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- 7vgs_D_C_A_sample_0_rmsd_backbone.json +59 -0
- 7xic_K_L_B_sample_1_rmsd.json +59 -0
- 7xic_K_L_B_sample_2_rmsd.json +59 -0
- 8q7o_A__C_sample_3_rmsd_backbone.json +39 -0
- 8q7o_A__C_sample_4_rmsd_backbone.json +39 -0
- 8q7s_F__D_sample_2_rmsd_backbone.json +39 -0
- 8qot_B__A_sample_3_rmsd_backbone.json +39 -0
- 8qq0_E_D_A_sample_1_rmsd.json +59 -0
- 8qq0_E_D_A_sample_2_rmsd.json +59 -0
- 8qz6_B__A_sample_3_rmsd.json +39 -0
- 8qz7_B__A_sample_1_rmsd_backbone.json +39 -0
- 8r1c_H_L_A_sample_0_rmsd_backbone.json +59 -0
- 8r4b_B__A_sample_2_rmsd_backbone.json +39 -0
- 8r8k_H_L_A_sample_3_rmsd_backbone.json +59 -0
- 8r8k_H_L_A_sample_4_rmsd_backbone.json +59 -0
- 8r9y_H_L_A_sample_0_rmsd.json +59 -0
- 8r9y_H_L_A_sample_2_rmsd_backbone.json +59 -0
- 8r9y_H_L_A_sample_3_rmsd.json +59 -0
- 8r9z_H_L_A_sample_1_rmsd.json +59 -0
- 8r9z_H_L_A_sample_2_rmsd.json +59 -0
- 8rek_H_L_A_sample_1_rmsd_backbone.json +59 -0
- 8rh0_H_L_A_sample_2_rmsd.json +59 -0
- 8rh2_H_L_B_sample_2_rmsd_backbone.json +59 -0
- 8rvn_H_L_F_sample_1_rmsd_backbone.json +59 -0
- 8rvn_H_L_F_sample_4_rmsd.json +59 -0
- 8rz2_B_C_A_sample_1_rmsd_backbone.json +59 -0
- 8s0l_B__A_sample_1_rmsd_backbone.json +39 -0
- 8s0l_B__A_sample_3_rmsd.json +39 -0
- 8s5w_B__A_sample_1_rmsd.json +39 -0
- 8s5w_B__A_sample_2_rmsd.json +39 -0
- 8sfx_D__B_sample_0_rmsd.json +39 -0
- 8sfx_D__B_sample_3_rmsd.json +39 -0
- 8sgj_H_L_A_sample_1_rmsd_backbone.json +59 -0
- 8sgt_H_L_A_sample_3_rmsd_backbone.json +59 -0
- 8slb_H_L_A_sample_4_rmsd_backbone.json +59 -0
- 8smk_B_C_A_sample_2_rmsd.json +59 -0
- 8smn_H_L_A_sample_0_rmsd_backbone.json +59 -0
- 8smp_H_L_A_sample_2_rmsd_backbone.json +59 -0
- 8smp_H_L_A_sample_3_rmsd.json +59 -0
- 8sr0_Y_Z_X_sample_1_rmsd_backbone.json +59 -0
- 8t1g_G_I_CD_sample_0_rmsd_backbone.json +59 -0
- 8tfn_H_L_B_sample_3_rmsd_backbone.json +59 -0
- 8tl3_G_H_AB_sample_3_rmsd_backbone.json +59 -0
- 8tl3_G_H_AB_sample_4_rmsd_backbone.json +59 -0
- 8tng_H__E_sample_2_rmsd_backbone.json +39 -0
- 8tnj_D_C_A_sample_0_rmsd.json +59 -0
- 8tnn_H_G_C_sample_4_rmsd_backbone.json +59 -0
- 8too_B_A_I_sample_1_rmsd.json +59 -0
- 8too_B_A_I_sample_4_rmsd.json +59 -0
- 8tp4_H_L_C_sample_2_rmsd_backbone.json +59 -0
7vgs_D_C_A_sample_0_rmsd_backbone.json
ADDED
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{
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"entry": "7vgs_D_C_A_sample_0",
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"success": true,
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"error": null,
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"rmsd": {
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"total": 1.3961395025253296,
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"framework": 1.2902987599372864,
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"alignment_coverage": {
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"pred_coverage": 0.9642058165548099,
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"gt_coverage": 1.0,
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"full_coverage": false
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"heavy_chain": {
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"chain_id": "D",
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"cdr": 0.9603860974311829,
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"cdr2": 0.7807990312576294,
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"cdr3": 0.38582664728164673,
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"cdr1_fw_aligned": 1.5712900161743164,
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"cdr2_fw_aligned": 2.0049850940704346,
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"cdr3_fw_aligned": 1.2183785438537598,
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"num_residues": 213,
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"num_cdr_residues": 17
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"light_chain": {
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"chain_id": "C",
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"total": 1.5711612701416016,
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"cdr": 1.3498016595840454,
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"framework": 1.397370457649231,
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"cdr_fw_aligned": 2.703058958053589,
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"cdr1": 1.4141911268234253,
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"cdr2": 0.9435399770736694,
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"cdr3": 1.0526856184005737,
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"cdr1_fw_aligned": 3.3742775917053223,
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"cdr2_fw_aligned": 1.8758763074874878,
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"cdr3_fw_aligned": 1.8584434986114502,
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"num_residues": 218,
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"num_cdr_residues": 31
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"heavy_chain_atom_counts": {
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"num_pred_atoms": 916,
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"num_gt_atoms": 852,
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}
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7xic_K_L_B_sample_1_rmsd.json
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{
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"entry": "7xic_K_L_B_sample_1",
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"success": true,
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"error": null,
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| 5 |
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"rmsd": {
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"total": 1.4780418574810028,
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"cdr": 2.084350049495697,
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"framework": 0.8795742094516754,
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"cdr_fw_aligned": 2.7308719754219055
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"num_pred_atoms": 1749,
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| 12 |
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"num_gt_atoms": 1803,
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| 13 |
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"num_aligned_atoms": 1720,
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| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9834190966266438,
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| 16 |
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"gt_coverage": 0.9539656128674432,
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| 17 |
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"full_coverage": false
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| 18 |
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| 19 |
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"heavy_chain": {
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| 20 |
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"chain_id": "K",
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| 21 |
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"total": 2.0193943977355957,
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"cdr": 3.0797512531280518,
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"cdr_fw_aligned": 4.32750940322876,
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"cdr1": 0.8434901237487793,
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"cdr3": 3.2258691787719727,
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"cdr2_fw_aligned": 0.9274810552597046,
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"cdr3_fw_aligned": 5.733504295349121,
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"num_residues": 129,
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"num_cdr_residues": 32
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| 33 |
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"light_chain": {
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| 35 |
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"chain_id": "L",
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"num_aligned_atoms": 800
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| 58 |
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}
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| 59 |
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}
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7xic_K_L_B_sample_2_rmsd.json
ADDED
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{
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"entry": "7xic_K_L_B_sample_2",
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| 3 |
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"success": true,
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| 4 |
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"error": null,
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| 5 |
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"rmsd": {
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| 6 |
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| 10 |
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| 12 |
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|
| 13 |
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| 14 |
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"alignment_coverage": {
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| 15 |
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| 16 |
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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": "K",
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| 21 |
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| 22 |
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| 30 |
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| 31 |
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| 32 |
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| 33 |
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| 34 |
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| 35 |
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| 46 |
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"num_residues": 108,
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| 47 |
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|
| 48 |
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| 49 |
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"heavy_chain_atom_counts": {
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| 50 |
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| 52 |
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| 53 |
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| 54 |
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| 56 |
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| 57 |
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"num_aligned_atoms": 800
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| 58 |
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}
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| 59 |
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}
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8q7o_A__C_sample_3_rmsd_backbone.json
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{
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"entry": "8q7o_A__C_sample_3",
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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": 0.8721708655357361,
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| 7 |
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"cdr": 0.6572049856185913,
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| 8 |
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"framework": 0.8760218024253845,
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| 9 |
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"cdr_fw_aligned": 0.9347667098045349
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| 10 |
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},
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| 11 |
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"num_pred_atoms": 496,
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| 12 |
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"num_gt_atoms": 480,
|
| 13 |
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"num_aligned_atoms": 480,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.967741935483871,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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| 22 |
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| 23 |
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"framework": 0.8760218024253845,
|
| 24 |
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"cdr_fw_aligned": 0.9347667098045349,
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| 25 |
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"cdr1": 0.370572566986084,
|
| 26 |
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"cdr2": 0.203522190451622,
|
| 27 |
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"cdr3": 0.552849531173706,
|
| 28 |
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"cdr1_fw_aligned": 0.5507068634033203,
|
| 29 |
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"cdr2_fw_aligned": 0.5583902597427368,
|
| 30 |
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"cdr3_fw_aligned": 1.2215913534164429,
|
| 31 |
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"num_residues": 120,
|
| 32 |
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"num_cdr_residues": 23
|
| 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 |
+
}
|
8q7o_A__C_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
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|
|
|
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|
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|
|
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|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8q7o_A__C_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.0139015913009644,
|
| 7 |
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"cdr": 1.0825259685516357,
|
| 8 |
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"framework": 0.7578186988830566,
|
| 9 |
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"cdr_fw_aligned": 1.9142285585403442
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 496,
|
| 12 |
+
"num_gt_atoms": 480,
|
| 13 |
+
"num_aligned_atoms": 480,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.967741935483871,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "A",
|
| 21 |
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"total": 1.0139015913009644,
|
| 22 |
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"cdr": 1.0825259685516357,
|
| 23 |
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"framework": 0.7578186988830566,
|
| 24 |
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"cdr_fw_aligned": 1.9142285585403442,
|
| 25 |
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"cdr1": 0.4933277666568756,
|
| 26 |
+
"cdr2": 0.23224759101867676,
|
| 27 |
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"cdr3": 0.5846742391586304,
|
| 28 |
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"cdr1_fw_aligned": 0.6013253927230835,
|
| 29 |
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"cdr2_fw_aligned": 0.636315107345581,
|
| 30 |
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"cdr3_fw_aligned": 2.6921229362487793,
|
| 31 |
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"num_residues": 120,
|
| 32 |
+
"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 496,
|
| 36 |
+
"num_gt_atoms": 480,
|
| 37 |
+
"num_aligned_atoms": 480
|
| 38 |
+
}
|
| 39 |
+
}
|
8q7s_F__D_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
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|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8q7s_F__D_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.4310952425003052,
|
| 7 |
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"cdr": 2.1402530670166016,
|
| 8 |
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"framework": 0.562336802482605,
|
| 9 |
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"cdr_fw_aligned": 2.834724187850952
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 524,
|
| 12 |
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"num_gt_atoms": 512,
|
| 13 |
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"num_aligned_atoms": 512,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9770992366412213,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "F",
|
| 21 |
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"total": 1.4310952425003052,
|
| 22 |
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"cdr": 2.1402530670166016,
|
| 23 |
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"framework": 0.562336802482605,
|
| 24 |
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"cdr_fw_aligned": 2.834724187850952,
|
| 25 |
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"cdr1": 2.173542022705078,
|
| 26 |
+
"cdr2": 0.24186041951179504,
|
| 27 |
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"cdr3": 1.44065523147583,
|
| 28 |
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"cdr1_fw_aligned": 4.597354412078857,
|
| 29 |
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"cdr2_fw_aligned": 1.2237869501113892,
|
| 30 |
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"cdr3_fw_aligned": 2.2965152263641357,
|
| 31 |
+
"num_residues": 128,
|
| 32 |
+
"num_cdr_residues": 32
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 524,
|
| 36 |
+
"num_gt_atoms": 512,
|
| 37 |
+
"num_aligned_atoms": 512
|
| 38 |
+
}
|
| 39 |
+
}
|
8qot_B__A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
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|
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|
|
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|
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|
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|
|
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|
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|
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|
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|
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|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qot_B__A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.5178022384643555,
|
| 7 |
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"cdr": 1.9985231161117554,
|
| 8 |
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|
| 9 |
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"cdr_fw_aligned": 3.253706693649292
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 684,
|
| 12 |
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"num_gt_atoms": 500,
|
| 13 |
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"num_aligned_atoms": 500,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.7309941520467836,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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"total": 1.5178022384643555,
|
| 22 |
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"cdr": 1.9985231161117554,
|
| 23 |
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"framework": 0.884711742401123,
|
| 24 |
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"cdr_fw_aligned": 3.253706693649292,
|
| 25 |
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"cdr1": 2.3151514530181885,
|
| 26 |
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"cdr2": 0.2821769714355469,
|
| 27 |
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"cdr3": 1.2211929559707642,
|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 0.9460067749023438,
|
| 30 |
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"cdr3_fw_aligned": 3.9464328289031982,
|
| 31 |
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"num_residues": 125,
|
| 32 |
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"num_cdr_residues": 27
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 684,
|
| 36 |
+
"num_gt_atoms": 500,
|
| 37 |
+
"num_aligned_atoms": 500
|
| 38 |
+
}
|
| 39 |
+
}
|
8qq0_E_D_A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
|
|
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|
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|
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|
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|
|
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|
|
|
|
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|
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|
|
|
|
|
|
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|
|
|
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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": "8qq0_E_D_A_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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"cdr3_fw_aligned": 3.2876336574554443,
|
| 31 |
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"num_residues": 120,
|
| 32 |
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"num_cdr_residues": 26
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "D",
|
| 36 |
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"total": 2.214256763458252,
|
| 37 |
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"cdr": 3.5913610458374023,
|
| 38 |
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"framework": 1.2980819940567017,
|
| 39 |
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"cdr_fw_aligned": 3.8744797706604004,
|
| 40 |
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"cdr1": 4.983383655548096,
|
| 41 |
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"cdr2": 0.5908816456794739,
|
| 42 |
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"cdr3": 0.8297796845436096,
|
| 43 |
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"cdr1_fw_aligned": 5.496270656585693,
|
| 44 |
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"cdr2_fw_aligned": 1.118721604347229,
|
| 45 |
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"cdr3_fw_aligned": 2.0427801609039307,
|
| 46 |
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"num_residues": 111,
|
| 47 |
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"num_cdr_residues": 31
|
| 48 |
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},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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"num_gt_atoms": 928,
|
| 52 |
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"num_aligned_atoms": 881
|
| 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 |
+
}
|
| 59 |
+
}
|
8qq0_E_D_A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
|
|
|
|
|
|
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|
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|
|
|
|
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|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qq0_E_D_A_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.7842270731925964,
|
| 7 |
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"cdr": 2.524871051311493,
|
| 8 |
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"framework": 1.3235657215118408,
|
| 9 |
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"cdr_fw_aligned": 2.8393874764442444
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 3267,
|
| 12 |
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"num_gt_atoms": 1742,
|
| 13 |
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"num_aligned_atoms": 1645,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.5035200489745945,
|
| 16 |
+
"gt_coverage": 0.9443168771526981,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "E",
|
| 21 |
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"total": 1.317252516746521,
|
| 22 |
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"cdr": 1.5735121965408325,
|
| 23 |
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"framework": 1.1978977918624878,
|
| 24 |
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|
| 25 |
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"cdr1": 0.9304622411727905,
|
| 26 |
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"cdr2": 0.4431069493293762,
|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 1.3987507820129395,
|
| 29 |
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|
| 30 |
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"cdr3_fw_aligned": 2.387620449066162,
|
| 31 |
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"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": 2.251201629638672,
|
| 37 |
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"cdr": 3.4762299060821533,
|
| 38 |
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"framework": 1.4492336511611938,
|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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"num_residues": 111,
|
| 47 |
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"num_cdr_residues": 31
|
| 48 |
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},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 1693,
|
| 51 |
+
"num_gt_atoms": 928,
|
| 52 |
+
"num_aligned_atoms": 881
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 1574,
|
| 56 |
+
"num_gt_atoms": 814,
|
| 57 |
+
"num_aligned_atoms": 764
|
| 58 |
+
}
|
| 59 |
+
}
|
8qz6_B__A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
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|
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|
|
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|
|
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|
|
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|
|
|
|
|
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|
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|
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|
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|
|
|
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|
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|
|
|
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|
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|
|
|
|
|
|
|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz6_B__A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.4699156284332275,
|
| 7 |
+
"cdr": 2.1873552799224854,
|
| 8 |
+
"framework": 1.109509825706482,
|
| 9 |
+
"cdr_fw_aligned": 2.4661307334899902
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1016,
|
| 12 |
+
"num_gt_atoms": 913,
|
| 13 |
+
"num_aligned_atoms": 862,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.8484251968503937,
|
| 16 |
+
"gt_coverage": 0.9441401971522454,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
+
"total": 1.4699156284332275,
|
| 22 |
+
"cdr": 2.1873552799224854,
|
| 23 |
+
"framework": 1.109509825706482,
|
| 24 |
+
"cdr_fw_aligned": 2.4661307334899902,
|
| 25 |
+
"cdr1": 1.1708062887191772,
|
| 26 |
+
"cdr2": 0.3520396053791046,
|
| 27 |
+
"cdr3": 2.3572545051574707,
|
| 28 |
+
"cdr1_fw_aligned": 1.4405772686004639,
|
| 29 |
+
"cdr2_fw_aligned": 0.5405120253562927,
|
| 30 |
+
"cdr3_fw_aligned": 3.235781192779541,
|
| 31 |
+
"num_residues": 124,
|
| 32 |
+
"num_cdr_residues": 30
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 1016,
|
| 36 |
+
"num_gt_atoms": 913,
|
| 37 |
+
"num_aligned_atoms": 862
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz7_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz7_B__A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.105224609375,
|
| 7 |
+
"cdr": 1.6228567361831665,
|
| 8 |
+
"framework": 0.665884792804718,
|
| 9 |
+
"cdr_fw_aligned": 2.0892958641052246
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 544,
|
| 12 |
+
"num_gt_atoms": 496,
|
| 13 |
+
"num_aligned_atoms": 496,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9117647058823529,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
+
"total": 1.105224609375,
|
| 22 |
+
"cdr": 1.6228567361831665,
|
| 23 |
+
"framework": 0.665884792804718,
|
| 24 |
+
"cdr_fw_aligned": 2.0892958641052246,
|
| 25 |
+
"cdr1": 0.4595695436000824,
|
| 26 |
+
"cdr2": 0.25127196311950684,
|
| 27 |
+
"cdr3": 1.5275800228118896,
|
| 28 |
+
"cdr1_fw_aligned": 1.0307663679122925,
|
| 29 |
+
"cdr2_fw_aligned": 0.3172828257083893,
|
| 30 |
+
"cdr3_fw_aligned": 2.6889026165008545,
|
| 31 |
+
"num_residues": 124,
|
| 32 |
+
"num_cdr_residues": 30
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 544,
|
| 36 |
+
"num_gt_atoms": 496,
|
| 37 |
+
"num_aligned_atoms": 496
|
| 38 |
+
}
|
| 39 |
+
}
|
8r1c_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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|
|
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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": "8r1c_H_L_A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.3184412717819214,
|
| 7 |
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"cdr": 2.1037649512290955,
|
| 8 |
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"framework": 0.5576614737510681,
|
| 9 |
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"cdr_fw_aligned": 2.589577227830887
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 936,
|
| 12 |
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"num_gt_atoms": 932,
|
| 13 |
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"num_aligned_atoms": 932,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9957264957264957,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 2.0458743572235107,
|
| 22 |
+
"cdr": 3.667917251586914,
|
| 23 |
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"framework": 0.5513778328895569,
|
| 24 |
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"cdr_fw_aligned": 4.4569830894470215,
|
| 25 |
+
"cdr1": 0.693611204624176,
|
| 26 |
+
"cdr2": 0.28792625665664673,
|
| 27 |
+
"cdr3": 4.079560279846191,
|
| 28 |
+
"cdr1_fw_aligned": 0.8397018313407898,
|
| 29 |
+
"cdr2_fw_aligned": 0.5932819247245789,
|
| 30 |
+
"cdr3_fw_aligned": 6.2570295333862305,
|
| 31 |
+
"num_residues": 124,
|
| 32 |
+
"num_cdr_residues": 28
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 0.591008186340332,
|
| 37 |
+
"cdr": 0.5396126508712769,
|
| 38 |
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"framework": 0.5639451146125793,
|
| 39 |
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"cdr_fw_aligned": 0.7221713662147522,
|
| 40 |
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"cdr1": 0.5698400735855103,
|
| 41 |
+
"cdr2": 0.38024747371673584,
|
| 42 |
+
"cdr3": 0.26241156458854675,
|
| 43 |
+
"cdr1_fw_aligned": 0.8536938428878784,
|
| 44 |
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"cdr2_fw_aligned": 0.6811334490776062,
|
| 45 |
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"cdr3_fw_aligned": 0.5212361216545105,
|
| 46 |
+
"num_residues": 109,
|
| 47 |
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"num_cdr_residues": 31
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 496,
|
| 51 |
+
"num_gt_atoms": 496,
|
| 52 |
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"num_aligned_atoms": 496
|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 436,
|
| 57 |
+
"num_aligned_atoms": 436
|
| 58 |
+
}
|
| 59 |
+
}
|
8r4b_B__A_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
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|
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|
|
|
|
|
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|
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|
|
|
|
|
|
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|
|
|
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|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r4b_B__A_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
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"total": 3.4253876209259033,
|
| 7 |
+
"cdr": 5.32082462310791,
|
| 8 |
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"framework": 1.574416995048523,
|
| 9 |
+
"cdr_fw_aligned": 6.434775352478027
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 548,
|
| 12 |
+
"num_gt_atoms": 428,
|
| 13 |
+
"num_aligned_atoms": 428,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.781021897810219,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
+
"total": 3.4253876209259033,
|
| 22 |
+
"cdr": 5.32082462310791,
|
| 23 |
+
"framework": 1.574416995048523,
|
| 24 |
+
"cdr_fw_aligned": 6.434775352478027,
|
| 25 |
+
"cdr1": 1.4520032405853271,
|
| 26 |
+
"cdr2": 1.709411859512329,
|
| 27 |
+
"cdr3": 2.402677536010742,
|
| 28 |
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"cdr1_fw_aligned": 3.8273050785064697,
|
| 29 |
+
"cdr2_fw_aligned": 9.767815589904785,
|
| 30 |
+
"cdr3_fw_aligned": 5.682586193084717,
|
| 31 |
+
"num_residues": 107,
|
| 32 |
+
"num_cdr_residues": 28
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 548,
|
| 36 |
+
"num_gt_atoms": 428,
|
| 37 |
+
"num_aligned_atoms": 428
|
| 38 |
+
}
|
| 39 |
+
}
|
8r8k_H_L_A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r8k_H_L_A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
+
"total": 0.9780519902706146,
|
| 7 |
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"cdr": 1.1951316595077515,
|
| 8 |
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"framework": 0.6627987623214722,
|
| 9 |
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"cdr_fw_aligned": 1.5517637133598328
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 1788,
|
| 12 |
+
"num_gt_atoms": 940,
|
| 13 |
+
"num_aligned_atoms": 940,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.5257270693512305,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
+
"total": 1.230157732963562,
|
| 22 |
+
"cdr": 1.8923015594482422,
|
| 23 |
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"framework": 0.5541598796844482,
|
| 24 |
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"cdr_fw_aligned": 2.5082595348358154,
|
| 25 |
+
"cdr1": 0.46718233823776245,
|
| 26 |
+
"cdr2": 0.4402958154678345,
|
| 27 |
+
"cdr3": 1.7180672883987427,
|
| 28 |
+
"cdr1_fw_aligned": 0.7885878682136536,
|
| 29 |
+
"cdr2_fw_aligned": 1.2324528694152832,
|
| 30 |
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"cdr3_fw_aligned": 3.297231674194336,
|
| 31 |
+
"num_residues": 128,
|
| 32 |
+
"num_cdr_residues": 32
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
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"total": 0.7259462475776672,
|
| 37 |
+
"cdr": 0.49796175956726074,
|
| 38 |
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"framework": 0.7714376449584961,
|
| 39 |
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"cdr_fw_aligned": 0.5952678918838501,
|
| 40 |
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"cdr1": 0.3010537922382355,
|
| 41 |
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"cdr2": 0.333831250667572,
|
| 42 |
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"cdr3": 0.486754834651947,
|
| 43 |
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"cdr1_fw_aligned": 0.4661264419555664,
|
| 44 |
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"cdr2_fw_aligned": 0.48924416303634644,
|
| 45 |
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"cdr3_fw_aligned": 0.7818737626075745,
|
| 46 |
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"num_residues": 107,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 932,
|
| 51 |
+
"num_gt_atoms": 512,
|
| 52 |
+
"num_aligned_atoms": 512
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 856,
|
| 56 |
+
"num_gt_atoms": 428,
|
| 57 |
+
"num_aligned_atoms": 428
|
| 58 |
+
}
|
| 59 |
+
}
|
8r8k_H_L_A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
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| 1 |
+
{
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| 2 |
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"entry": "8r8k_H_L_A_sample_4",
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| 3 |
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"success": true,
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| 4 |
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|
8r9y_H_L_A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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| 1 |
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{
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"entry": "8r9y_H_L_A_sample_0",
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"success": true,
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| 33 |
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| 34 |
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| 58 |
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|
| 59 |
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|
8r9y_H_L_A_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
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| 1 |
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{
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| 2 |
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"entry": "8r9y_H_L_A_sample_2",
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| 3 |
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| 4 |
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| 5 |
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| 10 |
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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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},
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| 19 |
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| 20 |
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| 21 |
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| 32 |
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|
| 33 |
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| 34 |
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| 35 |
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|
| 48 |
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|
| 49 |
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| 50 |
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| 52 |
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| 53 |
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| 55 |
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|
| 58 |
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}
|
| 59 |
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}
|
8r9y_H_L_A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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|
| 1 |
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{
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| 2 |
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"entry": "8r9y_H_L_A_sample_3",
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| 3 |
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| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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| 16 |
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| 17 |
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|
| 18 |
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| 19 |
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| 20 |
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| 21 |
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| 25 |
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| 27 |
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| 28 |
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| 29 |
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| 30 |
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| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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| 36 |
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| 37 |
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| 44 |
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| 45 |
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| 46 |
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| 47 |
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|
| 48 |
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|
| 49 |
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| 50 |
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| 51 |
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| 52 |
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| 53 |
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| 54 |
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| 55 |
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| 56 |
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| 57 |
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"num_aligned_atoms": 1585
|
| 58 |
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}
|
| 59 |
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}
|
8r9z_H_L_A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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|
|
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|
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|
| 1 |
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{
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| 2 |
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| 3 |
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| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 10 |
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| 11 |
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| 12 |
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| 13 |
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| 14 |
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| 15 |
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| 16 |
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| 17 |
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| 18 |
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| 19 |
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| 20 |
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| 21 |
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| 22 |
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| 23 |
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| 24 |
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| 25 |
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| 26 |
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| 27 |
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| 29 |
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| 30 |
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| 31 |
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| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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| 37 |
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| 38 |
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| 40 |
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| 41 |
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| 42 |
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| 43 |
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| 44 |
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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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|
8r9z_H_L_A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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|
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|
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|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8r9z_H_L_A_sample_2",
|
| 3 |
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|
| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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| 15 |
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| 16 |
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| 17 |
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|
| 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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| 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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| 44 |
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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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|
8rek_H_L_A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
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|
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|
|
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|
|
|
|
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|
|
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|
|
|
|
|
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|
|
|
|
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|
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|
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|
|
|
|
|
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|
|
|
|
|
|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
| 1 |
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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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|
| 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 |
+
}
|
8rh0_H_L_A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
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|
|
|
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|
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|
|
|
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|
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|
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|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
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|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8rh0_H_L_A_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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|
| 36 |
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"total": 1.1282325983047485,
|
| 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": 735
|
| 58 |
+
}
|
| 59 |
+
}
|
8rh2_H_L_B_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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|
| 3 |
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|
| 4 |
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|
| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 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 |
+
}
|
8rvn_H_L_F_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
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|
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|
|
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|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8rvn_H_L_F_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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|
| 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": 416
|
| 58 |
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}
|
| 59 |
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}
|
8rvn_H_L_F_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
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|
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|
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|
|
|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8rvn_H_L_F_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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|
| 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 |
+
}
|
8rz2_B_C_A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
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|
|
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|
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|
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|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8rz2_B_C_A_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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|
| 35 |
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|
| 36 |
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"total": 8.169029235839844,
|
| 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 |
+
}
|
8s0l_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8s0l_B__A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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"cdr": 2.1906819343566895,
|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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"num_aligned_atoms": 520,
|
| 14 |
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|
| 15 |
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|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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|
| 22 |
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"cdr": 2.1906819343566895,
|
| 23 |
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"framework": 0.4885040819644928,
|
| 24 |
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"cdr_fw_aligned": 2.5257842540740967,
|
| 25 |
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"cdr1": 0.46539223194122314,
|
| 26 |
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|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 1.4873977899551392,
|
| 29 |
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"cdr2_fw_aligned": 0.3511393070220947,
|
| 30 |
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"cdr3_fw_aligned": 3.1449239253997803,
|
| 31 |
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"num_residues": 130,
|
| 32 |
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"num_cdr_residues": 32
|
| 33 |
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},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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"num_pred_atoms": 600,
|
| 36 |
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"num_gt_atoms": 520,
|
| 37 |
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"num_aligned_atoms": 520
|
| 38 |
+
}
|
| 39 |
+
}
|
8s0l_B__A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
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|
|
|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8s0l_B__A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.7278999090194702,
|
| 7 |
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"cdr": 2.8550782203674316,
|
| 8 |
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"framework": 1.1033457517623901,
|
| 9 |
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"cdr_fw_aligned": 3.211747646331787
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 1087,
|
| 12 |
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"num_gt_atoms": 991,
|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.8610855565777369,
|
| 16 |
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"gt_coverage": 0.9445005045408678,
|
| 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": 1.7278999090194702,
|
| 22 |
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"cdr": 2.8550782203674316,
|
| 23 |
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"framework": 1.1033457517623901,
|
| 24 |
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"cdr_fw_aligned": 3.211747646331787,
|
| 25 |
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|
| 26 |
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"cdr2": 0.3478780686855316,
|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 1.2943534851074219,
|
| 29 |
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"cdr2_fw_aligned": 0.5659826993942261,
|
| 30 |
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"cdr3_fw_aligned": 4.035053253173828,
|
| 31 |
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"num_residues": 130,
|
| 32 |
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"num_cdr_residues": 32
|
| 33 |
+
},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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"num_pred_atoms": 1087,
|
| 36 |
+
"num_gt_atoms": 991,
|
| 37 |
+
"num_aligned_atoms": 936
|
| 38 |
+
}
|
| 39 |
+
}
|
8s5w_B__A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8s5w_B__A_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"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": 935,
|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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"total": 3.207864284515381,
|
| 22 |
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"cdr": 5.902733325958252,
|
| 23 |
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"framework": 1.3148272037506104,
|
| 24 |
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"cdr_fw_aligned": 7.280877590179443,
|
| 25 |
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"cdr1": 3.224158525466919,
|
| 26 |
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"cdr2": 2.819650411605835,
|
| 27 |
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"cdr3": 5.289859294891357,
|
| 28 |
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"cdr1_fw_aligned": 5.372591972351074,
|
| 29 |
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"cdr2_fw_aligned": 3.6265408992767334,
|
| 30 |
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"cdr3_fw_aligned": 9.264517784118652,
|
| 31 |
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|
| 32 |
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"num_cdr_residues": 27
|
| 33 |
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},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
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"num_gt_atoms": 935,
|
| 37 |
+
"num_aligned_atoms": 889
|
| 38 |
+
}
|
| 39 |
+
}
|
8s5w_B__A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8s5w_B__A_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 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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"cdr_fw_aligned": 7.112522602081299,
|
| 25 |
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"cdr1": 3.1369271278381348,
|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 4.54387092590332,
|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 27
|
| 33 |
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},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
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|
| 37 |
+
"num_aligned_atoms": 889
|
| 38 |
+
}
|
| 39 |
+
}
|
8sfx_D__B_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
|
|
|
|
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|
|
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|
|
|
|
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|
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|
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|
|
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|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8sfx_D__B_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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"num_aligned_atoms": 852
|
| 38 |
+
}
|
| 39 |
+
}
|
8sfx_D__B_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
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|
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|
|
|
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|
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|
|
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|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8sfx_D__B_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.1065729856491089,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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}
|
| 39 |
+
}
|
8sgj_H_L_A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
|
| 1 |
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{
|
| 2 |
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"entry": "8sgj_H_L_A_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.0007201731204987,
|
| 7 |
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"cdr": 1.3405926823616028,
|
| 8 |
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"framework": 0.6794935166835785,
|
| 9 |
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"cdr_fw_aligned": 1.7390094101428986
|
| 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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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
+
"total": 1.3668568134307861,
|
| 22 |
+
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|
| 23 |
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"framework": 0.75175940990448,
|
| 24 |
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"cdr_fw_aligned": 2.7158496379852295,
|
| 25 |
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"cdr1": 0.3573422431945801,
|
| 26 |
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|
| 27 |
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"cdr3": 2.442028522491455,
|
| 28 |
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"cdr1_fw_aligned": 0.813023567199707,
|
| 29 |
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"cdr2_fw_aligned": 0.8411252498626709,
|
| 30 |
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"cdr3_fw_aligned": 3.8245294094085693,
|
| 31 |
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"num_residues": 121,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 0.6345835328102112,
|
| 37 |
+
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|
| 38 |
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"framework": 0.607227623462677,
|
| 39 |
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"cdr_fw_aligned": 0.7621691823005676,
|
| 40 |
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"cdr1": 0.38689038157463074,
|
| 41 |
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"cdr2": 0.49483731389045715,
|
| 42 |
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"cdr3": 0.6263687014579773,
|
| 43 |
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"cdr1_fw_aligned": 0.6093950271606445,
|
| 44 |
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"cdr2_fw_aligned": 0.7815743088722229,
|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
+
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|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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"num_gt_atoms": 484,
|
| 52 |
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"num_aligned_atoms": 484
|
| 53 |
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},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 440
|
| 58 |
+
}
|
| 59 |
+
}
|
8sgt_H_L_A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
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|
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|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sgt_H_L_A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 0.9522157311439514,
|
| 7 |
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"cdr": 1.263377696275711,
|
| 8 |
+
"framework": 0.7559570670127869,
|
| 9 |
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|
| 10 |
+
},
|
| 11 |
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|
| 12 |
+
"num_gt_atoms": 924,
|
| 13 |
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"num_aligned_atoms": 924,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.5121951219512195,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.1652110815048218,
|
| 22 |
+
"cdr": 1.729806661605835,
|
| 23 |
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"framework": 0.8619434237480164,
|
| 24 |
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"cdr_fw_aligned": 1.9571937322616577,
|
| 25 |
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|
| 26 |
+
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|
| 27 |
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"cdr3": 2.2557506561279297,
|
| 28 |
+
"cdr1_fw_aligned": 0.7907416820526123,
|
| 29 |
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"cdr2_fw_aligned": 0.7265763282775879,
|
| 30 |
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|
| 31 |
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"num_residues": 121,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 0.739220380783081,
|
| 37 |
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"cdr": 0.7969487309455872,
|
| 38 |
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"framework": 0.6499707102775574,
|
| 39 |
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"cdr_fw_aligned": 1.0110962390899658,
|
| 40 |
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"cdr1": 0.378995418548584,
|
| 41 |
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"cdr2": 0.295958936214447,
|
| 42 |
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"cdr3": 0.8108179569244385,
|
| 43 |
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"cdr1_fw_aligned": 0.6733499765396118,
|
| 44 |
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"cdr2_fw_aligned": 0.6705104112625122,
|
| 45 |
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"cdr3_fw_aligned": 1.5338656902313232,
|
| 46 |
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"num_residues": 110,
|
| 47 |
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"num_cdr_residues": 30
|
| 48 |
+
},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 996,
|
| 51 |
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"num_gt_atoms": 484,
|
| 52 |
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"num_aligned_atoms": 484
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 440,
|
| 57 |
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"num_aligned_atoms": 440
|
| 58 |
+
}
|
| 59 |
+
}
|
8slb_H_L_A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
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|
|
|
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|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8slb_H_L_A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.820867896080017,
|
| 7 |
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"cdr": 2.7480621188879013,
|
| 8 |
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"framework": 2.146252751350403,
|
| 9 |
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|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 1820,
|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9582417582417583,
|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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"total": 2.994878053665161,
|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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"cdr3": 3.5713913440704346,
|
| 28 |
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"cdr1_fw_aligned": 3.260093927383423,
|
| 29 |
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"cdr2_fw_aligned": 3.0993056297302246,
|
| 30 |
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"cdr3_fw_aligned": 8.078521728515625,
|
| 31 |
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"num_residues": 222,
|
| 32 |
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"num_cdr_residues": 34
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
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"total": 2.646857738494873,
|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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"cdr3": 0.28247568011283875,
|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
+
},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 856,
|
| 57 |
+
"num_aligned_atoms": 856
|
| 58 |
+
}
|
| 59 |
+
}
|
8smk_B_C_A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
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|
|
|
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|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8smk_B_C_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": 4.90385890007019,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
+
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|
| 13 |
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|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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|
| 16 |
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"gt_coverage": 0.9681528662420382,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
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"chain_id": "C",
|
| 36 |
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"total": 4.575520992279053,
|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
+
},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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"num_gt_atoms": 1644,
|
| 57 |
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"num_aligned_atoms": 1600
|
| 58 |
+
}
|
| 59 |
+
}
|
8smn_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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|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8smn_H_L_A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.06710022687912,
|
| 7 |
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"cdr": 3.296416401863098,
|
| 8 |
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"framework": 0.6993129551410675,
|
| 9 |
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"cdr_fw_aligned": 4.4057207107543945
|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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"num_aligned_atoms": 920,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.512249443207127,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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"total": 2.8190040588378906,
|
| 22 |
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"cdr": 4.7736639976501465,
|
| 23 |
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"framework": 0.5231476426124573,
|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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"cdr3": 4.422022819519043,
|
| 28 |
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"cdr1_fw_aligned": 0.5922377705574036,
|
| 29 |
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"cdr2_fw_aligned": 1.139595866203308,
|
| 30 |
+
"cdr3_fw_aligned": 9.01667594909668,
|
| 31 |
+
"num_residues": 124,
|
| 32 |
+
"num_cdr_residues": 27
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 1.3151963949203491,
|
| 37 |
+
"cdr": 1.8191688060760498,
|
| 38 |
+
"framework": 0.8754782676696777,
|
| 39 |
+
"cdr_fw_aligned": 2.2895264625549316,
|
| 40 |
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"cdr1": 2.1913375854492188,
|
| 41 |
+
"cdr2": 0.2962995171546936,
|
| 42 |
+
"cdr3": 1.6399295330047607,
|
| 43 |
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"cdr1_fw_aligned": 2.8682444095611572,
|
| 44 |
+
"cdr2_fw_aligned": 0.8127831816673279,
|
| 45 |
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"cdr3_fw_aligned": 2.270911693572998,
|
| 46 |
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"num_residues": 106,
|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 936,
|
| 51 |
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"num_gt_atoms": 496,
|
| 52 |
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"num_aligned_atoms": 496
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
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|
| 56 |
+
"num_gt_atoms": 424,
|
| 57 |
+
"num_aligned_atoms": 424
|
| 58 |
+
}
|
| 59 |
+
}
|
8smp_H_L_A_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
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|
|
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|
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|
|
|
|
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|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8smp_H_L_A_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
+
"total": 1.453414499759674,
|
| 7 |
+
"cdr": 2.4800002574920654,
|
| 8 |
+
"framework": 0.6935552656650543,
|
| 9 |
+
"cdr_fw_aligned": 2.785583972930908
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 1796,
|
| 12 |
+
"num_gt_atoms": 920,
|
| 13 |
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"num_aligned_atoms": 920,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.512249443207127,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.6175285577774048,
|
| 22 |
+
"cdr": 3.0256354808807373,
|
| 23 |
+
"framework": 0.5719419717788696,
|
| 24 |
+
"cdr_fw_aligned": 3.3443939685821533,
|
| 25 |
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"cdr1": 0.3274465501308441,
|
| 26 |
+
"cdr2": 0.9774294495582581,
|
| 27 |
+
"cdr3": 3.3046085834503174,
|
| 28 |
+
"cdr1_fw_aligned": 0.54062819480896,
|
| 29 |
+
"cdr2_fw_aligned": 1.1579947471618652,
|
| 30 |
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"cdr3_fw_aligned": 4.566205024719238,
|
| 31 |
+
"num_residues": 124,
|
| 32 |
+
"num_cdr_residues": 27
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 1.2893004417419434,
|
| 37 |
+
"cdr": 1.9343650341033936,
|
| 38 |
+
"framework": 0.815168559551239,
|
| 39 |
+
"cdr_fw_aligned": 2.226773977279663,
|
| 40 |
+
"cdr1": 2.402407646179199,
|
| 41 |
+
"cdr2": 0.41167718172073364,
|
| 42 |
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"cdr3": 1.63002610206604,
|
| 43 |
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"cdr1_fw_aligned": 2.870100975036621,
|
| 44 |
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"cdr2_fw_aligned": 0.6967831254005432,
|
| 45 |
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"cdr3_fw_aligned": 2.1047356128692627,
|
| 46 |
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"num_residues": 106,
|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 936,
|
| 51 |
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"num_gt_atoms": 496,
|
| 52 |
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"num_aligned_atoms": 496
|
| 53 |
+
},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 860,
|
| 56 |
+
"num_gt_atoms": 424,
|
| 57 |
+
"num_aligned_atoms": 424
|
| 58 |
+
}
|
| 59 |
+
}
|
8smp_H_L_A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
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|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8smp_H_L_A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.885654866695404,
|
| 7 |
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|
| 8 |
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"framework": 1.3194087743759155,
|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 0.9405307173728943,
|
| 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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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 763
|
| 58 |
+
}
|
| 59 |
+
}
|
8sr0_Y_Z_X_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8sr0_Y_Z_X_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.0431765019893646,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
+
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "Y",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "Z",
|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
+
},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 435
|
| 58 |
+
}
|
| 59 |
+
}
|
8t1g_G_I_CD_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8t1g_G_I_CD_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
+
"total": 1.375468522310257,
|
| 7 |
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"cdr": 2.0271230936050415,
|
| 8 |
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"framework": 0.8685894310474396,
|
| 9 |
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"cdr_fw_aligned": 3.1719574332237244
|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
+
"num_aligned_atoms": 1784,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9889135254988913,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "G",
|
| 21 |
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"total": 1.914244294166565,
|
| 22 |
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"cdr": 3.4428744316101074,
|
| 23 |
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"framework": 0.9709275364875793,
|
| 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": 1.690293550491333,
|
| 29 |
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"cdr2_fw_aligned": 1.6397860050201416,
|
| 30 |
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"cdr3_fw_aligned": 6.2126946449279785,
|
| 31 |
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"num_residues": 229,
|
| 32 |
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"num_cdr_residues": 31
|
| 33 |
+
},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "I",
|
| 36 |
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"total": 0.836692750453949,
|
| 37 |
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"cdr": 0.6113717555999756,
|
| 38 |
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"framework": 0.7662513256072998,
|
| 39 |
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"cdr_fw_aligned": 1.3704360723495483,
|
| 40 |
+
"cdr1": 0.7119151949882507,
|
| 41 |
+
"cdr2": 0.1995561569929123,
|
| 42 |
+
"cdr3": 0.40443769097328186,
|
| 43 |
+
"cdr1_fw_aligned": 1.7110944986343384,
|
| 44 |
+
"cdr2_fw_aligned": 0.4790249168872833,
|
| 45 |
+
"cdr3_fw_aligned": 1.16301429271698,
|
| 46 |
+
"num_residues": 217,
|
| 47 |
+
"num_cdr_residues": 33
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 928,
|
| 51 |
+
"num_gt_atoms": 916,
|
| 52 |
+
"num_aligned_atoms": 916
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 876,
|
| 56 |
+
"num_gt_atoms": 868,
|
| 57 |
+
"num_aligned_atoms": 868
|
| 58 |
+
}
|
| 59 |
+
}
|
8tfn_H_L_B_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tfn_H_L_B_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 3.557810068130493,
|
| 7 |
+
"cdr": 1.0459745526313782,
|
| 8 |
+
"framework": 3.3680830001831055,
|
| 9 |
+
"cdr_fw_aligned": 5.363087177276611
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1756,
|
| 12 |
+
"num_gt_atoms": 1584,
|
| 13 |
+
"num_aligned_atoms": 1584,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9020501138952164,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 3.7631328105926514,
|
| 22 |
+
"cdr": 1.6914780139923096,
|
| 23 |
+
"framework": 3.6115057468414307,
|
| 24 |
+
"cdr_fw_aligned": 5.2564311027526855,
|
| 25 |
+
"cdr1": 0.653446614742279,
|
| 26 |
+
"cdr2": 0.3410645127296448,
|
| 27 |
+
"cdr3": 2.057807207107544,
|
| 28 |
+
"cdr1_fw_aligned": 6.575761795043945,
|
| 29 |
+
"cdr2_fw_aligned": 5.611723899841309,
|
| 30 |
+
"cdr3_fw_aligned": 3.7928664684295654,
|
| 31 |
+
"num_residues": 197,
|
| 32 |
+
"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 3.352487325668335,
|
| 37 |
+
"cdr": 0.4004710912704468,
|
| 38 |
+
"framework": 3.1246602535247803,
|
| 39 |
+
"cdr_fw_aligned": 5.469743251800537,
|
| 40 |
+
"cdr1": 0.33702796697616577,
|
| 41 |
+
"cdr2": 0.2686128616333008,
|
| 42 |
+
"cdr3": 0.27627623081207275,
|
| 43 |
+
"cdr1_fw_aligned": 6.1556901931762695,
|
| 44 |
+
"cdr2_fw_aligned": 4.9784393310546875,
|
| 45 |
+
"cdr3_fw_aligned": 4.9156928062438965,
|
| 46 |
+
"num_residues": 199,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 900,
|
| 51 |
+
"num_gt_atoms": 788,
|
| 52 |
+
"num_aligned_atoms": 788
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 856,
|
| 56 |
+
"num_gt_atoms": 796,
|
| 57 |
+
"num_aligned_atoms": 796
|
| 58 |
+
}
|
| 59 |
+
}
|
8tl3_G_H_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tl3_G_H_AB_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.558106392621994,
|
| 7 |
+
"cdr": 1.597132921218872,
|
| 8 |
+
"framework": 0.6365053355693817,
|
| 9 |
+
"cdr_fw_aligned": 3.110275089740753
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1804,
|
| 12 |
+
"num_gt_atoms": 944,
|
| 13 |
+
"num_aligned_atoms": 944,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.5232815964523282,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "G",
|
| 21 |
+
"total": 2.342276096343994,
|
| 22 |
+
"cdr": 2.7598018646240234,
|
| 23 |
+
"framework": 0.48146671056747437,
|
| 24 |
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"cdr_fw_aligned": 5.369889259338379,
|
| 25 |
+
"cdr1": 0.39211776852607727,
|
| 26 |
+
"cdr2": 1.1280514001846313,
|
| 27 |
+
"cdr3": 2.5073301792144775,
|
| 28 |
+
"cdr1_fw_aligned": 0.8012253642082214,
|
| 29 |
+
"cdr2_fw_aligned": 2.1611576080322266,
|
| 30 |
+
"cdr3_fw_aligned": 6.917740345001221,
|
| 31 |
+
"num_residues": 126,
|
| 32 |
+
"num_cdr_residues": 31
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "H",
|
| 36 |
+
"total": 0.7739366888999939,
|
| 37 |
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"cdr": 0.4344639778137207,
|
| 38 |
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"framework": 0.7915439605712891,
|
| 39 |
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"cdr_fw_aligned": 0.8506609201431274,
|
| 40 |
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"cdr1": 0.2690024971961975,
|
| 41 |
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"cdr2": 0.31189465522766113,
|
| 42 |
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"cdr3": 0.41076236963272095,
|
| 43 |
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"cdr1_fw_aligned": 1.07083261013031,
|
| 44 |
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"cdr2_fw_aligned": 0.4942512512207031,
|
| 45 |
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"cdr3_fw_aligned": 0.7611450552940369,
|
| 46 |
+
"num_residues": 110,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 948,
|
| 51 |
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"num_gt_atoms": 504,
|
| 52 |
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"num_aligned_atoms": 504
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 856,
|
| 56 |
+
"num_gt_atoms": 440,
|
| 57 |
+
"num_aligned_atoms": 440
|
| 58 |
+
}
|
| 59 |
+
}
|
8tl3_G_H_AB_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
|
|
|
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|
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|
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|
|
|
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|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tl3_G_H_AB_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
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"total": 1.962518721818924,
|
| 7 |
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"cdr": 1.849718987941742,
|
| 8 |
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"framework": 0.5973901450634003,
|
| 9 |
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"cdr_fw_aligned": 4.310404717922211
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 1804,
|
| 12 |
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"num_gt_atoms": 944,
|
| 13 |
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"num_aligned_atoms": 944,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.5232815964523282,
|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "G",
|
| 21 |
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"total": 3.2216877937316895,
|
| 22 |
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"cdr": 3.1997597217559814,
|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 2.174595832824707,
|
| 30 |
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|
| 31 |
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"num_residues": 126,
|
| 32 |
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"num_cdr_residues": 31
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "H",
|
| 36 |
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"total": 0.7033496499061584,
|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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"cdr1_fw_aligned": 0.9073716402053833,
|
| 44 |
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"cdr2_fw_aligned": 0.696063756942749,
|
| 45 |
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|
| 46 |
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"num_residues": 110,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 504
|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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"num_gt_atoms": 440,
|
| 57 |
+
"num_aligned_atoms": 440
|
| 58 |
+
}
|
| 59 |
+
}
|
8tng_H__E_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tng_H__E_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 2.3577451705932617,
|
| 7 |
+
"cdr": 3.1683614253997803,
|
| 8 |
+
"framework": 1.2084074020385742,
|
| 9 |
+
"cdr_fw_aligned": 4.682882785797119
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 484,
|
| 12 |
+
"num_gt_atoms": 484,
|
| 13 |
+
"num_aligned_atoms": 484,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 1.0,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 2.3577451705932617,
|
| 22 |
+
"cdr": 3.1683614253997803,
|
| 23 |
+
"framework": 1.2084074020385742,
|
| 24 |
+
"cdr_fw_aligned": 4.682882785797119,
|
| 25 |
+
"cdr1": 1.5476361513137817,
|
| 26 |
+
"cdr2": 0.7919299006462097,
|
| 27 |
+
"cdr3": 3.210653305053711,
|
| 28 |
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"cdr1_fw_aligned": 4.198096752166748,
|
| 29 |
+
"cdr2_fw_aligned": 1.57960045337677,
|
| 30 |
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"cdr3_fw_aligned": 5.396396636962891,
|
| 31 |
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"num_residues": 121,
|
| 32 |
+
"num_cdr_residues": 26
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 484,
|
| 36 |
+
"num_gt_atoms": 484,
|
| 37 |
+
"num_aligned_atoms": 484
|
| 38 |
+
}
|
| 39 |
+
}
|
8tnj_D_C_A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
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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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| 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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|
8tnn_H_G_C_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
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|
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|
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|
|
| 1 |
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{
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| 2 |
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"entry": "8tnn_H_G_C_sample_4",
|
| 3 |
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|
| 4 |
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|
| 5 |
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| 6 |
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| 7 |
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| 8 |
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|
| 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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| 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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|
8too_B_A_I_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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|
|
|
|
|
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|
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|
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|
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|
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|
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|
|
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|
|
|
|
|
| 1 |
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{
|
| 2 |
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|
| 3 |
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|
| 4 |
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|
| 5 |
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|
| 6 |
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| 7 |
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| 8 |
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| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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| 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 |
+
}
|
| 59 |
+
}
|
8too_B_A_I_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
|
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|
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|
|
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|
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|
|
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|
|
|
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|
|
|
|
|
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|
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|
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|
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|
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|
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|
|
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|
|
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|
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|
|
|
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|
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|
|
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|
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|
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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": "8too_B_A_I_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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|
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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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|
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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 |
+
}
|
8tp4_H_L_C_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
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|
|
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|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8tp4_H_L_C_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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| 18 |
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| 19 |
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| 21 |
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| 33 |
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| 34 |
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| 35 |
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| 36 |
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| 48 |
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| 51 |
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| 52 |
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| 53 |
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| 54 |
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| 58 |
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| 59 |
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