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- 1bgx_H_L_T_sample_0_rmsd_backbone.json +59 -0
- 1eo8_H_L_A_sample_1_rmsd_backbone.json +59 -0
- 1h0d_B_A_C_sample_2_rmsd_backbone.json +59 -0
- 1p84_J_K_E_sample_0_rmsd_backbone.json +59 -0
- 1ua6_H_L_Y_sample_4_rmsd_backbone.json +59 -0
- 1uac_H_L_Y_sample_2_rmsd_backbone.json +59 -0
- 1uac_H_L_Y_sample_4_rmsd_backbone.json +59 -0
- 1v7m_I_M_X_sample_4_rmsd_backbone.json +59 -0
- 1vfb_B_A_C_sample_0_rmsd_backbone.json +59 -0
- 1yy9_D_C_A_sample_0_rmsd_backbone.json +59 -0
- 1yy9_D_C_A_sample_1_rmsd_backbone.json +59 -0
- 2ny0_D_C_A_sample_0_rmsd_backbone.json +59 -0
- 2p48_B__A_sample_0_rmsd_backbone.json +39 -0
- 2vc2_H_L_A_sample_1_rmsd_backbone.json +59 -0
- 2wub_R_Q_C_sample_4_rmsd_backbone.json +59 -0
- 3d9a_H_L_C_sample_3_rmsd_backbone.json +59 -0
- 3hfm_H_L_Y_sample_0_rmsd_backbone.json +59 -0
- 3hfm_H_L_Y_sample_1_rmsd_backbone.json +59 -0
- 3ldb_C_B_A_sample_3_rmsd_backbone.json +59 -0
- 3nif_E_F_C_sample_4_rmsd_backbone.json +59 -0
- 3opz_I_M_B_sample_2_rmsd_backbone.json +59 -0
- 3p0g_B__A_sample_1_rmsd_backbone.json +39 -0
- 3qa3_B_A_E_sample_2_rmsd_backbone.json +59 -0
- 3rvw_D_C_A_sample_0_rmsd_backbone.json +59 -0
- 3ux9_B_b_A_sample_0_rmsd_backbone.json +59 -0
- 3wfd_H_L_BC_sample_2_rmsd_backbone.json +59 -0
- 3wfd_H_L_BC_sample_3_rmsd_backbone.json +59 -0
- 3zdy_H_L_AD_sample_2_rmsd_backbone.json +59 -0
- 3zdy_H_L_AD_sample_3_rmsd_backbone.json +59 -0
- 4aei_H_L_A_sample_2_rmsd_backbone.json +59 -0
- 4cmh_B_C_A_sample_2_rmsd_backbone.json +59 -0
- 4cmh_B_C_A_sample_4_rmsd_backbone.json +59 -0
- 4ffz_Z_Y_X_sample_0_rmsd_backbone.json +59 -0
- 4jlr_H_L_S_sample_3_rmsd_backbone.json +59 -0
- 4jm2_A_B_E_sample_2_rmsd_backbone.json +59 -0
- 4jm2_A_B_E_sample_4_rmsd_backbone.json +59 -0
- 4kkl_C_D_A_sample_1_rmsd_backbone.json +59 -0
- 4krp_D_C_A_sample_2_rmsd_backbone.json +59 -0
- 4krp_D_C_A_sample_4_rmsd_backbone.json +59 -0
- 4kv5_J_j_B_sample_2_rmsd_backbone.json +59 -0
- 4kv5_J_j_B_sample_3_rmsd_backbone.json +59 -0
- 4msw_A_B_C_sample_2_rmsd_backbone.json +59 -0
- 4msw_A_B_C_sample_4_rmsd_backbone.json +59 -0
- 4nc2_B__A_sample_3_rmsd_backbone.json +39 -0
- 4om1_H_L_G_sample_4_rmsd_backbone.json +59 -0
- 4pp1_D_C_B_sample_3_rmsd_backbone.json +59 -0
- 4ps4_H_L_A_sample_3_rmsd_backbone.json +59 -0
- 4rfn_B_C_A_sample_0_rmsd_backbone.json +59 -0
- 4rgo_H_L_S_sample_0_rmsd_backbone.json +59 -0
- 4rgo_H_L_S_sample_1_rmsd_backbone.json +59 -0
1bgx_H_L_T_sample_0_rmsd_backbone.json
ADDED
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{
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"entry": "1bgx_H_L_T_sample_0",
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"success": true,
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"error": null,
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"rmsd": {
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"total": 2.327123463153839,
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"cdr": 1.7983117699623108,
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"framework": 2.108484923839569,
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"cdr_fw_aligned": 4.007659316062927
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},
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"num_pred_atoms": 1692,
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"num_gt_atoms": 1676,
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"num_aligned_atoms": 1676,
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"alignment_coverage": {
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"pred_coverage": 0.9905437352245863,
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"gt_coverage": 1.0,
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"full_coverage": false
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},
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"heavy_chain": {
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"chain_id": "H",
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"total": 2.7858853340148926,
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"cdr": 1.91121506690979,
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"framework": 2.5098087787628174,
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"cdr_fw_aligned": 5.065426826477051,
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"cdr1": 1.2051180601119995,
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"cdr2": 0.8643022775650024,
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"cdr3": 1.5676860809326172,
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"cdr1_fw_aligned": 5.402755260467529,
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"cdr2_fw_aligned": 5.453408718109131,
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"cdr3_fw_aligned": 4.559954643249512,
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"num_residues": 209,
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"num_cdr_residues": 23
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},
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"light_chain": {
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"chain_id": "L",
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"total": 1.8683615922927856,
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"cdr": 1.6854084730148315,
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"framework": 1.7071610689163208,
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"cdr_fw_aligned": 2.9498918056488037,
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"cdr1": 1.0843101739883423,
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"cdr2": 0.8417487144470215,
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"cdr3": 1.8883275985717773,
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"cdr1_fw_aligned": 2.5424516201019287,
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"cdr2_fw_aligned": 2.6300618648529053,
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"cdr3_fw_aligned": 3.54632306098938,
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"num_residues": 210,
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"num_cdr_residues": 26
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"heavy_chain_atom_counts": {
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"num_pred_atoms": 852,
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"num_gt_atoms": 836,
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"num_aligned_atoms": 836
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"light_chain_atom_counts": {
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"num_pred_atoms": 840,
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}
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}
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1eo8_H_L_A_sample_1_rmsd_backbone.json
ADDED
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{
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"entry": "1eo8_H_L_A_sample_1",
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"success": true,
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"error": null,
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"rmsd": {
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"total": 1.5250003337860107,
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| 7 |
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"cdr": 1.5938232839107513,
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| 8 |
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"framework": 1.3431724905967712,
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"cdr_fw_aligned": 2.7464067935943604
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"num_pred_atoms": 1708,
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| 12 |
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"num_gt_atoms": 1708,
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| 13 |
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"num_aligned_atoms": 1708,
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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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| 18 |
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},
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"heavy_chain": {
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| 20 |
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"chain_id": "H",
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| 21 |
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"total": 1.5165785551071167,
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| 22 |
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"cdr": 2.4755966663360596,
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"framework": 1.1994831562042236,
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"cdr_fw_aligned": 3.334247589111328,
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"cdr1": 0.568249523639679,
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"cdr2": 0.8364258408546448,
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"cdr3": 2.4362666606903076,
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"cdr1_fw_aligned": 1.7172502279281616,
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"cdr2_fw_aligned": 1.9555741548538208,
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| 30 |
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"cdr3_fw_aligned": 4.725703716278076,
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| 31 |
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"num_residues": 217,
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| 32 |
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"num_cdr_residues": 22
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| 33 |
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},
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| 34 |
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"light_chain": {
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| 35 |
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"chain_id": "L",
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"cdr1_fw_aligned": 2.2396700382232666,
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"num_residues": 210,
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"num_cdr_residues": 25
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| 48 |
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"heavy_chain_atom_counts": {
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"num_pred_atoms": 868,
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| 53 |
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"light_chain_atom_counts": {
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"num_pred_atoms": 840,
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"num_aligned_atoms": 840
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| 58 |
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}
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| 59 |
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}
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1h0d_B_A_C_sample_2_rmsd_backbone.json
ADDED
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{
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"entry": "1h0d_B_A_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": 1.1131092309951782,
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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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"alignment_coverage": {
|
| 15 |
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| 16 |
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| 17 |
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| 18 |
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},
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| 19 |
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"heavy_chain": {
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| 20 |
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"chain_id": "B",
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| 21 |
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| 28 |
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| 30 |
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| 31 |
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|
| 32 |
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|
| 33 |
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| 34 |
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| 35 |
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| 36 |
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| 44 |
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"cdr2_fw_aligned": 0.8367730379104614,
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"cdr3_fw_aligned": 2.1262288093566895,
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| 46 |
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"num_residues": 216,
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| 47 |
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|
| 48 |
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| 49 |
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"heavy_chain_atom_counts": {
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| 50 |
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| 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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| 55 |
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"num_pred_atoms": 864,
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| 56 |
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"num_gt_atoms": 864,
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| 57 |
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"num_aligned_atoms": 864
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| 58 |
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}
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| 59 |
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}
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1p84_J_K_E_sample_0_rmsd_backbone.json
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{
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"entry": "1p84_J_K_E_sample_0",
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"success": true,
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| 4 |
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"error": null,
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| 5 |
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"rmsd": {
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| 6 |
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"total": 1.2870048582553864,
|
| 7 |
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"cdr": 1.8435949683189392,
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| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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"num_aligned_atoms": 936,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "J",
|
| 21 |
+
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|
| 22 |
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|
| 23 |
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"framework": 1.129783272743225,
|
| 24 |
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"cdr_fw_aligned": 2.8302102088928223,
|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 1.3085222244262695,
|
| 29 |
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"cdr2_fw_aligned": 0.9892823100090027,
|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 26
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "K",
|
| 36 |
+
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|
| 37 |
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|
| 38 |
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"framework": 0.8348501920700073,
|
| 39 |
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"cdr_fw_aligned": 1.3468457460403442,
|
| 40 |
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"cdr1": 0.8331047892570496,
|
| 41 |
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|
| 42 |
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"cdr3": 0.8752845525741577,
|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 428
|
| 58 |
+
}
|
| 59 |
+
}
|
1ua6_H_L_Y_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
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|
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|
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|
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|
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|
|
|
|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "1ua6_H_L_Y_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 0.6978625655174255,
|
| 7 |
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"cdr": 0.9020728766918182,
|
| 8 |
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"framework": 0.5399981439113617,
|
| 9 |
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|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 884,
|
| 12 |
+
"num_gt_atoms": 884,
|
| 13 |
+
"num_aligned_atoms": 884,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 1.0,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 0.8807921409606934,
|
| 22 |
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"cdr": 1.0908660888671875,
|
| 23 |
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|
| 24 |
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"cdr_fw_aligned": 1.6759135723114014,
|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 1.3052476644515991,
|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
+
"num_cdr_residues": 17
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
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"total": 0.5149329900741577,
|
| 37 |
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"cdr": 0.713279664516449,
|
| 38 |
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"framework": 0.38456493616104126,
|
| 39 |
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"cdr_fw_aligned": 0.8240807056427002,
|
| 40 |
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|
| 41 |
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"cdr2": 0.47829777002334595,
|
| 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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"num_gt_atoms": 456,
|
| 52 |
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"num_aligned_atoms": 456
|
| 53 |
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},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 428,
|
| 57 |
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"num_aligned_atoms": 428
|
| 58 |
+
}
|
| 59 |
+
}
|
1uac_H_L_Y_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
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|
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|
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|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "1uac_H_L_Y_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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"num_gt_atoms": 884,
|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 428
|
| 58 |
+
}
|
| 59 |
+
}
|
1uac_H_L_Y_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
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|
|
|
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|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "1uac_H_L_Y_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": true
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 428
|
| 58 |
+
}
|
| 59 |
+
}
|
1v7m_I_M_X_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
|
|
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|
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|
|
|
|
|
|
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|
|
|
|
|
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|
|
|
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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": "1v7m_I_M_X_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.4890257716178894,
|
| 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 |
+
"heavy_chain": {
|
| 20 |
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|
| 21 |
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| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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| 38 |
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| 39 |
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| 40 |
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|
| 41 |
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| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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| 46 |
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| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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|
| 59 |
+
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|
1vfb_B_A_C_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
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|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "1vfb_B_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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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": true
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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},
|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
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}
|
| 59 |
+
}
|
1yy9_D_C_A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
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|
|
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|
|
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|
|
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|
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|
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|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "1yy9_D_C_A_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
+
}
|
| 59 |
+
}
|
1yy9_D_C_A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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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": "1yy9_D_C_A_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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|
| 5 |
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|
| 6 |
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|
| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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| 25 |
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| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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| 37 |
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| 38 |
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|
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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 |
+
}
|
2ny0_D_C_A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
|
|
|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "2ny0_D_C_A_sample_0",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
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|
| 26 |
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|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 4.684810638427734,
|
| 29 |
+
"cdr2_fw_aligned": 4.224281311035156,
|
| 30 |
+
"cdr3_fw_aligned": 6.080888271331787,
|
| 31 |
+
"num_residues": 222,
|
| 32 |
+
"num_cdr_residues": 32
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "C",
|
| 36 |
+
"total": 2.2375259399414062,
|
| 37 |
+
"cdr": 1.2916847467422485,
|
| 38 |
+
"framework": 2.011965751647949,
|
| 39 |
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"cdr_fw_aligned": 3.9928085803985596,
|
| 40 |
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"cdr1": 0.21525739133358002,
|
| 41 |
+
"cdr2": 0.24913987517356873,
|
| 42 |
+
"cdr3": 1.7366663217544556,
|
| 43 |
+
"cdr1_fw_aligned": 3.795159339904785,
|
| 44 |
+
"cdr2_fw_aligned": 3.0862457752227783,
|
| 45 |
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"cdr3_fw_aligned": 4.643898963928223,
|
| 46 |
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"num_residues": 214,
|
| 47 |
+
"num_cdr_residues": 29
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 916,
|
| 51 |
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"num_gt_atoms": 888,
|
| 52 |
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"num_aligned_atoms": 888
|
| 53 |
+
},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 856,
|
| 56 |
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"num_gt_atoms": 856,
|
| 57 |
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"num_aligned_atoms": 856
|
| 58 |
+
}
|
| 59 |
+
}
|
2p48_B__A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "2p48_B__A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 3.074223279953003,
|
| 7 |
+
"cdr": 4.948049068450928,
|
| 8 |
+
"framework": 1.4752613306045532,
|
| 9 |
+
"cdr_fw_aligned": 6.272644996643066
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 492,
|
| 12 |
+
"num_gt_atoms": 484,
|
| 13 |
+
"num_aligned_atoms": 484,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.983739837398374,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
+
"total": 3.074223279953003,
|
| 22 |
+
"cdr": 4.948049068450928,
|
| 23 |
+
"framework": 1.4752613306045532,
|
| 24 |
+
"cdr_fw_aligned": 6.272644996643066,
|
| 25 |
+
"cdr1": 2.738086700439453,
|
| 26 |
+
"cdr2": 1.0119267702102661,
|
| 27 |
+
"cdr3": 3.1926348209381104,
|
| 28 |
+
"cdr1_fw_aligned": 4.907877445220947,
|
| 29 |
+
"cdr2_fw_aligned": 2.9525225162506104,
|
| 30 |
+
"cdr3_fw_aligned": 7.972536563873291,
|
| 31 |
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"num_residues": 121,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 492,
|
| 36 |
+
"num_gt_atoms": 484,
|
| 37 |
+
"num_aligned_atoms": 484
|
| 38 |
+
}
|
| 39 |
+
}
|
2vc2_H_L_A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
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|
|
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|
|
|
|
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|
|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "2vc2_H_L_A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 2.7227118015289307,
|
| 7 |
+
"cdr": 1.6272364854812622,
|
| 8 |
+
"framework": 2.5311214923858643,
|
| 9 |
+
"cdr_fw_aligned": 4.417038917541504
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1740,
|
| 12 |
+
"num_gt_atoms": 1732,
|
| 13 |
+
"num_aligned_atoms": 1732,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9954022988505747,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 2.9571774005889893,
|
| 22 |
+
"cdr": 2.377859115600586,
|
| 23 |
+
"framework": 2.774967670440674,
|
| 24 |
+
"cdr_fw_aligned": 4.550942897796631,
|
| 25 |
+
"cdr1": 0.5259593725204468,
|
| 26 |
+
"cdr2": 0.339844673871994,
|
| 27 |
+
"cdr3": 2.3865346908569336,
|
| 28 |
+
"cdr1_fw_aligned": 4.450690746307373,
|
| 29 |
+
"cdr2_fw_aligned": 4.093944549560547,
|
| 30 |
+
"cdr3_fw_aligned": 4.869617462158203,
|
| 31 |
+
"num_residues": 219,
|
| 32 |
+
"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 2.488246202468872,
|
| 37 |
+
"cdr": 0.8766138553619385,
|
| 38 |
+
"framework": 2.2872753143310547,
|
| 39 |
+
"cdr_fw_aligned": 4.283134937286377,
|
| 40 |
+
"cdr1": 0.2600543797016144,
|
| 41 |
+
"cdr2": 0.19154192507266998,
|
| 42 |
+
"cdr3": 1.001771092414856,
|
| 43 |
+
"cdr1_fw_aligned": 4.265953540802002,
|
| 44 |
+
"cdr2_fw_aligned": 3.5122969150543213,
|
| 45 |
+
"cdr3_fw_aligned": 4.816463470458984,
|
| 46 |
+
"num_residues": 214,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 884,
|
| 51 |
+
"num_gt_atoms": 876,
|
| 52 |
+
"num_aligned_atoms": 876
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 856,
|
| 56 |
+
"num_gt_atoms": 856,
|
| 57 |
+
"num_aligned_atoms": 856
|
| 58 |
+
}
|
| 59 |
+
}
|
2wub_R_Q_C_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
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|
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|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "2wub_R_Q_C_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 3.243377923965454,
|
| 7 |
+
"cdr": 0.7599210739135742,
|
| 8 |
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"framework": 3.053346872329712,
|
| 9 |
+
"cdr_fw_aligned": 5.07128381729126
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1752,
|
| 12 |
+
"num_gt_atoms": 1677,
|
| 13 |
+
"num_aligned_atoms": 1677,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9571917808219178,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "R",
|
| 21 |
+
"total": 3.1021804809570312,
|
| 22 |
+
"cdr": 1.082493543624878,
|
| 23 |
+
"framework": 2.9224839210510254,
|
| 24 |
+
"cdr_fw_aligned": 4.898881912231445,
|
| 25 |
+
"cdr1": 0.5840966105461121,
|
| 26 |
+
"cdr2": 0.46924924850463867,
|
| 27 |
+
"cdr3": 1.248956561088562,
|
| 28 |
+
"cdr1_fw_aligned": 5.575834274291992,
|
| 29 |
+
"cdr2_fw_aligned": 4.680796146392822,
|
| 30 |
+
"cdr3_fw_aligned": 4.400168418884277,
|
| 31 |
+
"num_residues": 206,
|
| 32 |
+
"num_cdr_residues": 21
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "Q",
|
| 36 |
+
"total": 3.384575366973877,
|
| 37 |
+
"cdr": 0.4373486042022705,
|
| 38 |
+
"framework": 3.1842098236083984,
|
| 39 |
+
"cdr_fw_aligned": 5.243685722351074,
|
| 40 |
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"cdr1": 0.27222761511802673,
|
| 41 |
+
"cdr2": 0.21957820653915405,
|
| 42 |
+
"cdr3": 0.36638593673706055,
|
| 43 |
+
"cdr1_fw_aligned": 6.274074554443359,
|
| 44 |
+
"cdr2_fw_aligned": 5.141205310821533,
|
| 45 |
+
"cdr3_fw_aligned": 3.717411518096924,
|
| 46 |
+
"num_residues": 214,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 896,
|
| 51 |
+
"num_gt_atoms": 821,
|
| 52 |
+
"num_aligned_atoms": 821
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 856,
|
| 56 |
+
"num_gt_atoms": 856,
|
| 57 |
+
"num_aligned_atoms": 856
|
| 58 |
+
}
|
| 59 |
+
}
|
3d9a_H_L_C_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "3d9a_H_L_C_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 2.0690754652023315,
|
| 7 |
+
"cdr": 1.2545303702354431,
|
| 8 |
+
"framework": 1.8516706824302673,
|
| 9 |
+
"cdr_fw_aligned": 3.775914788246155
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1692,
|
| 12 |
+
"num_gt_atoms": 1692,
|
| 13 |
+
"num_aligned_atoms": 1692,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 1.0,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 2.124490261077881,
|
| 22 |
+
"cdr": 0.8614416122436523,
|
| 23 |
+
"framework": 1.9908947944641113,
|
| 24 |
+
"cdr_fw_aligned": 3.4781816005706787,
|
| 25 |
+
"cdr1": 1.0299655199050903,
|
| 26 |
+
"cdr2": 0.16871829330921173,
|
| 27 |
+
"cdr3": 0.3609113395214081,
|
| 28 |
+
"cdr1_fw_aligned": 3.8776626586914062,
|
| 29 |
+
"cdr2_fw_aligned": 3.8110511302948,
|
| 30 |
+
"cdr3_fw_aligned": 2.3574423789978027,
|
| 31 |
+
"num_residues": 210,
|
| 32 |
+
"num_cdr_residues": 17
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 2.0136606693267822,
|
| 37 |
+
"cdr": 1.6476191282272339,
|
| 38 |
+
"framework": 1.7124465703964233,
|
| 39 |
+
"cdr_fw_aligned": 4.073647975921631,
|
| 40 |
+
"cdr1": 0.2564455270767212,
|
| 41 |
+
"cdr2": 0.4666081964969635,
|
| 42 |
+
"cdr3": 1.7104932069778442,
|
| 43 |
+
"cdr1_fw_aligned": 3.2909798622131348,
|
| 44 |
+
"cdr2_fw_aligned": 3.1580007076263428,
|
| 45 |
+
"cdr3_fw_aligned": 5.365618705749512,
|
| 46 |
+
"num_residues": 213,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 840,
|
| 51 |
+
"num_gt_atoms": 840,
|
| 52 |
+
"num_aligned_atoms": 840
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 852,
|
| 56 |
+
"num_gt_atoms": 852,
|
| 57 |
+
"num_aligned_atoms": 852
|
| 58 |
+
}
|
| 59 |
+
}
|
3hfm_H_L_Y_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "3hfm_H_L_Y_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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"framework": 1.2865034341812134,
|
| 9 |
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|
| 10 |
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|
| 11 |
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"num_pred_atoms": 1716,
|
| 12 |
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"num_gt_atoms": 1716,
|
| 13 |
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"num_aligned_atoms": 1716,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 1.0,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
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"total": 1.6082251071929932,
|
| 22 |
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"cdr": 1.4622379541397095,
|
| 23 |
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"framework": 1.5550554990768433,
|
| 24 |
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"cdr_fw_aligned": 2.1991403102874756,
|
| 25 |
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"cdr1": 1.48159921169281,
|
| 26 |
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"cdr2": 0.9870319366455078,
|
| 27 |
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"cdr3": 0.7878360748291016,
|
| 28 |
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"cdr1_fw_aligned": 1.880022406578064,
|
| 29 |
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"cdr2_fw_aligned": 3.132669687271118,
|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 17
|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
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"total": 1.2963355779647827,
|
| 37 |
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|
| 38 |
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"framework": 1.0179513692855835,
|
| 39 |
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"cdr_fw_aligned": 2.699211359024048,
|
| 40 |
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"cdr1": 0.932818591594696,
|
| 41 |
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"cdr2": 0.6906254291534424,
|
| 42 |
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"cdr3": 1.8348733186721802,
|
| 43 |
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"cdr1_fw_aligned": 1.4906377792358398,
|
| 44 |
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"cdr2_fw_aligned": 1.7303168773651123,
|
| 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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"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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|
| 57 |
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"num_aligned_atoms": 856
|
| 58 |
+
}
|
| 59 |
+
}
|
3hfm_H_L_Y_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "3hfm_H_L_Y_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.5453835129737854,
|
| 7 |
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"cdr": 1.7324159741401672,
|
| 8 |
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"framework": 1.4146052598953247,
|
| 9 |
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|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 1716,
|
| 12 |
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"num_gt_atoms": 1716,
|
| 13 |
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"num_aligned_atoms": 1716,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 1.0,
|
| 16 |
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|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
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"total": 1.6066771745681763,
|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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"cdr2": 1.0246386528015137,
|
| 27 |
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"cdr3": 0.817136287689209,
|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 3.9066340923309326,
|
| 30 |
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"cdr3_fw_aligned": 1.377725601196289,
|
| 31 |
+
"num_residues": 215,
|
| 32 |
+
"num_cdr_residues": 17
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
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"total": 1.4840898513793945,
|
| 37 |
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|
| 38 |
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"framework": 1.326877474784851,
|
| 39 |
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"cdr_fw_aligned": 2.527312994003296,
|
| 40 |
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"cdr1": 0.9767564535140991,
|
| 41 |
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"cdr2": 0.7068446278572083,
|
| 42 |
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"cdr3": 1.3479628562927246,
|
| 43 |
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|
| 44 |
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"cdr2_fw_aligned": 2.1721959114074707,
|
| 45 |
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|
| 46 |
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|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 856,
|
| 57 |
+
"num_aligned_atoms": 856
|
| 58 |
+
}
|
| 59 |
+
}
|
3ldb_C_B_A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "3ldb_C_B_A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
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"total": 1.6100003123283386,
|
| 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": 0.9682539682539683,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
+
"total": 0.8698731660842896,
|
| 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": 0.9757201671600342,
|
| 29 |
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|
| 30 |
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|
| 31 |
+
"num_residues": 210,
|
| 32 |
+
"num_cdr_residues": 22
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "B",
|
| 36 |
+
"total": 2.3501274585723877,
|
| 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": 0.8739312291145325,
|
| 43 |
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"cdr1_fw_aligned": 7.635928630828857,
|
| 44 |
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"cdr2_fw_aligned": 0.9601471424102783,
|
| 45 |
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"cdr3_fw_aligned": 2.931436061859131,
|
| 46 |
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"num_residues": 217,
|
| 47 |
+
"num_cdr_residues": 33
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 884,
|
| 51 |
+
"num_gt_atoms": 840,
|
| 52 |
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"num_aligned_atoms": 840
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
+
"num_gt_atoms": 868,
|
| 57 |
+
"num_aligned_atoms": 868
|
| 58 |
+
}
|
| 59 |
+
}
|
3nif_E_F_C_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "3nif_E_F_C_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.6434836983680725,
|
| 7 |
+
"cdr": 1.7078037858009338,
|
| 8 |
+
"framework": 1.4841903448104858,
|
| 9 |
+
"cdr_fw_aligned": 2.7527756690979004
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1740,
|
| 12 |
+
"num_gt_atoms": 1720,
|
| 13 |
+
"num_aligned_atoms": 1720,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9885057471264368,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "E",
|
| 21 |
+
"total": 2.0193750858306885,
|
| 22 |
+
"cdr": 2.3247013092041016,
|
| 23 |
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"framework": 1.7284793853759766,
|
| 24 |
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"cdr_fw_aligned": 3.9724512100219727,
|
| 25 |
+
"cdr1": 0.6320732235908508,
|
| 26 |
+
"cdr2": 0.2688508629798889,
|
| 27 |
+
"cdr3": 2.43607497215271,
|
| 28 |
+
"cdr1_fw_aligned": 3.80806303024292,
|
| 29 |
+
"cdr2_fw_aligned": 3.3458337783813477,
|
| 30 |
+
"cdr3_fw_aligned": 4.4076056480407715,
|
| 31 |
+
"num_residues": 216,
|
| 32 |
+
"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "F",
|
| 36 |
+
"total": 1.2675923109054565,
|
| 37 |
+
"cdr": 1.0909062623977661,
|
| 38 |
+
"framework": 1.2399013042449951,
|
| 39 |
+
"cdr_fw_aligned": 1.5331001281738281,
|
| 40 |
+
"cdr1": 0.5427681803703308,
|
| 41 |
+
"cdr2": 0.1838971972465515,
|
| 42 |
+
"cdr3": 1.5563536882400513,
|
| 43 |
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"cdr1_fw_aligned": 1.315676212310791,
|
| 44 |
+
"cdr2_fw_aligned": 1.043168544769287,
|
| 45 |
+
"cdr3_fw_aligned": 2.0221738815307617,
|
| 46 |
+
"num_residues": 214,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 884,
|
| 51 |
+
"num_gt_atoms": 864,
|
| 52 |
+
"num_aligned_atoms": 864
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 856,
|
| 56 |
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"num_gt_atoms": 856,
|
| 57 |
+
"num_aligned_atoms": 856
|
| 58 |
+
}
|
| 59 |
+
}
|
3opz_I_M_B_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "3opz_I_M_B_sample_2",
|
| 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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"framework": 2.524810791015625,
|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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"num_gt_atoms": 1728,
|
| 13 |
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"num_aligned_atoms": 1728,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.993103448275862,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "I",
|
| 21 |
+
"total": 3.635808229446411,
|
| 22 |
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"cdr": 2.322047233581543,
|
| 23 |
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"framework": 3.4359138011932373,
|
| 24 |
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|
| 25 |
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"cdr1": 2.4123666286468506,
|
| 26 |
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|
| 27 |
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"cdr3": 1.294500470161438,
|
| 28 |
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"cdr1_fw_aligned": 6.598381996154785,
|
| 29 |
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"cdr2_fw_aligned": 4.950191020965576,
|
| 30 |
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|
| 31 |
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|
| 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": "M",
|
| 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": 1.0528535842895508,
|
| 43 |
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"cdr1_fw_aligned": 3.648714303970337,
|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 880
|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 848
|
| 58 |
+
}
|
| 59 |
+
}
|
3p0g_B__A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "3p0g_B__A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.0822641849517822,
|
| 7 |
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"cdr": 3.5202200412750244,
|
| 8 |
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"framework": 1.0739526748657227,
|
| 9 |
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"cdr_fw_aligned": 4.502203941345215
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 504,
|
| 12 |
+
"num_gt_atoms": 484,
|
| 13 |
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"num_aligned_atoms": 484,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
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"total": 2.0822641849517822,
|
| 22 |
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"cdr": 3.5202200412750244,
|
| 23 |
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"framework": 1.0739526748657227,
|
| 24 |
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"cdr_fw_aligned": 4.502203941345215,
|
| 25 |
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"cdr1": 2.027872323989868,
|
| 26 |
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"cdr2": 0.7596173882484436,
|
| 27 |
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|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 1.6939367055892944,
|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 504,
|
| 36 |
+
"num_gt_atoms": 484,
|
| 37 |
+
"num_aligned_atoms": 484
|
| 38 |
+
}
|
| 39 |
+
}
|
3qa3_B_A_E_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
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|
|
|
|
|
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|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "3qa3_B_A_E_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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"num_gt_atoms": 1776,
|
| 13 |
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"num_aligned_atoms": 1776,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 1.0,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"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": 0.4401616156101227,
|
| 26 |
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"cdr2": 0.18748047947883606,
|
| 27 |
+
"cdr3": 2.6876070499420166,
|
| 28 |
+
"cdr1_fw_aligned": 8.649686813354492,
|
| 29 |
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"cdr2_fw_aligned": 8.193534851074219,
|
| 30 |
+
"cdr3_fw_aligned": 7.503459453582764,
|
| 31 |
+
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|
| 32 |
+
"num_cdr_residues": 26
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "A",
|
| 36 |
+
"total": 4.012074947357178,
|
| 37 |
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|
| 38 |
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"framework": 3.733635663986206,
|
| 39 |
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"cdr_fw_aligned": 6.139925003051758,
|
| 40 |
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|
| 41 |
+
"cdr2": 0.1922764778137207,
|
| 42 |
+
"cdr3": 0.3967408239841461,
|
| 43 |
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"cdr1_fw_aligned": 6.266836643218994,
|
| 44 |
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"cdr2_fw_aligned": 5.578749179840088,
|
| 45 |
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"cdr3_fw_aligned": 6.3118414878845215,
|
| 46 |
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|
| 47 |
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"num_cdr_residues": 33
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 896
|
| 53 |
+
},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 880
|
| 58 |
+
}
|
| 59 |
+
}
|
3rvw_D_C_A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
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|
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|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "3rvw_D_C_A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.1690729260444641,
|
| 7 |
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"cdr": 1.9131238460540771,
|
| 8 |
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"framework": 0.8403763175010681,
|
| 9 |
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"cdr_fw_aligned": 2.67104834318161
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1868,
|
| 12 |
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"num_gt_atoms": 1716,
|
| 13 |
+
"num_aligned_atoms": 1716,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9186295503211992,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "D",
|
| 21 |
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"total": 1.5002429485321045,
|
| 22 |
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"cdr": 2.529301881790161,
|
| 23 |
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"framework": 1.0897895097732544,
|
| 24 |
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"cdr_fw_aligned": 3.395855665206909,
|
| 25 |
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"cdr1": 1.1600497961044312,
|
| 26 |
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"cdr2": 0.2160818725824356,
|
| 27 |
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"cdr3": 2.82147479057312,
|
| 28 |
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"cdr1_fw_aligned": 2.2736668586730957,
|
| 29 |
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"cdr2_fw_aligned": 0.8184710144996643,
|
| 30 |
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|
| 31 |
+
"num_residues": 218,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "C",
|
| 36 |
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"total": 0.8379029035568237,
|
| 37 |
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"cdr": 1.2969458103179932,
|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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"cdr3": 1.4059995412826538,
|
| 43 |
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"cdr1_fw_aligned": 0.8662002682685852,
|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
+
},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 844,
|
| 57 |
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"num_aligned_atoms": 844
|
| 58 |
+
}
|
| 59 |
+
}
|
3ux9_B_b_A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "3ux9_B_b_A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.3886406421661377,
|
| 7 |
+
"cdr": 2.000274896621704,
|
| 8 |
+
"framework": 1.1024818420410156,
|
| 9 |
+
"cdr_fw_aligned": 2.3028939366340637
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 2048,
|
| 12 |
+
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|
| 13 |
+
"num_aligned_atoms": 1832,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.89453125,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
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"total": 1.3886406421661377,
|
| 22 |
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"cdr": 1.175450325012207,
|
| 23 |
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"framework": 1.3899285793304443,
|
| 24 |
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"cdr_fw_aligned": 1.4016987085342407,
|
| 25 |
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"cdr1": 0.37838664650917053,
|
| 26 |
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|
| 27 |
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"cdr3": 1.4253288507461548,
|
| 28 |
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"cdr1_fw_aligned": 0.6949921250343323,
|
| 29 |
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"cdr2_fw_aligned": 0.6970449090003967,
|
| 30 |
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"cdr3_fw_aligned": 1.9721348285675049,
|
| 31 |
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"num_residues": 229,
|
| 32 |
+
"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "B",
|
| 36 |
+
"total": 1.3886406421661377,
|
| 37 |
+
"cdr": 2.825099468231201,
|
| 38 |
+
"framework": 0.8150351047515869,
|
| 39 |
+
"cdr_fw_aligned": 3.2040891647338867,
|
| 40 |
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"cdr1": 2.101602554321289,
|
| 41 |
+
"cdr2": 0.6050023436546326,
|
| 42 |
+
"cdr3": 2.1097073554992676,
|
| 43 |
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"cdr1_fw_aligned": 3.046527147293091,
|
| 44 |
+
"cdr2_fw_aligned": 1.4129654169082642,
|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
+
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|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 1024,
|
| 51 |
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"num_gt_atoms": 916,
|
| 52 |
+
"num_aligned_atoms": 916
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 1024,
|
| 56 |
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"num_gt_atoms": 916,
|
| 57 |
+
"num_aligned_atoms": 916
|
| 58 |
+
}
|
| 59 |
+
}
|
3wfd_H_L_BC_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "3wfd_H_L_BC_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 |
+
"framework": 1.1967519521713257,
|
| 9 |
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"cdr_fw_aligned": 2.956362009048462
|
| 10 |
+
},
|
| 11 |
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|
| 12 |
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"num_gt_atoms": 1752,
|
| 13 |
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"num_aligned_atoms": 1752,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 1.0,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.6625205278396606,
|
| 22 |
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"cdr": 2.5174143314361572,
|
| 23 |
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"framework": 1.171494722366333,
|
| 24 |
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|
| 25 |
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"cdr1": 0.6423869729042053,
|
| 26 |
+
"cdr2": 0.2916713356971741,
|
| 27 |
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"cdr3": 2.5092082023620605,
|
| 28 |
+
"cdr1_fw_aligned": 2.5211992263793945,
|
| 29 |
+
"cdr2_fw_aligned": 2.1050403118133545,
|
| 30 |
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|
| 31 |
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"num_residues": 225,
|
| 32 |
+
"num_cdr_residues": 28
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 1.3250718116760254,
|
| 37 |
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|
| 38 |
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"framework": 1.2220091819763184,
|
| 39 |
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"cdr_fw_aligned": 2.1350674629211426,
|
| 40 |
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|
| 41 |
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"cdr2": 0.25688987970352173,
|
| 42 |
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"cdr3": 0.3890647888183594,
|
| 43 |
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"cdr1_fw_aligned": 2.7117760181427,
|
| 44 |
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"cdr2_fw_aligned": 1.8811118602752686,
|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 900
|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 852
|
| 58 |
+
}
|
| 59 |
+
}
|
3wfd_H_L_BC_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "3wfd_H_L_BC_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 4.687247037887573,
|
| 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": 1752,
|
| 13 |
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"num_aligned_atoms": 1752,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 1.0,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
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"total": 5.4171881675720215,
|
| 22 |
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|
| 23 |
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"framework": 4.5061421394348145,
|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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"num_residues": 225,
|
| 32 |
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"num_cdr_residues": 28
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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"num_gt_atoms": 852,
|
| 57 |
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"num_aligned_atoms": 852
|
| 58 |
+
}
|
| 59 |
+
}
|
3zdy_H_L_AD_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "3zdy_H_L_AD_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 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": 856
|
| 58 |
+
}
|
| 59 |
+
}
|
3zdy_H_L_AD_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "3zdy_H_L_AD_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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"total": 4.176464915275574,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 7.926525592803955,
|
| 29 |
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"cdr2_fw_aligned": 7.412271022796631,
|
| 30 |
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"cdr3_fw_aligned": 5.8400797843933105,
|
| 31 |
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"num_residues": 216,
|
| 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": 3.633728265762329,
|
| 37 |
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|
| 38 |
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"framework": 3.2958827018737793,
|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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"cdr3": 1.5073333978652954,
|
| 43 |
+
"cdr1_fw_aligned": 6.542449951171875,
|
| 44 |
+
"cdr2_fw_aligned": 5.067984580993652,
|
| 45 |
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"cdr3_fw_aligned": 7.576014041900635,
|
| 46 |
+
"num_residues": 214,
|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 884,
|
| 51 |
+
"num_gt_atoms": 864,
|
| 52 |
+
"num_aligned_atoms": 864
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
+
"num_gt_atoms": 856,
|
| 57 |
+
"num_aligned_atoms": 856
|
| 58 |
+
}
|
| 59 |
+
}
|
4aei_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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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "4aei_H_L_A_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 3.348374128341675,
|
| 7 |
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"cdr": 2.5786653757095337,
|
| 8 |
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"framework": 2.7750725746154785,
|
| 9 |
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"cdr_fw_aligned": 6.551453590393066
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 1792,
|
| 12 |
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"num_gt_atoms": 1756,
|
| 13 |
+
"num_aligned_atoms": 1756,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9799107142857143,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
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"total": 3.5897443294525146,
|
| 22 |
+
"cdr": 1.9469432830810547,
|
| 23 |
+
"framework": 3.304713249206543,
|
| 24 |
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"cdr_fw_aligned": 6.04685115814209,
|
| 25 |
+
"cdr1": 0.5097438097000122,
|
| 26 |
+
"cdr2": 0.20148666203022003,
|
| 27 |
+
"cdr3": 1.739076852798462,
|
| 28 |
+
"cdr1_fw_aligned": 6.290865898132324,
|
| 29 |
+
"cdr2_fw_aligned": 5.735354423522949,
|
| 30 |
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"cdr3_fw_aligned": 6.053968906402588,
|
| 31 |
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"num_residues": 221,
|
| 32 |
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"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 3.107003927230835,
|
| 37 |
+
"cdr": 3.2103874683380127,
|
| 38 |
+
"framework": 2.245431900024414,
|
| 39 |
+
"cdr_fw_aligned": 7.056056022644043,
|
| 40 |
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"cdr1": 3.8025074005126953,
|
| 41 |
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"cdr2": 0.2603616416454315,
|
| 42 |
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"cdr3": 1.701167345046997,
|
| 43 |
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"cdr1_fw_aligned": 9.19491195678711,
|
| 44 |
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"cdr2_fw_aligned": 3.5937414169311523,
|
| 45 |
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"cdr3_fw_aligned": 4.0833539962768555,
|
| 46 |
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"num_residues": 218,
|
| 47 |
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"num_cdr_residues": 32
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 884
|
| 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": 872,
|
| 57 |
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"num_aligned_atoms": 872
|
| 58 |
+
}
|
| 59 |
+
}
|
4cmh_B_C_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "4cmh_B_C_A_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 3.7980613708496094,
|
| 7 |
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"cdr": 1.2087583541870117,
|
| 8 |
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"framework": 3.5170570611953735,
|
| 9 |
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|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 1792,
|
| 12 |
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"num_gt_atoms": 1716,
|
| 13 |
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"num_aligned_atoms": 1716,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9575892857142857,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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"total": 3.824540853500366,
|
| 22 |
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"cdr": 1.303915023803711,
|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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"cdr2": 0.35295334458351135,
|
| 27 |
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|
| 28 |
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"cdr1_fw_aligned": 7.491868019104004,
|
| 29 |
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"cdr2_fw_aligned": 6.400731563568115,
|
| 30 |
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|
| 31 |
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"num_residues": 216,
|
| 32 |
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"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "C",
|
| 36 |
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"total": 3.7715818881988525,
|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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"cdr1_fw_aligned": 6.984402179718018,
|
| 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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"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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|
| 57 |
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"num_aligned_atoms": 852
|
| 58 |
+
}
|
| 59 |
+
}
|
4cmh_B_C_A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
|
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|
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|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "4cmh_B_C_A_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 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": "C",
|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
+
}
|
| 59 |
+
}
|
4ffz_Z_Y_X_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "4ffz_Z_Y_X_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 0.8667583465576172,
|
| 7 |
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"cdr": 1.169997751712799,
|
| 8 |
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"framework": 0.7021065205335617,
|
| 9 |
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"cdr_fw_aligned": 1.6542458534240723
|
| 10 |
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},
|
| 11 |
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|
| 12 |
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"num_gt_atoms": 1732,
|
| 13 |
+
"num_aligned_atoms": 1732,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 1.0,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "Z",
|
| 21 |
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"total": 1.0145214796066284,
|
| 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": 1.0621782541275024,
|
| 29 |
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"cdr2_fw_aligned": 0.8527385592460632,
|
| 30 |
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"cdr3_fw_aligned": 2.4149856567382812,
|
| 31 |
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"num_residues": 217,
|
| 32 |
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"num_cdr_residues": 22
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
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"chain_id": "Y",
|
| 36 |
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"total": 0.718995213508606,
|
| 37 |
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"cdr": 1.1149624586105347,
|
| 38 |
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"framework": 0.47822853922843933,
|
| 39 |
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"cdr_fw_aligned": 1.5929226875305176,
|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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"cdr1_fw_aligned": 1.6266945600509644,
|
| 44 |
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"cdr2_fw_aligned": 0.6462720632553101,
|
| 45 |
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"cdr3_fw_aligned": 2.001216173171997,
|
| 46 |
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|
| 47 |
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"num_cdr_residues": 31
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 868,
|
| 51 |
+
"num_gt_atoms": 868,
|
| 52 |
+
"num_aligned_atoms": 868
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 864,
|
| 56 |
+
"num_gt_atoms": 864,
|
| 57 |
+
"num_aligned_atoms": 864
|
| 58 |
+
}
|
| 59 |
+
}
|
4jlr_H_L_S_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 |
+
"entry": "4jlr_H_L_S_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.1212744414806366,
|
| 7 |
+
"cdr": 2.1112875938415527,
|
| 8 |
+
"framework": 0.6898982226848602,
|
| 9 |
+
"cdr_fw_aligned": 2.6962021589279175
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1752,
|
| 12 |
+
"num_gt_atoms": 1700,
|
| 13 |
+
"num_aligned_atoms": 1700,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9703196347031964,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.5171247720718384,
|
| 22 |
+
"cdr": 3.0850296020507812,
|
| 23 |
+
"framework": 0.7466661930084229,
|
| 24 |
+
"cdr_fw_aligned": 4.1916351318359375,
|
| 25 |
+
"cdr1": 3.3494045734405518,
|
| 26 |
+
"cdr2": 0.12552408874034882,
|
| 27 |
+
"cdr3": 2.2378783226013184,
|
| 28 |
+
"cdr1_fw_aligned": 5.810482025146484,
|
| 29 |
+
"cdr2_fw_aligned": 1.2916417121887207,
|
| 30 |
+
"cdr3_fw_aligned": 3.3087456226348877,
|
| 31 |
+
"num_residues": 215,
|
| 32 |
+
"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 0.7254241108894348,
|
| 37 |
+
"cdr": 1.1375455856323242,
|
| 38 |
+
"framework": 0.6331302523612976,
|
| 39 |
+
"cdr_fw_aligned": 1.2007691860198975,
|
| 40 |
+
"cdr1": 0.3336869180202484,
|
| 41 |
+
"cdr2": 0.2285105288028717,
|
| 42 |
+
"cdr3": 1.5073387622833252,
|
| 43 |
+
"cdr1_fw_aligned": 0.5478428602218628,
|
| 44 |
+
"cdr2_fw_aligned": 0.8139470219612122,
|
| 45 |
+
"cdr3_fw_aligned": 1.8211480379104614,
|
| 46 |
+
"num_residues": 210,
|
| 47 |
+
"num_cdr_residues": 26
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 900,
|
| 51 |
+
"num_gt_atoms": 860,
|
| 52 |
+
"num_aligned_atoms": 860
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 852,
|
| 56 |
+
"num_gt_atoms": 840,
|
| 57 |
+
"num_aligned_atoms": 840
|
| 58 |
+
}
|
| 59 |
+
}
|
4jm2_A_B_E_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "4jm2_A_B_E_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.9347283244132996,
|
| 7 |
+
"cdr": 2.1349721550941467,
|
| 8 |
+
"framework": 1.576667845249176,
|
| 9 |
+
"cdr_fw_aligned": 3.4855549931526184
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1800,
|
| 12 |
+
"num_gt_atoms": 1764,
|
| 13 |
+
"num_aligned_atoms": 1764,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.98,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "A",
|
| 21 |
+
"total": 2.468024492263794,
|
| 22 |
+
"cdr": 3.2563681602478027,
|
| 23 |
+
"framework": 1.8031952381134033,
|
| 24 |
+
"cdr_fw_aligned": 5.0441365242004395,
|
| 25 |
+
"cdr1": 2.930319309234619,
|
| 26 |
+
"cdr2": 0.38993534445762634,
|
| 27 |
+
"cdr3": 2.054302215576172,
|
| 28 |
+
"cdr1_fw_aligned": 5.2021918296813965,
|
| 29 |
+
"cdr2_fw_aligned": 2.700052261352539,
|
| 30 |
+
"cdr3_fw_aligned": 5.378556728363037,
|
| 31 |
+
"num_residues": 227,
|
| 32 |
+
"num_cdr_residues": 38
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "B",
|
| 36 |
+
"total": 1.4014321565628052,
|
| 37 |
+
"cdr": 1.0135761499404907,
|
| 38 |
+
"framework": 1.3501404523849487,
|
| 39 |
+
"cdr_fw_aligned": 1.9269734621047974,
|
| 40 |
+
"cdr1": 0.2704949676990509,
|
| 41 |
+
"cdr2": 0.5186256766319275,
|
| 42 |
+
"cdr3": 0.9264328479766846,
|
| 43 |
+
"cdr1_fw_aligned": 2.167790412902832,
|
| 44 |
+
"cdr2_fw_aligned": 1.8010209798812866,
|
| 45 |
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"cdr3_fw_aligned": 1.6950372457504272,
|
| 46 |
+
"num_residues": 214,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 944,
|
| 51 |
+
"num_gt_atoms": 908,
|
| 52 |
+
"num_aligned_atoms": 908
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 856,
|
| 56 |
+
"num_gt_atoms": 856,
|
| 57 |
+
"num_aligned_atoms": 856
|
| 58 |
+
}
|
| 59 |
+
}
|
4jm2_A_B_E_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
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|
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|
|
|
|
|
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|
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|
|
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|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "4jm2_A_B_E_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
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"total": 1.6624087691307068,
|
| 7 |
+
"cdr": 3.0607192516326904,
|
| 8 |
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|
| 9 |
+
"cdr_fw_aligned": 3.6666433215141296
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1800,
|
| 12 |
+
"num_gt_atoms": 1764,
|
| 13 |
+
"num_aligned_atoms": 1764,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.98,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "A",
|
| 21 |
+
"total": 2.3655598163604736,
|
| 22 |
+
"cdr": 4.98319149017334,
|
| 23 |
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"framework": 0.9268707633018494,
|
| 24 |
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|
| 25 |
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"cdr1": 3.645380973815918,
|
| 26 |
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"cdr2": 0.3746488392353058,
|
| 27 |
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"cdr3": 2.8917236328125,
|
| 28 |
+
"cdr1_fw_aligned": 7.132882595062256,
|
| 29 |
+
"cdr2_fw_aligned": 1.1408740282058716,
|
| 30 |
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"cdr3_fw_aligned": 5.2527570724487305,
|
| 31 |
+
"num_residues": 227,
|
| 32 |
+
"num_cdr_residues": 38
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "B",
|
| 36 |
+
"total": 0.9592577219009399,
|
| 37 |
+
"cdr": 1.138247013092041,
|
| 38 |
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"framework": 0.8488695025444031,
|
| 39 |
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"cdr_fw_aligned": 1.6677130460739136,
|
| 40 |
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"cdr1": 0.2932056486606598,
|
| 41 |
+
"cdr2": 0.5228897929191589,
|
| 42 |
+
"cdr3": 1.0221940279006958,
|
| 43 |
+
"cdr1_fw_aligned": 1.1522384881973267,
|
| 44 |
+
"cdr2_fw_aligned": 0.6789875626564026,
|
| 45 |
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"cdr3_fw_aligned": 2.522402048110962,
|
| 46 |
+
"num_residues": 214,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 944,
|
| 51 |
+
"num_gt_atoms": 908,
|
| 52 |
+
"num_aligned_atoms": 908
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 856,
|
| 56 |
+
"num_gt_atoms": 856,
|
| 57 |
+
"num_aligned_atoms": 856
|
| 58 |
+
}
|
| 59 |
+
}
|
4kkl_C_D_A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "4kkl_C_D_A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 3.5825458765029907,
|
| 7 |
+
"cdr": 1.4939024448394775,
|
| 8 |
+
"framework": 3.2392172813415527,
|
| 9 |
+
"cdr_fw_aligned": 6.3160786628723145
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1732,
|
| 12 |
+
"num_gt_atoms": 1728,
|
| 13 |
+
"num_aligned_atoms": 1728,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9976905311778291,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
+
"total": 4.314393520355225,
|
| 22 |
+
"cdr": 1.2401398420333862,
|
| 23 |
+
"framework": 3.9386751651763916,
|
| 24 |
+
"cdr_fw_aligned": 7.297092437744141,
|
| 25 |
+
"cdr1": 1.1392107009887695,
|
| 26 |
+
"cdr2": 0.35088613629341125,
|
| 27 |
+
"cdr3": 1.2880868911743164,
|
| 28 |
+
"cdr1_fw_aligned": 8.826973915100098,
|
| 29 |
+
"cdr2_fw_aligned": 7.7526750564575195,
|
| 30 |
+
"cdr3_fw_aligned": 5.9522905349731445,
|
| 31 |
+
"num_residues": 221,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "D",
|
| 36 |
+
"total": 2.850698232650757,
|
| 37 |
+
"cdr": 1.7476650476455688,
|
| 38 |
+
"framework": 2.539759397506714,
|
| 39 |
+
"cdr_fw_aligned": 5.335064888000488,
|
| 40 |
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"cdr1": 0.910393238067627,
|
| 41 |
+
"cdr2": 0.3328346014022827,
|
| 42 |
+
"cdr3": 1.811357021331787,
|
| 43 |
+
"cdr1_fw_aligned": 4.953392505645752,
|
| 44 |
+
"cdr2_fw_aligned": 4.601838111877441,
|
| 45 |
+
"cdr3_fw_aligned": 6.2042741775512695,
|
| 46 |
+
"num_residues": 211,
|
| 47 |
+
"num_cdr_residues": 26
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 888,
|
| 51 |
+
"num_gt_atoms": 884,
|
| 52 |
+
"num_aligned_atoms": 884
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 844,
|
| 56 |
+
"num_gt_atoms": 844,
|
| 57 |
+
"num_aligned_atoms": 844
|
| 58 |
+
}
|
| 59 |
+
}
|
4krp_D_C_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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|
|
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|
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|
|
|
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|
|
|
|
|
|
|
|
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|
|
|
|
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|
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|
|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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|
| 3 |
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|
| 4 |
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|
| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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| 10 |
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| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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| 16 |
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|
| 17 |
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|
| 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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}
|
4krp_D_C_A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "4krp_D_C_A_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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|
| 6 |
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|
| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 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 |
+
}
|
4kv5_J_j_B_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "4kv5_J_j_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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"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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"num_cdr_residues": 28
|
| 48 |
+
},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
+
}
|
| 59 |
+
}
|
4kv5_J_j_B_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "4kv5_J_j_B_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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"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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"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 |
+
}
|
4msw_A_B_C_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "4msw_A_B_C_sample_2",
|
| 3 |
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|
| 4 |
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|
| 5 |
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|
| 6 |
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|
| 7 |
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| 8 |
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| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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"num_gt_atoms": 1724,
|
| 13 |
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"num_aligned_atoms": 1724,
|
| 14 |
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|
| 15 |
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"pred_coverage": 1.0,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": true
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "A",
|
| 21 |
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"total": 1.3715848922729492,
|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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"cdr3": 1.170423150062561,
|
| 28 |
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"cdr1_fw_aligned": 2.7407217025756836,
|
| 29 |
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"cdr2_fw_aligned": 1.6250638961791992,
|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 22
|
| 33 |
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},
|
| 34 |
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|
| 35 |
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"chain_id": "B",
|
| 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": 0.8335224986076355,
|
| 43 |
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|
| 44 |
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| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 848
|
| 58 |
+
}
|
| 59 |
+
}
|
4msw_A_B_C_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
|
|
|
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|
|
|
|
|
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|
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|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "4msw_A_B_C_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": true
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 22
|
| 33 |
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},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "B",
|
| 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 |
+
}
|
4nc2_B__A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "4nc2_B__A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.0505363941192627,
|
| 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 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
+
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|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
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|
| 22 |
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|
| 23 |
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"framework": 0.7556813359260559,
|
| 24 |
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"cdr_fw_aligned": 1.7995264530181885,
|
| 25 |
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"cdr1": 0.7283084988594055,
|
| 26 |
+
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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"num_aligned_atoms": 488
|
| 38 |
+
}
|
| 39 |
+
}
|
4om1_H_L_G_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
|
|
|
|
|
|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "4om1_H_L_G_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.7693443298339844,
|
| 7 |
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|
| 8 |
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"framework": 2.5651849508285522,
|
| 9 |
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"cdr_fw_aligned": 4.016611933708191
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 1752,
|
| 12 |
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"num_gt_atoms": 1752,
|
| 13 |
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"num_aligned_atoms": 1752,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 1.0,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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"total": 3.3395330905914307,
|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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"cdr2": 1.1248866319656372,
|
| 27 |
+
"cdr3": 3.5609071254730225,
|
| 28 |
+
"cdr1_fw_aligned": 4.047877311706543,
|
| 29 |
+
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|
| 30 |
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|
| 31 |
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"num_residues": 228,
|
| 32 |
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"num_cdr_residues": 29
|
| 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": 2.199155569076538,
|
| 37 |
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|
| 38 |
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"framework": 2.145829200744629,
|
| 39 |
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"cdr_fw_aligned": 2.722005605697632,
|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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},
|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 840
|
| 58 |
+
}
|
| 59 |
+
}
|
4pp1_D_C_B_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
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|
|
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|
|
|
|
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|
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|
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|
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|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "4pp1_D_C_B_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 3.3931870460510254,
|
| 7 |
+
"cdr": 1.358955979347229,
|
| 8 |
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"framework": 3.1690274477005005,
|
| 9 |
+
"cdr_fw_aligned": 5.530728578567505
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1880,
|
| 12 |
+
"num_gt_atoms": 1692,
|
| 13 |
+
"num_aligned_atoms": 1692,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "D",
|
| 21 |
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"total": 4.047715663909912,
|
| 22 |
+
"cdr": 1.6185153722763062,
|
| 23 |
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"framework": 3.7733492851257324,
|
| 24 |
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"cdr_fw_aligned": 6.575268745422363,
|
| 25 |
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"cdr1": 0.38970717787742615,
|
| 26 |
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"cdr2": 0.19523583352565765,
|
| 27 |
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"cdr3": 1.5755873918533325,
|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 5.623801231384277,
|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "C",
|
| 36 |
+
"total": 2.7386584281921387,
|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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"cdr1": 0.24531111121177673,
|
| 41 |
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"cdr2": 0.2986185550689697,
|
| 42 |
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"cdr3": 1.3992745876312256,
|
| 43 |
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|
| 44 |
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"cdr2_fw_aligned": 3.4340567588806152,
|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 840,
|
| 57 |
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"num_aligned_atoms": 840
|
| 58 |
+
}
|
| 59 |
+
}
|
4ps4_H_L_A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
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|
|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "4ps4_H_L_A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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"framework": 2.240775942802429,
|
| 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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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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|
| 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 |
+
"cdr1_fw_aligned": 3.9488556385040283,
|
| 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 |
+
"chain_id": "L",
|
| 36 |
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"total": 2.2385621070861816,
|
| 37 |
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|
| 38 |
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"framework": 2.1077394485473633,
|
| 39 |
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|
| 40 |
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|
| 41 |
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"cdr2": 0.27638304233551025,
|
| 42 |
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"cdr3": 1.38754141330719,
|
| 43 |
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"cdr1_fw_aligned": 3.952604293823242,
|
| 44 |
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"cdr2_fw_aligned": 2.7031877040863037,
|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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"num_gt_atoms": 852,
|
| 57 |
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"num_aligned_atoms": 852
|
| 58 |
+
}
|
| 59 |
+
}
|
4rfn_B_C_A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "4rfn_B_C_A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.2333744764328003,
|
| 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 |
+
"heavy_chain": {
|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
+
},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "C",
|
| 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": 840
|
| 58 |
+
}
|
| 59 |
+
}
|
4rgo_H_L_S_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
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|
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|
|
|
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|
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|
|
|
|
|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "4rgo_H_L_S_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": 0.8420692980289459,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 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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"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": 848
|
| 58 |
+
}
|
| 59 |
+
}
|
4rgo_H_L_S_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "4rgo_H_L_S_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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"num_aligned_atoms": 1700,
|
| 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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"cdr1_fw_aligned": 1.2174277305603027,
|
| 29 |
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|
| 30 |
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"cdr3_fw_aligned": 2.847978353500366,
|
| 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": 0.814085066318512,
|
| 37 |
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"cdr": 1.2843209505081177,
|
| 38 |
+
"framework": 0.6337190866470337,
|
| 39 |
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"cdr_fw_aligned": 1.6744277477264404,
|
| 40 |
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"cdr1": 0.29857146739959717,
|
| 41 |
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"cdr2": 0.43382811546325684,
|
| 42 |
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"cdr3": 1.348337173461914,
|
| 43 |
+
"cdr1_fw_aligned": 0.5953460931777954,
|
| 44 |
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"cdr2_fw_aligned": 1.261532187461853,
|
| 45 |
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"cdr3_fw_aligned": 2.5961766242980957,
|
| 46 |
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"num_residues": 212,
|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 888,
|
| 51 |
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"num_gt_atoms": 852,
|
| 52 |
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"num_aligned_atoms": 852
|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 856,
|
| 56 |
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"num_gt_atoms": 848,
|
| 57 |
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"num_aligned_atoms": 848
|
| 58 |
+
}
|
| 59 |
+
}
|