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- 7vgs_D_C_A_sample_2_rmsd_backbone.json +59 -0
- 7xic_K_L_B_sample_1_rmsd_backbone.json +59 -0
- 8e1m_H_L_C_sample_2_rmsd.json +59 -0
- 8e1m_H_L_C_sample_2_rmsd_backbone.json +59 -0
- 8e1m_H_L_C_sample_3_rmsd.json +59 -0
- 8e1m_H_L_C_sample_4_rmsd.json +59 -0
- 8q7o_A__C_sample_2_rmsd_backbone.json +39 -0
- 8q7s_F__D_sample_3_rmsd_backbone.json +39 -0
- 8q94_C__A_sample_0_rmsd_backbone.json +39 -0
- 8qf5_G__H_sample_3_rmsd_backbone.json +39 -0
- 8qz1_C__B_sample_2_rmsd_backbone.json +39 -0
- 8qz3_C__B_sample_3_rmsd_backbone.json +39 -0
- 8qz6_B__A_sample_0_rmsd.json +39 -0
- 8qz6_B__A_sample_1_rmsd.json +39 -0
- 8qz7_B__A_sample_0_rmsd_backbone.json +39 -0
- 8r40_A_a_C_sample_0_rmsd.json +59 -0
- 8r40_A_a_C_sample_1_rmsd.json +59 -0
- 8r4b_B__A_sample_4_rmsd_backbone.json +39 -0
- 8r80_H_L_R_sample_2_rmsd.json +59 -0
- 8r80_H_L_R_sample_3_rmsd.json +59 -0
- 8r80_H_L_R_sample_3_rmsd_backbone.json +59 -0
- 8r80_H_L_R_sample_4_rmsd.json +59 -0
- 8r8k_H_L_A_sample_1_rmsd_backbone.json +59 -0
- 8rek_H_L_A_sample_3_rmsd_backbone.json +59 -0
- 8rh0_H_L_A_sample_2_rmsd_backbone.json +59 -0
- 8rh2_H_L_B_sample_0_rmsd_backbone.json +59 -0
- 8rvn_H_L_F_sample_3_rmsd_backbone.json +59 -0
- 8rz2_B_C_A_sample_3_rmsd_backbone.json +59 -0
- 8s0l_B__A_sample_2_rmsd.json +39 -0
- 8s0l_B__A_sample_3_rmsd.json +39 -0
- 8s0l_B__A_sample_4_rmsd.json +39 -0
- 8s5w_B__A_sample_0_rmsd.json +39 -0
- 8s5w_B__A_sample_1_rmsd.json +39 -0
- 8s5w_B__A_sample_3_rmsd.json +39 -0
- 8scx_H_L_C_sample_0_rmsd.json +59 -0
- 8scx_H_L_C_sample_1_rmsd.json +59 -0
- 8scx_H_L_C_sample_3_rmsd_backbone.json +59 -0
- 8sdg_G_I_C_sample_2_rmsd.json +59 -0
- 8sdg_G_I_C_sample_3_rmsd.json +59 -0
- 8sdg_G_I_C_sample_4_rmsd.json +59 -0
- 8sfx_D__B_sample_2_rmsd.json +39 -0
- 8sfx_D__B_sample_3_rmsd.json +39 -0
- 8sfx_D__B_sample_4_rmsd.json +39 -0
- 8sgi_H_L_A_sample_0_rmsd.json +59 -0
- 8sgi_H_L_A_sample_1_rmsd.json +59 -0
- 8sgi_H_L_A_sample_3_rmsd_backbone.json +59 -0
- 8sgj_H_L_A_sample_2_rmsd.json +59 -0
- 8sgj_H_L_A_sample_3_rmsd.json +59 -0
- 8sgj_H_L_A_sample_3_rmsd_backbone.json +59 -0
- 8sgj_H_L_A_sample_4_rmsd.json +59 -0
7vgs_D_C_A_sample_2_rmsd_backbone.json
ADDED
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{
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"entry": "7vgs_D_C_A_sample_2",
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"success": true,
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"error": null,
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"rmsd": {
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"total": 0.979229211807251,
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"cdr": 1.1279534101486206,
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"framework": 0.900302529335022,
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"num_pred_atoms": 1788,
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"num_gt_atoms": 1724,
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"num_aligned_atoms": 1724,
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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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"total": 0.8230067491531372,
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"cdr": 0.9990003108978271,
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"framework": 0.7943743467330933,
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"cdr_fw_aligned": 1.116804838180542,
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"cdr3": 0.578818678855896,
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"cdr1_fw_aligned": 1.304598093032837,
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"cdr2_fw_aligned": 0.9880313277244568,
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"cdr3_fw_aligned": 0.9262902140617371,
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"num_residues": 213,
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"num_cdr_residues": 17
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},
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"light_chain": {
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"chain_id": "C",
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"total": 1.1354516744613647,
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"cdr": 1.256906509399414,
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"framework": 1.0062307119369507,
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"cdr_fw_aligned": 1.842111349105835,
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"cdr1": 1.3338099718093872,
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"cdr2": 0.9016351699829102,
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"cdr3": 1.0256495475769043,
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"cdr1_fw_aligned": 2.2595996856689453,
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"cdr2_fw_aligned": 1.196649193763733,
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"cdr3_fw_aligned": 1.4369324445724487,
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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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"num_aligned_atoms": 852
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"light_chain_atom_counts": {
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"num_aligned_atoms": 872
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}
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7xic_K_L_B_sample_1_rmsd_backbone.json
ADDED
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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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"rmsd": {
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"total": 0.9521584808826447,
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"cdr": 1.4819263219833374,
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"framework": 0.4900669455528259,
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"cdr_fw_aligned": 1.6934132277965546
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},
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"num_pred_atoms": 948,
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| 12 |
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"num_gt_atoms": 948,
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"num_aligned_atoms": 948,
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| 14 |
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"alignment_coverage": {
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| 15 |
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"pred_coverage": 1.0,
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| 16 |
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"gt_coverage": 1.0,
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| 17 |
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"full_coverage": true
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},
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"heavy_chain": {
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| 20 |
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"chain_id": "K",
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"total": 1.373842716217041,
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"cdr": 2.376793622970581,
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"framework": 0.4926206171512604,
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"cdr_fw_aligned": 2.7326576709747314,
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"cdr1": 0.2862592339515686,
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"cdr2": 0.2627631425857544,
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"cdr3": 2.3586437702178955,
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"cdr1_fw_aligned": 0.4545951783657074,
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"cdr2_fw_aligned": 0.5314671993255615,
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| 30 |
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"cdr3_fw_aligned": 3.522979259490967,
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| 31 |
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"num_residues": 129,
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| 32 |
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"num_cdr_residues": 32
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"light_chain": {
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| 35 |
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"chain_id": "L",
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"num_residues": 108,
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| 48 |
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"heavy_chain_atom_counts": {
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"light_chain_atom_counts": {
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"num_aligned_atoms": 432
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| 58 |
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}
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| 59 |
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}
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8e1m_H_L_C_sample_2_rmsd.json
ADDED
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{
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"entry": "8e1m_H_L_C_sample_2",
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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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"total": 0.9568305313587189,
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| 10 |
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| 12 |
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| 13 |
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"alignment_coverage": {
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| 15 |
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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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| 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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| 44 |
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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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| 51 |
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| 52 |
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| 53 |
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},
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| 54 |
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"light_chain_atom_counts": {
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| 56 |
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| 57 |
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| 58 |
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}
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| 59 |
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}
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8e1m_H_L_C_sample_2_rmsd_backbone.json
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{
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"entry": "8e1m_H_L_C_sample_2",
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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": 0.6362661719322205,
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| 7 |
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"cdr": 0.6166540384292603,
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| 8 |
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"framework": 0.5866996347904205,
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| 9 |
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"cdr_fw_aligned": 0.8898754119873047
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| 10 |
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},
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| 11 |
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"num_pred_atoms": 1904,
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| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 1.7264750003814697,
|
| 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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"total": 0.5040084719657898,
|
| 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": 0.32377564907073975,
|
| 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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"num_gt_atoms": 468,
|
| 52 |
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"num_aligned_atoms": 468
|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 444,
|
| 57 |
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"num_aligned_atoms": 444
|
| 58 |
+
}
|
| 59 |
+
}
|
8e1m_H_L_C_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
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|
|
|
|
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|
|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
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|
|
|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8e1m_H_L_C_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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"pred_coverage": 0.4454495614035088,
|
| 16 |
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"gt_coverage": 0.9349827387802071,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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"total": 0.9940575957298279,
|
| 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": 0.4594637453556061,
|
| 29 |
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"cdr2_fw_aligned": 1.4185600280761719,
|
| 30 |
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"cdr3_fw_aligned": 1.9852560758590698,
|
| 31 |
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"num_residues": 117,
|
| 32 |
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"num_cdr_residues": 21
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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"total": 0.8710203766822815,
|
| 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": 0.6658305525779724,
|
| 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": 779
|
| 58 |
+
}
|
| 59 |
+
}
|
8e1m_H_L_C_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
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|
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|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8e1m_H_L_C_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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},
|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 779
|
| 58 |
+
}
|
| 59 |
+
}
|
8q7o_A__C_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
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|
|
|
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|
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|
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|
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|
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|
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|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8q7o_A__C_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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"cdr_fw_aligned": 1.9395692348480225
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 496,
|
| 12 |
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"num_gt_atoms": 480,
|
| 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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|
| 20 |
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"chain_id": "A",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"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 |
+
}
|
8q7s_F__D_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
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|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8q7s_F__D_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.3812557458877563,
|
| 7 |
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"cdr": 2.195091485977173,
|
| 8 |
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"framework": 0.5825943350791931,
|
| 9 |
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"cdr_fw_aligned": 2.7297675609588623
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 524,
|
| 12 |
+
"num_gt_atoms": 512,
|
| 13 |
+
"num_aligned_atoms": 512,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9770992366412213,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "F",
|
| 21 |
+
"total": 1.3812557458877563,
|
| 22 |
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"cdr": 2.195091485977173,
|
| 23 |
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"framework": 0.5825943350791931,
|
| 24 |
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"cdr_fw_aligned": 2.7297675609588623,
|
| 25 |
+
"cdr1": 2.3259685039520264,
|
| 26 |
+
"cdr2": 0.284675657749176,
|
| 27 |
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"cdr3": 1.6241610050201416,
|
| 28 |
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"cdr1_fw_aligned": 4.566018104553223,
|
| 29 |
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"cdr2_fw_aligned": 0.7564238905906677,
|
| 30 |
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"cdr3_fw_aligned": 2.1652679443359375,
|
| 31 |
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"num_residues": 128,
|
| 32 |
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"num_cdr_residues": 32
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
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"num_pred_atoms": 524,
|
| 36 |
+
"num_gt_atoms": 512,
|
| 37 |
+
"num_aligned_atoms": 512
|
| 38 |
+
}
|
| 39 |
+
}
|
8q94_C__A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
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|
|
|
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|
|
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|
| 1 |
+
{
|
| 2 |
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"entry": "8q94_C__A_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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"framework": 0.852158784866333,
|
| 9 |
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"cdr_fw_aligned": 4.177777290344238
|
| 10 |
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|
| 11 |
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|
| 12 |
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"num_gt_atoms": 508,
|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9621212121212122,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "C",
|
| 21 |
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"total": 2.127980947494507,
|
| 22 |
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"cdr": 3.407478094100952,
|
| 23 |
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"framework": 0.852158784866333,
|
| 24 |
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"cdr_fw_aligned": 4.177777290344238,
|
| 25 |
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"cdr1": 1.6764005422592163,
|
| 26 |
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"cdr2": 0.3948765993118286,
|
| 27 |
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"cdr3": 3.1718292236328125,
|
| 28 |
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"cdr1_fw_aligned": 3.837038993835449,
|
| 29 |
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"cdr2_fw_aligned": 1.0136620998382568,
|
| 30 |
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"cdr3_fw_aligned": 4.862843036651611,
|
| 31 |
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"num_residues": 127,
|
| 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": 528,
|
| 36 |
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"num_gt_atoms": 508,
|
| 37 |
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"num_aligned_atoms": 508
|
| 38 |
+
}
|
| 39 |
+
}
|
8qf5_G__H_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qf5_G__H_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.5245306491851807,
|
| 7 |
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"cdr": 2.9659688472747803,
|
| 8 |
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"framework": 1.6966503858566284,
|
| 9 |
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"cdr_fw_aligned": 5.286731243133545
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 480,
|
| 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 |
+
"pred_coverage": 1.0,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "G",
|
| 21 |
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"total": 2.5245306491851807,
|
| 22 |
+
"cdr": 2.9659688472747803,
|
| 23 |
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"framework": 1.6966503858566284,
|
| 24 |
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"cdr_fw_aligned": 5.286731243133545,
|
| 25 |
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"cdr1": 2.7173497676849365,
|
| 26 |
+
"cdr2": 0.24033096432685852,
|
| 27 |
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"cdr3": 2.9288618564605713,
|
| 28 |
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"cdr1_fw_aligned": 3.81712007522583,
|
| 29 |
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"cdr2_fw_aligned": 0.61652010679245,
|
| 30 |
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"cdr3_fw_aligned": 7.148397445678711,
|
| 31 |
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"num_residues": 120,
|
| 32 |
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"num_cdr_residues": 22
|
| 33 |
+
},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 480,
|
| 36 |
+
"num_gt_atoms": 480,
|
| 37 |
+
"num_aligned_atoms": 480
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz1_C__B_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz1_C__B_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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"cdr_fw_aligned": 2.421673536300659
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 544,
|
| 12 |
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"num_gt_atoms": 516,
|
| 13 |
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"num_aligned_atoms": 516,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9485294117647058,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "C",
|
| 21 |
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"total": 1.4059900045394897,
|
| 22 |
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"cdr": 1.891116976737976,
|
| 23 |
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"framework": 1.0232741832733154,
|
| 24 |
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"cdr_fw_aligned": 2.421673536300659,
|
| 25 |
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"cdr1": 2.5110392570495605,
|
| 26 |
+
"cdr2": 0.2840583324432373,
|
| 27 |
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"cdr3": 0.8203303813934326,
|
| 28 |
+
"cdr1_fw_aligned": 4.065960884094238,
|
| 29 |
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"cdr2_fw_aligned": 2.021440029144287,
|
| 30 |
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"cdr3_fw_aligned": 1.4489980936050415,
|
| 31 |
+
"num_residues": 129,
|
| 32 |
+
"num_cdr_residues": 30
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 544,
|
| 36 |
+
"num_gt_atoms": 516,
|
| 37 |
+
"num_aligned_atoms": 516
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz3_C__B_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz3_C__B_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 548,
|
| 12 |
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"num_gt_atoms": 508,
|
| 13 |
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"num_aligned_atoms": 508,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.927007299270073,
|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "C",
|
| 21 |
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"total": 0.7665210366249084,
|
| 22 |
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"cdr": 1.1781638860702515,
|
| 23 |
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|
| 24 |
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|
| 25 |
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"cdr1": 1.3152774572372437,
|
| 26 |
+
"cdr2": 0.30376577377319336,
|
| 27 |
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"cdr3": 0.8874102830886841,
|
| 28 |
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"cdr1_fw_aligned": 1.7555235624313354,
|
| 29 |
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"cdr2_fw_aligned": 0.6370800137519836,
|
| 30 |
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|
| 31 |
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"num_residues": 127,
|
| 32 |
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"num_cdr_residues": 31
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 548,
|
| 36 |
+
"num_gt_atoms": 508,
|
| 37 |
+
"num_aligned_atoms": 508
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz6_B__A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz6_B__A_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.3474661111831665,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 1061,
|
| 12 |
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"num_gt_atoms": 913,
|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.7917059377945335,
|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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"cdr1": 0.8334001898765564,
|
| 26 |
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|
| 27 |
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"cdr3": 2.0701358318328857,
|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 30
|
| 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": 913,
|
| 37 |
+
"num_aligned_atoms": 840
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz6_B__A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz6_B__A_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.4397066831588745,
|
| 7 |
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|
| 8 |
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|
| 9 |
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"cdr_fw_aligned": 2.495579481124878
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 1061,
|
| 12 |
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"num_gt_atoms": 913,
|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.7917059377945335,
|
| 16 |
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"gt_coverage": 0.9200438116100766,
|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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"total": 1.4397066831588745,
|
| 22 |
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"cdr": 2.1317667961120605,
|
| 23 |
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"framework": 1.101438283920288,
|
| 24 |
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"cdr_fw_aligned": 2.495579481124878,
|
| 25 |
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"cdr1": 0.809453547000885,
|
| 26 |
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"cdr2": 0.4426162540912628,
|
| 27 |
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|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 0.5278886556625366,
|
| 30 |
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|
| 31 |
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"num_residues": 124,
|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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"num_pred_atoms": 1061,
|
| 36 |
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"num_gt_atoms": 913,
|
| 37 |
+
"num_aligned_atoms": 840
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz7_B__A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
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|
|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8qz7_B__A_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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"cdr_fw_aligned": 2.230079412460327
|
| 10 |
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},
|
| 11 |
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|
| 12 |
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"num_gt_atoms": 496,
|
| 13 |
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"num_aligned_atoms": 496,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9117647058823529,
|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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"total": 1.1434744596481323,
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| 22 |
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| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 1.0788320302963257,
|
| 29 |
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"cdr2_fw_aligned": 0.6300585269927979,
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| 30 |
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"cdr3_fw_aligned": 2.8560452461242676,
|
| 31 |
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"num_residues": 124,
|
| 32 |
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"num_cdr_residues": 30
|
| 33 |
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|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
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"num_gt_atoms": 496,
|
| 37 |
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"num_aligned_atoms": 496
|
| 38 |
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}
|
| 39 |
+
}
|
8r40_A_a_C_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
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|
|
|
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|
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|
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|
|
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|
|
|
|
|
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|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8r40_A_a_C_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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"cdr_fw_aligned": 30.687979698181152
|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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"pred_coverage": 0.8212017586712261,
|
| 16 |
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"gt_coverage": 0.9256607929515418,
|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "A",
|
| 21 |
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"total": 15.914796829223633,
|
| 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": 26.997739791870117,
|
| 29 |
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"cdr2_fw_aligned": 25.190528869628906,
|
| 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": "A",
|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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"cdr_fw_aligned": 30.178245544433594,
|
| 40 |
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|
| 41 |
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"cdr2": 0.5230096578598022,
|
| 42 |
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"cdr3": 1.3562493324279785,
|
| 43 |
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"cdr1_fw_aligned": 30.457599639892578,
|
| 44 |
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"cdr2_fw_aligned": 31.005281448364258,
|
| 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": 1681
|
| 58 |
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}
|
| 59 |
+
}
|
8r40_A_a_C_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8r40_A_a_C_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 16.271371841430664,
|
| 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": "A",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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| 38 |
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|
| 39 |
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| 40 |
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| 41 |
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| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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}
|
| 59 |
+
}
|
8r4b_B__A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r4b_B__A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.7848803997039795,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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"num_gt_atoms": 428,
|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.781021897810219,
|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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"num_gt_atoms": 428,
|
| 37 |
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"num_aligned_atoms": 428
|
| 38 |
+
}
|
| 39 |
+
}
|
8r80_H_L_R_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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|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8r80_H_L_R_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.2548783719539642,
|
| 7 |
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"cdr": 2.1449368596076965,
|
| 8 |
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"framework": 1.0521526038646698,
|
| 9 |
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"cdr_fw_aligned": 2.479966789484024
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 3342,
|
| 12 |
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"num_gt_atoms": 3268,
|
| 13 |
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"num_aligned_atoms": 3178,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9509275882704967,
|
| 16 |
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"gt_coverage": 0.9724602203182374,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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"total": 1.5453332662582397,
|
| 22 |
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"cdr": 3.407647132873535,
|
| 23 |
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|
| 24 |
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|
| 25 |
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"cdr1": 0.5775467157363892,
|
| 26 |
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|
| 27 |
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"cdr3": 3.141101598739624,
|
| 28 |
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"cdr1_fw_aligned": 1.1508673429489136,
|
| 29 |
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|
| 30 |
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|
| 31 |
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"num_residues": 220,
|
| 32 |
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"num_cdr_residues": 23
|
| 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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"num_cdr_residues": 27
|
| 48 |
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},
|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 1599
|
| 58 |
+
}
|
| 59 |
+
}
|
8r80_H_L_R_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
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|
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|
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|
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|
|
|
|
|
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|
|
|
|
|
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|
|
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|
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|
|
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|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8r80_H_L_R_sample_3",
|
| 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 |
+
}
|
8r80_H_L_R_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
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|
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|
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|
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|
|
|
|
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|
|
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|
|
|
|
|
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|
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|
|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
|
|
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|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8r80_H_L_R_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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| 16 |
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|
| 17 |
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|
| 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 |
+
}
|
8r80_H_L_R_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8r80_H_L_R_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
+
}
|
| 59 |
+
}
|
8r8k_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8r8k_H_L_A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
+
},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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"total": 0.6675267815589905,
|
| 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": 428,
|
| 57 |
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"num_aligned_atoms": 428
|
| 58 |
+
}
|
| 59 |
+
}
|
8rek_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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|
|
| 1 |
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{
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| 2 |
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| 3 |
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|
| 4 |
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|
| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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| 10 |
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| 11 |
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| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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| 16 |
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|
| 17 |
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|
| 18 |
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| 19 |
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|
| 20 |
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|
| 21 |
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| 22 |
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|
| 23 |
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| 24 |
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|
| 25 |
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|
| 26 |
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| 27 |
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| 28 |
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| 29 |
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| 30 |
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| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 41 |
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| 42 |
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| 43 |
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| 44 |
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| 45 |
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| 46 |
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| 47 |
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|
| 48 |
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|
| 49 |
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| 50 |
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|
| 51 |
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| 52 |
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| 53 |
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| 54 |
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|
| 55 |
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|
| 56 |
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| 57 |
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|
| 58 |
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}
|
| 59 |
+
}
|
8rh0_H_L_A_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
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|
|
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|
|
|
|
|
|
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|
|
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|
|
|
|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 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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|
| 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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}
|
8rh2_H_L_B_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
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|
|
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|
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|
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|
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|
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|
|
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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": "8rh2_H_L_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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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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| 38 |
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|
| 39 |
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| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
+
}
|
| 59 |
+
}
|
8rvn_H_L_F_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
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|
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|
|
|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8rvn_H_L_F_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 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_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
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|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8rz2_B_C_A_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 8.264068603515625,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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| 11 |
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| 12 |
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| 13 |
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| 14 |
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| 15 |
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| 16 |
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| 17 |
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| 18 |
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| 19 |
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| 20 |
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| 21 |
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| 22 |
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| 23 |
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| 24 |
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| 25 |
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| 26 |
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| 27 |
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| 28 |
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| 29 |
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| 30 |
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| 31 |
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| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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| 36 |
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| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 41 |
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| 42 |
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| 43 |
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| 44 |
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| 45 |
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| 46 |
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| 47 |
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| 48 |
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| 49 |
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| 50 |
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| 51 |
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| 52 |
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| 53 |
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| 54 |
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| 55 |
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| 56 |
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| 57 |
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|
| 58 |
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|
| 59 |
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|
8s0l_B__A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
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|
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|
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|
|
|
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|
|
| 1 |
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{
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| 2 |
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"entry": "8s0l_B__A_sample_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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|
8s0l_B__A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
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|
|
|
|
|
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|
|
|
|
|
|
|
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|
| 1 |
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{
|
| 2 |
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"entry": "8s0l_B__A_sample_3",
|
| 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 |
+
}
|
8s0l_B__A_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
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|
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|
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|
| 1 |
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{
|
| 2 |
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"entry": "8s0l_B__A_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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| 25 |
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| 26 |
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| 27 |
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| 29 |
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| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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}
|
| 39 |
+
}
|
8s5w_B__A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
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|
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|
| 1 |
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{
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| 2 |
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"entry": "8s5w_B__A_sample_0",
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| 3 |
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|
| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 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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| 25 |
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| 26 |
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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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}
|
8s5w_B__A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
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| 1 |
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{
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| 2 |
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"entry": "8s5w_B__A_sample_1",
|
| 3 |
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|
| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 10 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 25 |
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|
| 26 |
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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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}
|
8s5w_B__A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
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|
| 1 |
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{
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| 2 |
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|
| 3 |
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|
| 4 |
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|
| 5 |
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|
| 6 |
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| 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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|
8scx_H_L_C_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
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|
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|
|
|
|
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|
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|
|
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|
|
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|
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|
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|
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|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8scx_H_L_C_sample_0",
|
| 3 |
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|
| 4 |
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"error": null,
|
| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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| 23 |
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| 24 |
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| 25 |
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| 26 |
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| 27 |
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| 28 |
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| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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}
|
| 59 |
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|
8scx_H_L_C_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
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|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8scx_H_L_C_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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|
| 5 |
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|
| 6 |
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| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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| 39 |
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| 40 |
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| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
+
}
|
| 59 |
+
}
|
8scx_H_L_C_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
|
|
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|
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|
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|
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|
|
|
|
|
|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8scx_H_L_C_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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}
|
| 59 |
+
}
|
8sdg_G_I_C_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
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|
|
|
|
|
|
|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8sdg_G_I_C_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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"total": 2.324072241783142,
|
| 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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|
| 20 |
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|
| 21 |
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"total": 2.682220935821533,
|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
+
},
|
| 34 |
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|
| 35 |
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"chain_id": "I",
|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 1574
|
| 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": 1575
|
| 58 |
+
}
|
| 59 |
+
}
|
8sdg_G_I_C_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
|
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|
|
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|
|
|
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|
|
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|
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|
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|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8sdg_G_I_C_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "I",
|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 1575
|
| 58 |
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}
|
| 59 |
+
}
|
8sdg_G_I_C_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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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": "8sdg_G_I_C_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 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": 1575
|
| 58 |
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}
|
| 59 |
+
}
|
8sfx_D__B_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8sfx_D__B_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 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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}
|
8sfx_D__B_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
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|
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|
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|
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|
| 1 |
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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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|
| 5 |
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| 6 |
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|
| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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| 23 |
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| 24 |
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|
| 25 |
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|
| 26 |
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| 27 |
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|
| 28 |
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| 29 |
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| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
+
}
|
| 39 |
+
}
|
8sfx_D__B_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
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|
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|
| 1 |
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{
|
| 2 |
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"entry": "8sfx_D__B_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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| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 0.6402304768562317,
|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 25
|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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"num_gt_atoms": 902,
|
| 37 |
+
"num_aligned_atoms": 845
|
| 38 |
+
}
|
| 39 |
+
}
|
8sgi_H_L_A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
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|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8sgi_H_L_A_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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"framework": 0.9912700653076172,
|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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"cdr_fw_aligned": 0.9354082345962524,
|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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"cdr1_fw_aligned": 0.963312566280365,
|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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"num_cdr_residues": 30
|
| 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": 757
|
| 58 |
+
}
|
| 59 |
+
}
|
8sgi_H_L_A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8sgi_H_L_A_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
+
}
|
| 59 |
+
}
|
8sgi_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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|
|
|
|
|
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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": "8sgi_H_L_A_sample_3",
|
| 3 |
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|
| 4 |
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|
| 5 |
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|
| 6 |
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| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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| 23 |
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| 24 |
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| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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| 38 |
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| 39 |
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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 |
+
}
|
8sgj_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "8sgj_H_L_A_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
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| 40 |
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|
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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"num_pred_atoms": 1872,
|
| 51 |
+
"num_gt_atoms": 941,
|
| 52 |
+
"num_aligned_atoms": 876
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
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|
| 56 |
+
"num_gt_atoms": 816,
|
| 57 |
+
"num_aligned_atoms": 741
|
| 58 |
+
}
|
| 59 |
+
}
|
8sgj_H_L_A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
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| 1 |
+
{
|
| 2 |
+
"entry": "8sgj_H_L_A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
+
},
|
| 11 |
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|
| 12 |
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|
| 13 |
+
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|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.4744718309859155,
|
| 16 |
+
"gt_coverage": 0.9203187250996016,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
+
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|
| 29 |
+
"cdr2_fw_aligned": 1.0263887643814087,
|
| 30 |
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|
| 31 |
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"num_residues": 121,
|
| 32 |
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|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 0.9279460906982422,
|
| 37 |
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"cdr": 0.6194803714752197,
|
| 38 |
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"framework": 0.987981379032135,
|
| 39 |
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"cdr_fw_aligned": 0.6892458200454712,
|
| 40 |
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"cdr1": 0.47488388419151306,
|
| 41 |
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|
| 42 |
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"cdr3": 0.7452917695045471,
|
| 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": 816,
|
| 57 |
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"num_aligned_atoms": 741
|
| 58 |
+
}
|
| 59 |
+
}
|
8sgj_H_L_A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
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|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sgj_H_L_A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 0.9273883998394012,
|
| 7 |
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"cdr": 1.208038330078125,
|
| 8 |
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"framework": 0.5875941216945648,
|
| 9 |
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|
| 10 |
+
},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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"cdr": 1.9181650876998901,
|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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"cdr3": 0.49853894114494324,
|
| 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": 440
|
| 58 |
+
}
|
| 59 |
+
}
|
8sgj_H_L_A_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
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|
|
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|
|
|
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|
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|
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|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "8sgj_H_L_A_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
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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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"num_cdr_residues": 30
|
| 48 |
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},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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}
|
| 59 |
+
}
|