
8r4d_B__A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
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|
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|
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|
|
|
|
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|
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|
|
|
|
|
|
|
|
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|
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|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
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|
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|
|
|
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|
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|
|
|
|
|
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|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8r4d_B__A_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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|
| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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"num_gt_atoms": 428,
|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 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 |
+
}
|
8r4d_B__A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
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|
|
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|
|
|
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|
|
|
|
|
|
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|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r4d_B__A_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 548,
|
| 12 |
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"num_gt_atoms": 428,
|
| 13 |
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"num_aligned_atoms": 428,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.781021897810219,
|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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"total": 2.9986684322357178,
|
| 22 |
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"cdr": 4.357082366943359,
|
| 23 |
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|
| 24 |
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|
| 25 |
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"cdr1": 1.0115588903427124,
|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 7.025119304656982,
|
| 30 |
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|
| 31 |
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"num_residues": 107,
|
| 32 |
+
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|
| 33 |
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},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
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"num_pred_atoms": 548,
|
| 36 |
+
"num_gt_atoms": 428,
|
| 37 |
+
"num_aligned_atoms": 428
|
| 38 |
+
}
|
| 39 |
+
}
|
8r4d_B__A_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r4d_B__A_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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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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"chain_id": "B",
|
| 21 |
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"total": 3.0663623809814453,
|
| 22 |
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|
| 23 |
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"framework": 2.3586177825927734,
|
| 24 |
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"cdr_fw_aligned": 5.033485412597656,
|
| 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": 5.581549644470215,
|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
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|
| 37 |
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"num_aligned_atoms": 745
|
| 38 |
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}
|
| 39 |
+
}
|
8r80_H_L_R_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
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|
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|
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|
|
|
|
|
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|
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|
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|
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|
|
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|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8r80_H_L_R_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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}
|
| 59 |
+
}
|
8r80_H_L_R_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 |
+
{
|
| 2 |
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"entry": "8r80_H_L_R_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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| 40 |
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| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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}
|
| 59 |
+
}
|
8r8k_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8r8k_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 |
+
}
|
8r8k_H_L_A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
|
|
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|
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|
|
|
|
|
|
|
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|
|
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|
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|
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|
|
|
|
|
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|
|
|
|
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|
|
|
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|
|
|
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|
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|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8r8k_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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"total": 1.5574990510940552,
|
| 7 |
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|
| 8 |
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| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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"light_chain": {
|
| 35 |
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|
| 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 |
+
}
|
8r8k_H_L_A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
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|
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|
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|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8r8k_H_L_A_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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}
|
| 59 |
+
}
|
8r9y_H_L_A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8r9y_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": true
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 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 |
+
}
|
8r9z_B_C_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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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8r9z_B_C_A_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 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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| 40 |
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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 |
+
}
|
8r9z_H_L_A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8r9z_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": 1.8663955926895142,
|
| 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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|
| 21 |
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|
| 22 |
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| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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"cdr3_fw_aligned": 2.0398199558258057,
|
| 31 |
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"num_residues": 219,
|
| 32 |
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"num_cdr_residues": 25
|
| 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": 1.7301969528198242,
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| 37 |
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"cdr": 0.5387121438980103,
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| 38 |
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"framework": 1.648406744003296,
|
| 39 |
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"cdr_fw_aligned": 2.4930834770202637,
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| 40 |
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"cdr1": 0.6221995949745178,
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| 41 |
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"cdr2": 0.29107600450515747,
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| 42 |
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"cdr3": 0.2534489631652832,
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| 43 |
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"cdr1_fw_aligned": 3.0120089054107666,
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| 44 |
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"cdr2_fw_aligned": 2.4247047901153564,
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| 45 |
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"cdr3_fw_aligned": 1.7278072834014893,
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| 46 |
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"num_residues": 212,
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| 47 |
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"num_cdr_residues": 27
|
| 48 |
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},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 876,
|
| 51 |
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"num_gt_atoms": 876,
|
| 52 |
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"num_aligned_atoms": 876
|
| 53 |
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},
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| 54 |
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"light_chain_atom_counts": {
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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 |
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}
|