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- 1ar1_C_D_B_sample_3_rmsd_backbone.json +59 -0
- 1eo8_H_L_A_sample_3_rmsd_backbone.json +59 -0
- 1h0d_B_A_C_sample_4_rmsd_backbone.json +59 -0
- 1qfw_I_M_B_sample_3_rmsd_backbone.json +59 -0
- 1qle_H_L_B_sample_1_rmsd_backbone.json +59 -0
- 1ua6_H_L_Y_sample_2_rmsd_backbone.json +59 -0
- 1uac_H_L_Y_sample_0_rmsd_backbone.json +59 -0
- 1v7m_I_M_X_sample_2_rmsd_backbone.json +59 -0
- 1yy9_D_C_A_sample_2_rmsd_backbone.json +59 -0
- 2ny0_D_C_A_sample_4_rmsd_backbone.json +59 -0
- 2p48_B__A_sample_4_rmsd_backbone.json +39 -0
- 2wub_R_Q_C_sample_3_rmsd_backbone.json +59 -0
- 3nif_E_F_C_sample_3_rmsd_backbone.json +59 -0
- 3opz_I_M_B_sample_4_rmsd_backbone.json +59 -0
- 3rvw_D_C_A_sample_2_rmsd_backbone.json +59 -0
- 3wfd_H_L_BC_sample_0_rmsd_backbone.json +59 -0
- 3zdy_H_L_AD_sample_1_rmsd_backbone.json +59 -0
- 4aei_H_L_A_sample_4_rmsd_backbone.json +59 -0
- 4cmh_B_C_A_sample_0_rmsd_backbone.json +59 -0
- 4jm2_A_B_E_sample_0_rmsd_backbone.json +59 -0
- 4krp_D_C_A_sample_0_rmsd_backbone.json +59 -0
- 4nc2_B__A_sample_1_rmsd_backbone.json +39 -0
- 4nik_B_b_A_sample_0_rmsd_backbone.json +59 -0
- 4om1_H_L_G_sample_2_rmsd_backbone.json +59 -0
- 4rfn_B_C_A_sample_4_rmsd_backbone.json +59 -0
- 4rgo_H_L_S_sample_3_rmsd_backbone.json +59 -0
- 4u1g_E_F_D_sample_2_rmsd_backbone.json +59 -0
- 4xt1_C__A_sample_0_rmsd_backbone.json +39 -0
- 4y5y_D_E_F_sample_1_rmsd_backbone.json +59 -0
- 5bv7_C_B_A_sample_2_rmsd_backbone.json +59 -0
- 5cd5_C_D_A_sample_3_rmsd_backbone.json +59 -0
- 5cjo_H_L_A_sample_1_rmsd_backbone.json +59 -0
- 5fyl_D_E_B_sample_4_rmsd_backbone.json +59 -0
- 5i74_B_C_A_sample_1_rmsd_backbone.json +59 -0
- 5m15_C__A_sample_1_rmsd_backbone.json +39 -0
- 5m2j_D__A_sample_0_rmsd_backbone.json +39 -0
- 5njg_E_F_A_sample_1_rmsd_backbone.json +59 -0
- 5nqw_C__B_sample_0_rmsd_backbone.json +39 -0
- 5o6v_H_L_B_sample_2_rmsd_backbone.json +59 -0
- 5occ_H_L_A_sample_1_rmsd_backbone.json +59 -0
- 5omn_C__B_sample_3_rmsd_backbone.json +39 -0
- 5otj_H_L_C_sample_2_rmsd_backbone.json +59 -0
- 5uek_H_L_A_sample_0_rmsd_backbone.json +59 -0
- 6ad7_C_D_A_sample_1_rmsd_backbone.json +59 -0
- 6aod_B_A_C_sample_3_rmsd_backbone.json +59 -0
- 6b0n_D_E_G_sample_0_rmsd_backbone.json +59 -0
- 6de7_D_E_B_sample_1_rmsd_backbone.json +59 -0
- 6e0c_M_m_ABCD_sample_2_rmsd_backbone.json +59 -0
- 6h6y_H__D_sample_2_rmsd_backbone.json +39 -0
- 6huj_G__AE_sample_4_rmsd_backbone.json +39 -0
1ar1_C_D_B_sample_3_rmsd_backbone.json
ADDED
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{
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"entry": "1ar1_C_D_B_sample_3",
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"success": true,
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"error": null,
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"rmsd": {
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"total": 0.7078753709793091,
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"cdr": 1.1330655813217163,
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"framework": 0.4815485179424286,
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"cdr_fw_aligned": 1.2213844656944275
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"num_pred_atoms": 988,
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"num_gt_atoms": 904,
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"num_aligned_atoms": 904,
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"alignment_coverage": {
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"pred_coverage": 0.9149797570850202,
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"gt_coverage": 1.0,
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"full_coverage": false
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"heavy_chain": {
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"chain_id": "C",
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"total": 0.5726580619812012,
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"cdr": 1.0111817121505737,
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"framework": 0.3639989495277405,
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"cdr_fw_aligned": 1.1035666465759277,
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"cdr1": 0.43508046865463257,
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"cdr2": 0.25769302248954773,
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"cdr3": 1.2724448442459106,
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"cdr1_fw_aligned": 0.6137628555297852,
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"cdr2_fw_aligned": 0.6079749464988708,
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"cdr3_fw_aligned": 1.5612735748291016,
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"num_residues": 118,
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"num_cdr_residues": 22
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},
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"light_chain": {
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"chain_id": "D",
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"total": 0.843092679977417,
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"cdr": 1.2549494504928589,
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"framework": 0.5990980863571167,
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"cdr_fw_aligned": 1.3392022848129272,
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"cdr1": 0.42487832903862,
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"cdr2": 0.3055019676685333,
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"cdr3": 1.4875638484954834,
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"cdr1_fw_aligned": 0.5908409357070923,
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"cdr2_fw_aligned": 0.7344160079956055,
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"cdr3_fw_aligned": 2.064012289047241,
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"num_residues": 108,
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"num_cdr_residues": 28
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"heavy_chain_atom_counts": {
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"num_pred_atoms": 508,
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"num_gt_atoms": 472,
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"num_aligned_atoms": 472
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"light_chain_atom_counts": {
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"num_pred_atoms": 480,
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}
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}
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1eo8_H_L_A_sample_3_rmsd_backbone.json
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{
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"entry": "1eo8_H_L_A_sample_3",
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"success": true,
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"error": null,
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"rmsd": {
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"total": 1.4365940690040588,
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"cdr": 1.5613144040107727,
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"framework": 1.3284237384796143,
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"cdr_fw_aligned": 2.113939344882965
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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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"heavy_chain": {
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"chain_id": "H",
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"total": 1.4448789358139038,
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"cdr": 2.270118474960327,
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"framework": 1.225189208984375,
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"cdr_fw_aligned": 2.730736017227173,
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"cdr1": 0.5348102450370789,
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"cdr2": 0.8108094930648804,
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"cdr3": 2.311333656311035,
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"cdr1_fw_aligned": 2.2546727657318115,
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"cdr2_fw_aligned": 1.6557031869888306,
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| 30 |
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"cdr3_fw_aligned": 3.527977705001831,
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"num_residues": 217,
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"num_cdr_residues": 22
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| 33 |
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},
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"light_chain": {
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| 35 |
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"chain_id": "L",
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"total": 1.4283092021942139,
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"cdr2": 0.21235832571983337,
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"cdr3": 0.8311754465103149,
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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_aligned_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_4_rmsd_backbone.json
ADDED
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{
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"entry": "1h0d_B_A_C_sample_4",
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"success": true,
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| 4 |
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"error": null,
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| 5 |
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"rmsd": {
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"total": 1.5615798234939575,
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| 10 |
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| 12 |
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| 13 |
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"num_aligned_atoms": 1756,
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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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| 17 |
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| 18 |
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| 19 |
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"heavy_chain": {
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| 20 |
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"chain_id": "B",
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| 21 |
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"total": 1.7838881015777588,
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| 22 |
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"cdr2": 0.2234085500240326,
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"cdr1_fw_aligned": 2.4764273166656494,
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"cdr2_fw_aligned": 2.0506553649902344,
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| 30 |
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| 31 |
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| 32 |
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|
| 33 |
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| 34 |
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| 35 |
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| 44 |
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"cdr2_fw_aligned": 1.2145291566848755,
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"cdr3_fw_aligned": 1.4632591009140015,
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"num_residues": 216,
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| 47 |
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"num_cdr_residues": 31
|
| 48 |
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| 49 |
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"heavy_chain_atom_counts": {
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| 50 |
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"num_pred_atoms": 892,
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| 51 |
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"num_gt_atoms": 892,
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| 52 |
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"num_aligned_atoms": 892
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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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"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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1qfw_I_M_B_sample_3_rmsd_backbone.json
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{
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"entry": "1qfw_I_M_B_sample_3",
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"success": true,
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| 4 |
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"error": null,
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| 5 |
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"rmsd": {
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| 6 |
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"total": 1.229940503835678,
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| 7 |
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"cdr": 1.8581468760967255,
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| 8 |
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"framework": 0.5695737302303314,
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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": 910,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "I",
|
| 21 |
+
"total": 1.787392020225525,
|
| 22 |
+
"cdr": 2.8065249919891357,
|
| 23 |
+
"framework": 0.6230341196060181,
|
| 24 |
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"cdr_fw_aligned": 3.841731071472168,
|
| 25 |
+
"cdr1": 0.45439133048057556,
|
| 26 |
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"cdr2": 1.1218713521957397,
|
| 27 |
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"cdr3": 1.9650880098342896,
|
| 28 |
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"cdr1_fw_aligned": 0.8148105144500732,
|
| 29 |
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"cdr2_fw_aligned": 1.3960537910461426,
|
| 30 |
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"cdr3_fw_aligned": 5.316086769104004,
|
| 31 |
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"num_residues": 121,
|
| 32 |
+
"num_cdr_residues": 26
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "M",
|
| 36 |
+
"total": 0.6724889874458313,
|
| 37 |
+
"cdr": 0.9097687602043152,
|
| 38 |
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"framework": 0.5161133408546448,
|
| 39 |
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"cdr_fw_aligned": 1.0576741695404053,
|
| 40 |
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"cdr1": 0.7740330696105957,
|
| 41 |
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"cdr2": 0.7262517213821411,
|
| 42 |
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"cdr3": 0.8823682069778442,
|
| 43 |
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"cdr1_fw_aligned": 0.8350447416305542,
|
| 44 |
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"cdr2_fw_aligned": 0.9475396871566772,
|
| 45 |
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"cdr3_fw_aligned": 1.3436710834503174,
|
| 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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"num_pred_atoms": 488,
|
| 51 |
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"num_gt_atoms": 481,
|
| 52 |
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"num_aligned_atoms": 481
|
| 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": 429,
|
| 57 |
+
"num_aligned_atoms": 429
|
| 58 |
+
}
|
| 59 |
+
}
|
1qle_H_L_B_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "1qle_H_L_B_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
+
"total": 0.9064312279224396,
|
| 7 |
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"cdr": 1.3008931279182434,
|
| 8 |
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"framework": 0.6794142425060272,
|
| 9 |
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"cdr_fw_aligned": 1.5054899454116821
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 908,
|
| 12 |
+
"num_gt_atoms": 908,
|
| 13 |
+
"num_aligned_atoms": 908,
|
| 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": 0.8755903840065002,
|
| 22 |
+
"cdr": 1.1845046281814575,
|
| 23 |
+
"framework": 0.7090286016464233,
|
| 24 |
+
"cdr_fw_aligned": 1.4850609302520752,
|
| 25 |
+
"cdr1": 0.485030859708786,
|
| 26 |
+
"cdr2": 0.5261967182159424,
|
| 27 |
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"cdr3": 1.4230217933654785,
|
| 28 |
+
"cdr1_fw_aligned": 0.6784647703170776,
|
| 29 |
+
"cdr2_fw_aligned": 0.7430391907691956,
|
| 30 |
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"cdr3_fw_aligned": 2.1598381996154785,
|
| 31 |
+
"num_residues": 119,
|
| 32 |
+
"num_cdr_residues": 22
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 0.9372720718383789,
|
| 37 |
+
"cdr": 1.4172816276550293,
|
| 38 |
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"framework": 0.6497998833656311,
|
| 39 |
+
"cdr_fw_aligned": 1.525918960571289,
|
| 40 |
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"cdr1": 0.30264565348625183,
|
| 41 |
+
"cdr2": 0.24451874196529388,
|
| 42 |
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"cdr3": 1.6542497873306274,
|
| 43 |
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"cdr1_fw_aligned": 0.4509386718273163,
|
| 44 |
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"cdr2_fw_aligned": 0.46761977672576904,
|
| 45 |
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"cdr3_fw_aligned": 2.4784770011901855,
|
| 46 |
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"num_residues": 108,
|
| 47 |
+
"num_cdr_residues": 28
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 476,
|
| 51 |
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"num_gt_atoms": 476,
|
| 52 |
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"num_aligned_atoms": 476
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 432,
|
| 56 |
+
"num_gt_atoms": 432,
|
| 57 |
+
"num_aligned_atoms": 432
|
| 58 |
+
}
|
| 59 |
+
}
|
1ua6_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "1ua6_H_L_Y_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
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"total": 0.6014076173305511,
|
| 7 |
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"cdr": 0.7467392086982727,
|
| 8 |
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"framework": 0.5267147719860077,
|
| 9 |
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|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 884,
|
| 12 |
+
"num_gt_atoms": 884,
|
| 13 |
+
"num_aligned_atoms": 884,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 1.0,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
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"total": 0.8202180862426758,
|
| 22 |
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"cdr": 0.9913762807846069,
|
| 23 |
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"framework": 0.7329617142677307,
|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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"cdr3": 0.22451357543468475,
|
| 28 |
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"cdr1_fw_aligned": 1.245813012123108,
|
| 29 |
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"cdr2_fw_aligned": 1.5511952638626099,
|
| 30 |
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"cdr3_fw_aligned": 0.9192989468574524,
|
| 31 |
+
"num_residues": 114,
|
| 32 |
+
"num_cdr_residues": 17
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 0.3825971484184265,
|
| 37 |
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|
| 38 |
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"framework": 0.32046782970428467,
|
| 39 |
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"cdr_fw_aligned": 0.5270097851753235,
|
| 40 |
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|
| 41 |
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|
| 42 |
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"cdr3": 0.22613628208637238,
|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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"num_residues": 107,
|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 456,
|
| 51 |
+
"num_gt_atoms": 456,
|
| 52 |
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"num_aligned_atoms": 456
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
+
"num_gt_atoms": 428,
|
| 57 |
+
"num_aligned_atoms": 428
|
| 58 |
+
}
|
| 59 |
+
}
|
1uac_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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|
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|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "1uac_H_L_Y_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
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"total": 0.6985255777835846,
|
| 7 |
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"cdr": 0.7256908714771271,
|
| 8 |
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"framework": 0.6493558287620544,
|
| 9 |
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|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 884,
|
| 12 |
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"num_gt_atoms": 884,
|
| 13 |
+
"num_aligned_atoms": 884,
|
| 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 |
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"total": 0.9200981259346008,
|
| 22 |
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"cdr": 0.846671462059021,
|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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"num_residues": 114,
|
| 32 |
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"num_cdr_residues": 17
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
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"total": 0.47695302963256836,
|
| 37 |
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"cdr": 0.6047102808952332,
|
| 38 |
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"framework": 0.3935060501098633,
|
| 39 |
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"cdr_fw_aligned": 0.7019461989402771,
|
| 40 |
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|
| 41 |
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"cdr2": 0.3914155662059784,
|
| 42 |
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"cdr3": 0.3462386131286621,
|
| 43 |
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"cdr1_fw_aligned": 0.6528289914131165,
|
| 44 |
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"cdr2_fw_aligned": 0.7247439026832581,
|
| 45 |
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|
| 46 |
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"num_residues": 107,
|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 456,
|
| 51 |
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"num_gt_atoms": 456,
|
| 52 |
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"num_aligned_atoms": 456
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
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|
| 56 |
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"num_gt_atoms": 428,
|
| 57 |
+
"num_aligned_atoms": 428
|
| 58 |
+
}
|
| 59 |
+
}
|
1v7m_I_M_X_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": "1v7m_I_M_X_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.1573494672775269,
|
| 7 |
+
"cdr": 1.36641263961792,
|
| 8 |
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"framework": 1.0416141748428345,
|
| 9 |
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"cdr_fw_aligned": 1.7714378833770752
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1720,
|
| 12 |
+
"num_gt_atoms": 1716,
|
| 13 |
+
"num_aligned_atoms": 1716,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9976744186046511,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "I",
|
| 21 |
+
"total": 1.241418480873108,
|
| 22 |
+
"cdr": 1.042149543762207,
|
| 23 |
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"framework": 1.2219996452331543,
|
| 24 |
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|
| 25 |
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|
| 26 |
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"cdr2": 0.7736683487892151,
|
| 27 |
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"cdr3": 0.93628990650177,
|
| 28 |
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"cdr1_fw_aligned": 1.0842691659927368,
|
| 29 |
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"cdr2_fw_aligned": 1.720794677734375,
|
| 30 |
+
"cdr3_fw_aligned": 1.3582992553710938,
|
| 31 |
+
"num_residues": 217,
|
| 32 |
+
"num_cdr_residues": 21
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "M",
|
| 36 |
+
"total": 1.0732804536819458,
|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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"cdr2": 0.20122948288917542,
|
| 42 |
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"cdr3": 1.141432523727417,
|
| 43 |
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"cdr1_fw_aligned": 1.2869268655776978,
|
| 44 |
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"cdr2_fw_aligned": 0.8761518001556396,
|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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"num_gt_atoms": 868,
|
| 52 |
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"num_aligned_atoms": 868
|
| 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": 848,
|
| 57 |
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"num_aligned_atoms": 848
|
| 58 |
+
}
|
| 59 |
+
}
|
1yy9_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "1yy9_D_C_A_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.1723133325576782,
|
| 7 |
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|
| 8 |
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"framework": 2.114720404148102,
|
| 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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|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9930875576036866,
|
| 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": 2.520218849182129,
|
| 22 |
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|
| 23 |
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"framework": 2.5167834758758545,
|
| 24 |
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|
| 25 |
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|
| 26 |
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"cdr2": 0.19500558078289032,
|
| 27 |
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"cdr3": 1.38968825340271,
|
| 28 |
+
"cdr1_fw_aligned": 3.6765480041503906,
|
| 29 |
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"cdr2_fw_aligned": 2.797027587890625,
|
| 30 |
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|
| 31 |
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|
| 32 |
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"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "C",
|
| 36 |
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"total": 1.8244078159332275,
|
| 37 |
+
"cdr": 0.9270179867744446,
|
| 38 |
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"framework": 1.7126573324203491,
|
| 39 |
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"cdr_fw_aligned": 2.9459917545318604,
|
| 40 |
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|
| 41 |
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"cdr2": 0.39111632108688354,
|
| 42 |
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"cdr3": 0.964407742023468,
|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
+
},
|
| 49 |
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|
| 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": 844
|
| 58 |
+
}
|
| 59 |
+
}
|
2ny0_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "2ny0_D_C_A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.5356808006763458,
|
| 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 |
+
},
|
| 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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"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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"cdr3": 1.7044999599456787,
|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 856
|
| 58 |
+
}
|
| 59 |
+
}
|
2p48_B__A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "2p48_B__A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.10278582572937,
|
| 7 |
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"cdr": 3.344017744064331,
|
| 8 |
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"framework": 1.3905761241912842,
|
| 9 |
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"cdr_fw_aligned": 3.792790174484253
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 492,
|
| 12 |
+
"num_gt_atoms": 484,
|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.983739837398374,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
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|
| 22 |
+
"cdr": 3.344017744064331,
|
| 23 |
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"framework": 1.3905761241912842,
|
| 24 |
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"cdr_fw_aligned": 3.792790174484253,
|
| 25 |
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"cdr1": 2.722169876098633,
|
| 26 |
+
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|
| 27 |
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|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 2.7070975303649902,
|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
+
},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
+
"num_gt_atoms": 484,
|
| 37 |
+
"num_aligned_atoms": 484
|
| 38 |
+
}
|
| 39 |
+
}
|
2wub_R_Q_C_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "2wub_R_Q_C_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 3.042542815208435,
|
| 7 |
+
"cdr": 0.7081980556249619,
|
| 8 |
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"framework": 2.8593080043792725,
|
| 9 |
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"cdr_fw_aligned": 4.818592548370361
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 1752,
|
| 12 |
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"num_gt_atoms": 1677,
|
| 13 |
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"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": 3.1013505458831787,
|
| 22 |
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"cdr": 1.0515682697296143,
|
| 23 |
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"framework": 2.9139397144317627,
|
| 24 |
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"cdr_fw_aligned": 4.917313098907471,
|
| 25 |
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"cdr1": 0.49150967597961426,
|
| 26 |
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"cdr2": 0.383384644985199,
|
| 27 |
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"cdr3": 1.205916166305542,
|
| 28 |
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"cdr1_fw_aligned": 5.642467021942139,
|
| 29 |
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"cdr2_fw_aligned": 5.3503193855285645,
|
| 30 |
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"cdr3_fw_aligned": 3.7610034942626953,
|
| 31 |
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"num_residues": 206,
|
| 32 |
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"num_cdr_residues": 21
|
| 33 |
+
},
|
| 34 |
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"light_chain": {
|
| 35 |
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"chain_id": "Q",
|
| 36 |
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"total": 2.9837350845336914,
|
| 37 |
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"cdr": 0.36482784152030945,
|
| 38 |
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"framework": 2.8046762943267822,
|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
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},
|
| 49 |
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"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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"num_pred_atoms": 856,
|
| 56 |
+
"num_gt_atoms": 856,
|
| 57 |
+
"num_aligned_atoms": 856
|
| 58 |
+
}
|
| 59 |
+
}
|
3nif_E_F_C_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
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|
|
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|
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|
|
|
|
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|
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|
|
|
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|
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|
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|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
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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": "3nif_E_F_C_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.318368375301361,
|
| 7 |
+
"cdr": 1.6654699444770813,
|
| 8 |
+
"framework": 1.1477981805801392,
|
| 9 |
+
"cdr_fw_aligned": 2.3690202236175537
|
| 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": 1.5093683004379272,
|
| 22 |
+
"cdr": 2.4136319160461426,
|
| 23 |
+
"framework": 1.2499618530273438,
|
| 24 |
+
"cdr_fw_aligned": 3.04819655418396,
|
| 25 |
+
"cdr1": 0.6665292382240295,
|
| 26 |
+
"cdr2": 0.3353032171726227,
|
| 27 |
+
"cdr3": 2.4610934257507324,
|
| 28 |
+
"cdr1_fw_aligned": 2.196277618408203,
|
| 29 |
+
"cdr2_fw_aligned": 1.8173930644989014,
|
| 30 |
+
"cdr3_fw_aligned": 4.0015153884887695,
|
| 31 |
+
"num_residues": 216,
|
| 32 |
+
"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "F",
|
| 36 |
+
"total": 1.127368450164795,
|
| 37 |
+
"cdr": 0.91730797290802,
|
| 38 |
+
"framework": 1.0456345081329346,
|
| 39 |
+
"cdr_fw_aligned": 1.6898438930511475,
|
| 40 |
+
"cdr1": 0.37554773688316345,
|
| 41 |
+
"cdr2": 0.17838060855865479,
|
| 42 |
+
"cdr3": 1.1531778573989868,
|
| 43 |
+
"cdr1_fw_aligned": 1.6779183149337769,
|
| 44 |
+
"cdr2_fw_aligned": 0.9619013667106628,
|
| 45 |
+
"cdr3_fw_aligned": 2.0990467071533203,
|
| 46 |
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"num_residues": 214,
|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"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_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "3opz_I_M_B_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.4236755967140198,
|
| 7 |
+
"cdr": 1.8015195727348328,
|
| 8 |
+
"framework": 1.1871814131736755,
|
| 9 |
+
"cdr_fw_aligned": 2.761225938796997
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1740,
|
| 12 |
+
"num_gt_atoms": 1728,
|
| 13 |
+
"num_aligned_atoms": 1728,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.993103448275862,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "I",
|
| 21 |
+
"total": 1.2771323919296265,
|
| 22 |
+
"cdr": 2.23305344581604,
|
| 23 |
+
"framework": 0.9958879947662354,
|
| 24 |
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"cdr_fw_aligned": 2.7920000553131104,
|
| 25 |
+
"cdr1": 2.1902360916137695,
|
| 26 |
+
"cdr2": 0.9083650708198547,
|
| 27 |
+
"cdr3": 1.8116117715835571,
|
| 28 |
+
"cdr1_fw_aligned": 3.5406627655029297,
|
| 29 |
+
"cdr2_fw_aligned": 1.583228349685669,
|
| 30 |
+
"cdr3_fw_aligned": 2.765812397003174,
|
| 31 |
+
"num_residues": 220,
|
| 32 |
+
"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "M",
|
| 36 |
+
"total": 1.570218801498413,
|
| 37 |
+
"cdr": 1.3699856996536255,
|
| 38 |
+
"framework": 1.3784748315811157,
|
| 39 |
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"cdr_fw_aligned": 2.730451822280884,
|
| 40 |
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"cdr1": 0.8102074265480042,
|
| 41 |
+
"cdr2": 0.19480913877487183,
|
| 42 |
+
"cdr3": 0.9574247002601624,
|
| 43 |
+
"cdr1_fw_aligned": 3.4072470664978027,
|
| 44 |
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"cdr2_fw_aligned": 1.5980334281921387,
|
| 45 |
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"cdr3_fw_aligned": 2.5791871547698975,
|
| 46 |
+
"num_residues": 212,
|
| 47 |
+
"num_cdr_residues": 26
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 888,
|
| 51 |
+
"num_gt_atoms": 880,
|
| 52 |
+
"num_aligned_atoms": 880
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 852,
|
| 56 |
+
"num_gt_atoms": 848,
|
| 57 |
+
"num_aligned_atoms": 848
|
| 58 |
+
}
|
| 59 |
+
}
|
3rvw_D_C_A_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "3rvw_D_C_A_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.9169159531593323,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
+
"num_pred_atoms": 1868,
|
| 12 |
+
"num_gt_atoms": 1716,
|
| 13 |
+
"num_aligned_atoms": 1716,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9186295503211992,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "D",
|
| 21 |
+
"total": 2.104464292526245,
|
| 22 |
+
"cdr": 3.2846076488494873,
|
| 23 |
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"framework": 1.4812698364257812,
|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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"cdr3": 2.4127728939056396,
|
| 28 |
+
"cdr1_fw_aligned": 2.836000919342041,
|
| 29 |
+
"cdr2_fw_aligned": 2.8234477043151855,
|
| 30 |
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"cdr3_fw_aligned": 6.427184104919434,
|
| 31 |
+
"num_residues": 218,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "C",
|
| 36 |
+
"total": 1.7293676137924194,
|
| 37 |
+
"cdr": 1.5914143323898315,
|
| 38 |
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"framework": 1.5554167032241821,
|
| 39 |
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"cdr_fw_aligned": 2.7963407039642334,
|
| 40 |
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"cdr1": 0.26517021656036377,
|
| 41 |
+
"cdr2": 0.27783721685409546,
|
| 42 |
+
"cdr3": 1.6508938074111938,
|
| 43 |
+
"cdr1_fw_aligned": 3.3069162368774414,
|
| 44 |
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"cdr2_fw_aligned": 2.321662664413452,
|
| 45 |
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"cdr3_fw_aligned": 2.4290688037872314,
|
| 46 |
+
"num_residues": 211,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 1020,
|
| 51 |
+
"num_gt_atoms": 872,
|
| 52 |
+
"num_aligned_atoms": 872
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 848,
|
| 56 |
+
"num_gt_atoms": 844,
|
| 57 |
+
"num_aligned_atoms": 844
|
| 58 |
+
}
|
| 59 |
+
}
|
3wfd_H_L_BC_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "3wfd_H_L_BC_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.2955880761146545,
|
| 7 |
+
"cdr": 1.9794508218765259,
|
| 8 |
+
"framework": 0.8202835619449615,
|
| 9 |
+
"cdr_fw_aligned": 2.8057789504528046
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1752,
|
| 12 |
+
"num_gt_atoms": 1752,
|
| 13 |
+
"num_aligned_atoms": 1752,
|
| 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": 1.8074259757995605,
|
| 22 |
+
"cdr": 3.5934009552001953,
|
| 23 |
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"framework": 0.8635143637657166,
|
| 24 |
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"cdr_fw_aligned": 4.720869064331055,
|
| 25 |
+
"cdr1": 0.41779521107673645,
|
| 26 |
+
"cdr2": 0.3748012185096741,
|
| 27 |
+
"cdr3": 2.680535316467285,
|
| 28 |
+
"cdr1_fw_aligned": 1.1637516021728516,
|
| 29 |
+
"cdr2_fw_aligned": 1.5519654750823975,
|
| 30 |
+
"cdr3_fw_aligned": 6.325050354003906,
|
| 31 |
+
"num_residues": 225,
|
| 32 |
+
"num_cdr_residues": 28
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 0.7837501764297485,
|
| 37 |
+
"cdr": 0.36550068855285645,
|
| 38 |
+
"framework": 0.7770527601242065,
|
| 39 |
+
"cdr_fw_aligned": 0.8906888365745544,
|
| 40 |
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"cdr1": 0.2934991419315338,
|
| 41 |
+
"cdr2": 0.14276711642742157,
|
| 42 |
+
"cdr3": 0.3551940619945526,
|
| 43 |
+
"cdr1_fw_aligned": 0.5795825123786926,
|
| 44 |
+
"cdr2_fw_aligned": 0.827516496181488,
|
| 45 |
+
"cdr3_fw_aligned": 1.1986567974090576,
|
| 46 |
+
"num_residues": 213,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 900,
|
| 51 |
+
"num_gt_atoms": 900,
|
| 52 |
+
"num_aligned_atoms": 900
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 852,
|
| 56 |
+
"num_gt_atoms": 852,
|
| 57 |
+
"num_aligned_atoms": 852
|
| 58 |
+
}
|
| 59 |
+
}
|
3zdy_H_L_AD_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "3zdy_H_L_AD_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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"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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"cdr2": 0.18029136955738068,
|
| 42 |
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"cdr3": 1.1640504598617554,
|
| 43 |
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"cdr1_fw_aligned": 5.008645057678223,
|
| 44 |
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"cdr2_fw_aligned": 4.4723052978515625,
|
| 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 |
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}
|
| 59 |
+
}
|
4aei_H_L_A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "4aei_H_L_A_sample_4",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 3.9893300533294678,
|
| 7 |
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|
| 8 |
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"framework": 3.6935155391693115,
|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
+
},
|
| 34 |
+
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|
| 35 |
+
"chain_id": "L",
|
| 36 |
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"total": 3.0799918174743652,
|
| 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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"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_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "4cmh_B_C_A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.891206979751587,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9575892857142857,
|
| 16 |
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|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "B",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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"num_residues": 216,
|
| 32 |
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|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"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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"cdr3": 0.5160695314407349,
|
| 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 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 852,
|
| 57 |
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"num_aligned_atoms": 852
|
| 58 |
+
}
|
| 59 |
+
}
|
4jm2_A_B_E_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": "4jm2_A_B_E_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
+
"total": 1.741980403661728,
|
| 7 |
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"cdr": 2.7184404134750366,
|
| 8 |
+
"framework": 0.9358620941638947,
|
| 9 |
+
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|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 1800,
|
| 12 |
+
"num_gt_atoms": 1764,
|
| 13 |
+
"num_aligned_atoms": 1764,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.98,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "A",
|
| 21 |
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"total": 2.5481698513031006,
|
| 22 |
+
"cdr": 4.249398708343506,
|
| 23 |
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"framework": 1.0040078163146973,
|
| 24 |
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|
| 25 |
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"cdr1": 3.2763373851776123,
|
| 26 |
+
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|
| 27 |
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"cdr3": 3.24100661277771,
|
| 28 |
+
"cdr1_fw_aligned": 4.952034950256348,
|
| 29 |
+
"cdr2_fw_aligned": 0.9253143668174744,
|
| 30 |
+
"cdr3_fw_aligned": 7.635225772857666,
|
| 31 |
+
"num_residues": 227,
|
| 32 |
+
"num_cdr_residues": 38
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "B",
|
| 36 |
+
"total": 0.9357909560203552,
|
| 37 |
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"cdr": 1.1874821186065674,
|
| 38 |
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"framework": 0.867716372013092,
|
| 39 |
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"cdr_fw_aligned": 1.3647637367248535,
|
| 40 |
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|
| 41 |
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|
| 42 |
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"cdr3": 0.9274246692657471,
|
| 43 |
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"cdr1_fw_aligned": 0.7017448544502258,
|
| 44 |
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"cdr2_fw_aligned": 0.8670654892921448,
|
| 45 |
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"cdr3_fw_aligned": 2.0978901386260986,
|
| 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 |
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"num_gt_atoms": 908,
|
| 52 |
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"num_aligned_atoms": 908
|
| 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 |
+
}
|
4krp_D_C_A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "4krp_D_C_A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 0.9084936380386353,
|
| 7 |
+
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|
| 8 |
+
"framework": 0.7921552062034607,
|
| 9 |
+
"cdr_fw_aligned": 1.5648366808891296
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 1724,
|
| 12 |
+
"num_gt_atoms": 1696,
|
| 13 |
+
"num_aligned_atoms": 1696,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9837587006960556,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "D",
|
| 21 |
+
"total": 1.1267341375350952,
|
| 22 |
+
"cdr": 1.5770134925842285,
|
| 23 |
+
"framework": 1.0349059104919434,
|
| 24 |
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"cdr_fw_aligned": 1.723175287246704,
|
| 25 |
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"cdr1": 0.297279417514801,
|
| 26 |
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"cdr2": 0.1526024490594864,
|
| 27 |
+
"cdr3": 1.5654877424240112,
|
| 28 |
+
"cdr1_fw_aligned": 1.4656044244766235,
|
| 29 |
+
"cdr2_fw_aligned": 1.331591010093689,
|
| 30 |
+
"cdr3_fw_aligned": 2.0089142322540283,
|
| 31 |
+
"num_residues": 213,
|
| 32 |
+
"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "C",
|
| 36 |
+
"total": 0.6902531385421753,
|
| 37 |
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"cdr": 0.8367284536361694,
|
| 38 |
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"framework": 0.549404501914978,
|
| 39 |
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"cdr_fw_aligned": 1.4064980745315552,
|
| 40 |
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|
| 41 |
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"cdr2": 0.46353772282600403,
|
| 42 |
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"cdr3": 0.5961759686470032,
|
| 43 |
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"cdr1_fw_aligned": 1.425386905670166,
|
| 44 |
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"cdr2_fw_aligned": 0.8468616604804993,
|
| 45 |
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"cdr3_fw_aligned": 1.7010926008224487,
|
| 46 |
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"num_residues": 211,
|
| 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": 880,
|
| 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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|
| 56 |
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"num_gt_atoms": 844,
|
| 57 |
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"num_aligned_atoms": 844
|
| 58 |
+
}
|
| 59 |
+
}
|
4nc2_B__A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "4nc2_B__A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.134705901145935,
|
| 7 |
+
"cdr": 1.3781009912490845,
|
| 8 |
+
"framework": 0.5375023484230042,
|
| 9 |
+
"cdr_fw_aligned": 2.4691567420959473
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 564,
|
| 12 |
+
"num_gt_atoms": 488,
|
| 13 |
+
"num_aligned_atoms": 488,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.8652482269503546,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
+
"total": 1.134705901145935,
|
| 22 |
+
"cdr": 1.3781009912490845,
|
| 23 |
+
"framework": 0.5375023484230042,
|
| 24 |
+
"cdr_fw_aligned": 2.4691567420959473,
|
| 25 |
+
"cdr1": 0.42263123393058777,
|
| 26 |
+
"cdr2": 1.221614956855774,
|
| 27 |
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"cdr3": 1.2371578216552734,
|
| 28 |
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"cdr1_fw_aligned": 1.381778597831726,
|
| 29 |
+
"cdr2_fw_aligned": 2.94972825050354,
|
| 30 |
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"cdr3_fw_aligned": 2.694509744644165,
|
| 31 |
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"num_residues": 122,
|
| 32 |
+
"num_cdr_residues": 26
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 564,
|
| 36 |
+
"num_gt_atoms": 488,
|
| 37 |
+
"num_aligned_atoms": 488
|
| 38 |
+
}
|
| 39 |
+
}
|
4nik_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "4nik_B_b_A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.528162956237793,
|
| 7 |
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"cdr": 2.158498704433441,
|
| 8 |
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"framework": 1.355147898197174,
|
| 9 |
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"cdr_fw_aligned": 2.36775279045105
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 2048,
|
| 12 |
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"num_gt_atoms": 1824,
|
| 13 |
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"num_aligned_atoms": 1824,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.890625,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
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"total": 1.528162956237793,
|
| 22 |
+
"cdr": 1.7218884229660034,
|
| 23 |
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"framework": 1.483555793762207,
|
| 24 |
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"cdr_fw_aligned": 1.9389934539794922,
|
| 25 |
+
"cdr1": 0.3335772454738617,
|
| 26 |
+
"cdr2": 0.19091300666332245,
|
| 27 |
+
"cdr3": 1.8188003301620483,
|
| 28 |
+
"cdr1_fw_aligned": 1.0988082885742188,
|
| 29 |
+
"cdr2_fw_aligned": 1.3776448965072632,
|
| 30 |
+
"cdr3_fw_aligned": 2.7183332443237305,
|
| 31 |
+
"num_residues": 228,
|
| 32 |
+
"num_cdr_residues": 21
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "B",
|
| 36 |
+
"total": 1.528162956237793,
|
| 37 |
+
"cdr": 2.595108985900879,
|
| 38 |
+
"framework": 1.2267400026321411,
|
| 39 |
+
"cdr_fw_aligned": 2.7965121269226074,
|
| 40 |
+
"cdr1": 2.0255563259124756,
|
| 41 |
+
"cdr2": 0.2907649278640747,
|
| 42 |
+
"cdr3": 2.044719934463501,
|
| 43 |
+
"cdr1_fw_aligned": 2.983924150466919,
|
| 44 |
+
"cdr2_fw_aligned": 1.1630597114562988,
|
| 45 |
+
"cdr3_fw_aligned": 3.2910821437835693,
|
| 46 |
+
"num_residues": 228,
|
| 47 |
+
"num_cdr_residues": 31
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 1024,
|
| 51 |
+
"num_gt_atoms": 912,
|
| 52 |
+
"num_aligned_atoms": 912
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 1024,
|
| 56 |
+
"num_gt_atoms": 912,
|
| 57 |
+
"num_aligned_atoms": 912
|
| 58 |
+
}
|
| 59 |
+
}
|
4om1_H_L_G_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "4om1_H_L_G_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 7.963647842407227,
|
| 7 |
+
"cdr": 2.7077960669994354,
|
| 8 |
+
"framework": 7.570727825164795,
|
| 9 |
+
"cdr_fw_aligned": 11.781060218811035
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1752,
|
| 12 |
+
"num_gt_atoms": 1752,
|
| 13 |
+
"num_aligned_atoms": 1752,
|
| 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": 8.633565902709961,
|
| 22 |
+
"cdr": 4.4665985107421875,
|
| 23 |
+
"framework": 8.145853996276855,
|
| 24 |
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"cdr_fw_aligned": 12.928306579589844,
|
| 25 |
+
"cdr1": 0.595471203327179,
|
| 26 |
+
"cdr2": 1.8145253658294678,
|
| 27 |
+
"cdr3": 3.3392770290374756,
|
| 28 |
+
"cdr1_fw_aligned": 16.715078353881836,
|
| 29 |
+
"cdr2_fw_aligned": 12.142573356628418,
|
| 30 |
+
"cdr3_fw_aligned": 11.198997497558594,
|
| 31 |
+
"num_residues": 228,
|
| 32 |
+
"num_cdr_residues": 29
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 7.293729782104492,
|
| 37 |
+
"cdr": 0.9489936232566833,
|
| 38 |
+
"framework": 6.995601654052734,
|
| 39 |
+
"cdr_fw_aligned": 10.633813858032227,
|
| 40 |
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"cdr1": 0.9384810328483582,
|
| 41 |
+
"cdr2": 0.33375921845436096,
|
| 42 |
+
"cdr3": 0.9167481064796448,
|
| 43 |
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"cdr1_fw_aligned": 12.609522819519043,
|
| 44 |
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"cdr2_fw_aligned": 10.388840675354004,
|
| 45 |
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"cdr3_fw_aligned": 6.134174346923828,
|
| 46 |
+
"num_residues": 210,
|
| 47 |
+
"num_cdr_residues": 21
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 912,
|
| 51 |
+
"num_gt_atoms": 912,
|
| 52 |
+
"num_aligned_atoms": 912
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 840,
|
| 56 |
+
"num_gt_atoms": 840,
|
| 57 |
+
"num_aligned_atoms": 840
|
| 58 |
+
}
|
| 59 |
+
}
|
4rfn_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "4rfn_B_C_A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 3.8778709173202515,
|
| 7 |
+
"cdr": 2.7588971853256226,
|
| 8 |
+
"framework": 3.3938612937927246,
|
| 9 |
+
"cdr_fw_aligned": 7.155382394790649
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1796,
|
| 12 |
+
"num_gt_atoms": 1708,
|
| 13 |
+
"num_aligned_atoms": 1708,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9510022271714922,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
+
"total": 4.143530368804932,
|
| 22 |
+
"cdr": 3.3196516036987305,
|
| 23 |
+
"framework": 3.7223060131073,
|
| 24 |
+
"cdr_fw_aligned": 7.312948703765869,
|
| 25 |
+
"cdr1": 1.2258473634719849,
|
| 26 |
+
"cdr2": 1.187798023223877,
|
| 27 |
+
"cdr3": 2.7214512825012207,
|
| 28 |
+
"cdr1_fw_aligned": 6.930458068847656,
|
| 29 |
+
"cdr2_fw_aligned": 4.327272415161133,
|
| 30 |
+
"cdr3_fw_aligned": 8.279786109924316,
|
| 31 |
+
"num_residues": 217,
|
| 32 |
+
"num_cdr_residues": 28
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "C",
|
| 36 |
+
"total": 3.6122114658355713,
|
| 37 |
+
"cdr": 2.1981427669525146,
|
| 38 |
+
"framework": 3.0654165744781494,
|
| 39 |
+
"cdr_fw_aligned": 6.99781608581543,
|
| 40 |
+
"cdr1": 2.5115325450897217,
|
| 41 |
+
"cdr2": 0.6597028970718384,
|
| 42 |
+
"cdr3": 0.9446401000022888,
|
| 43 |
+
"cdr1_fw_aligned": 6.902334213256836,
|
| 44 |
+
"cdr2_fw_aligned": 4.051992893218994,
|
| 45 |
+
"cdr3_fw_aligned": 8.441097259521484,
|
| 46 |
+
"num_residues": 210,
|
| 47 |
+
"num_cdr_residues": 31
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 932,
|
| 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": 840,
|
| 57 |
+
"num_aligned_atoms": 840
|
| 58 |
+
}
|
| 59 |
+
}
|
4rgo_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "4rgo_H_L_S_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 0.9797163009643555,
|
| 7 |
+
"cdr": 1.58597993850708,
|
| 8 |
+
"framework": 0.769105851650238,
|
| 9 |
+
"cdr_fw_aligned": 1.9299444556236267
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1744,
|
| 12 |
+
"num_gt_atoms": 1700,
|
| 13 |
+
"num_aligned_atoms": 1700,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9747706422018348,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.074439287185669,
|
| 22 |
+
"cdr": 1.9822951555252075,
|
| 23 |
+
"framework": 0.7307875156402588,
|
| 24 |
+
"cdr_fw_aligned": 2.5533108711242676,
|
| 25 |
+
"cdr1": 0.5392842292785645,
|
| 26 |
+
"cdr2": 0.22985772788524628,
|
| 27 |
+
"cdr3": 2.0507800579071045,
|
| 28 |
+
"cdr1_fw_aligned": 1.981454610824585,
|
| 29 |
+
"cdr2_fw_aligned": 1.0311826467514038,
|
| 30 |
+
"cdr3_fw_aligned": 3.210216999053955,
|
| 31 |
+
"num_residues": 213,
|
| 32 |
+
"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 0.884993314743042,
|
| 37 |
+
"cdr": 1.1896647214889526,
|
| 38 |
+
"framework": 0.8074241876602173,
|
| 39 |
+
"cdr_fw_aligned": 1.3065780401229858,
|
| 40 |
+
"cdr1": 0.18380022048950195,
|
| 41 |
+
"cdr2": 0.44258368015289307,
|
| 42 |
+
"cdr3": 1.4528628587722778,
|
| 43 |
+
"cdr1_fw_aligned": 0.749243974685669,
|
| 44 |
+
"cdr2_fw_aligned": 1.247763991355896,
|
| 45 |
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"cdr3_fw_aligned": 1.7956615686416626,
|
| 46 |
+
"num_residues": 212,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 888,
|
| 51 |
+
"num_gt_atoms": 852,
|
| 52 |
+
"num_aligned_atoms": 852
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 856,
|
| 56 |
+
"num_gt_atoms": 848,
|
| 57 |
+
"num_aligned_atoms": 848
|
| 58 |
+
}
|
| 59 |
+
}
|
4u1g_E_F_D_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "4u1g_E_F_D_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 2.671079397201538,
|
| 7 |
+
"cdr": 2.6028321981430054,
|
| 8 |
+
"framework": 2.253206491470337,
|
| 9 |
+
"cdr_fw_aligned": 5.052569627761841
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1984,
|
| 12 |
+
"num_gt_atoms": 1712,
|
| 13 |
+
"num_aligned_atoms": 1712,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.8629032258064516,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "E",
|
| 21 |
+
"total": 3.1477975845336914,
|
| 22 |
+
"cdr": 2.77295184135437,
|
| 23 |
+
"framework": 2.673713445663452,
|
| 24 |
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"cdr_fw_aligned": 5.846665859222412,
|
| 25 |
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"cdr1": 0.37068989872932434,
|
| 26 |
+
"cdr2": 0.35724472999572754,
|
| 27 |
+
"cdr3": 2.7225983142852783,
|
| 28 |
+
"cdr1_fw_aligned": 5.495061874389648,
|
| 29 |
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"cdr2_fw_aligned": 4.336099624633789,
|
| 30 |
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"cdr3_fw_aligned": 6.590143203735352,
|
| 31 |
+
"num_residues": 213,
|
| 32 |
+
"num_cdr_residues": 26
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "F",
|
| 36 |
+
"total": 2.1943612098693848,
|
| 37 |
+
"cdr": 2.4327125549316406,
|
| 38 |
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"framework": 1.8326995372772217,
|
| 39 |
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"cdr_fw_aligned": 4.2584733963012695,
|
| 40 |
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|
| 41 |
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"cdr2": 1.1432448625564575,
|
| 42 |
+
"cdr3": 1.1004620790481567,
|
| 43 |
+
"cdr1_fw_aligned": 4.723839282989502,
|
| 44 |
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"cdr2_fw_aligned": 2.7016475200653076,
|
| 45 |
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"cdr3_fw_aligned": 4.426703929901123,
|
| 46 |
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"num_residues": 215,
|
| 47 |
+
"num_cdr_residues": 31
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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"num_gt_atoms": 852,
|
| 52 |
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"num_aligned_atoms": 852
|
| 53 |
+
},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
+
"num_gt_atoms": 860,
|
| 57 |
+
"num_aligned_atoms": 860
|
| 58 |
+
}
|
| 59 |
+
}
|
4xt1_C__A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "4xt1_C__A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.9108822345733643,
|
| 7 |
+
"cdr": 3.7066075801849365,
|
| 8 |
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"framework": 0.8866527676582336,
|
| 9 |
+
"cdr_fw_aligned": 4.110603332519531
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 536,
|
| 12 |
+
"num_gt_atoms": 464,
|
| 13 |
+
"num_aligned_atoms": 464,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.8656716417910447,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
+
"total": 1.9108822345733643,
|
| 22 |
+
"cdr": 3.7066075801849365,
|
| 23 |
+
"framework": 0.8866527676582336,
|
| 24 |
+
"cdr_fw_aligned": 4.110603332519531,
|
| 25 |
+
"cdr1": 2.0202133655548096,
|
| 26 |
+
"cdr2": 0.3448127210140228,
|
| 27 |
+
"cdr3": 2.41772723197937,
|
| 28 |
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"cdr1_fw_aligned": 4.525535583496094,
|
| 29 |
+
"cdr2_fw_aligned": 1.0032881498336792,
|
| 30 |
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"cdr3_fw_aligned": 4.725882530212402,
|
| 31 |
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"num_residues": 116,
|
| 32 |
+
"num_cdr_residues": 22
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 536,
|
| 36 |
+
"num_gt_atoms": 464,
|
| 37 |
+
"num_aligned_atoms": 464
|
| 38 |
+
}
|
| 39 |
+
}
|
4y5y_D_E_F_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "4y5y_D_E_F_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.664136528968811,
|
| 7 |
+
"cdr": 1.88743656873703,
|
| 8 |
+
"framework": 1.4106429815292358,
|
| 9 |
+
"cdr_fw_aligned": 2.161571741104126
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 988,
|
| 12 |
+
"num_gt_atoms": 916,
|
| 13 |
+
"num_aligned_atoms": 916,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9271255060728745,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "D",
|
| 21 |
+
"total": 1.7526617050170898,
|
| 22 |
+
"cdr": 1.4621940851211548,
|
| 23 |
+
"framework": 1.7606745958328247,
|
| 24 |
+
"cdr_fw_aligned": 1.8599724769592285,
|
| 25 |
+
"cdr1": 0.6419587731361389,
|
| 26 |
+
"cdr2": 0.17776550352573395,
|
| 27 |
+
"cdr3": 1.3773528337478638,
|
| 28 |
+
"cdr1_fw_aligned": 1.5401360988616943,
|
| 29 |
+
"cdr2_fw_aligned": 0.6238471269607544,
|
| 30 |
+
"cdr3_fw_aligned": 2.4269776344299316,
|
| 31 |
+
"num_residues": 117,
|
| 32 |
+
"num_cdr_residues": 22
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "E",
|
| 36 |
+
"total": 1.5756113529205322,
|
| 37 |
+
"cdr": 2.3126790523529053,
|
| 38 |
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"framework": 1.060611367225647,
|
| 39 |
+
"cdr_fw_aligned": 2.4631710052490234,
|
| 40 |
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"cdr1": 2.5035083293914795,
|
| 41 |
+
"cdr2": 0.39768701791763306,
|
| 42 |
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"cdr3": 2.0214834213256836,
|
| 43 |
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"cdr1_fw_aligned": 2.6671032905578613,
|
| 44 |
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"cdr2_fw_aligned": 0.5627195239067078,
|
| 45 |
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"cdr3_fw_aligned": 2.8974292278289795,
|
| 46 |
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"num_residues": 112,
|
| 47 |
+
"num_cdr_residues": 32
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 520,
|
| 51 |
+
"num_gt_atoms": 468,
|
| 52 |
+
"num_aligned_atoms": 468
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 468,
|
| 56 |
+
"num_gt_atoms": 448,
|
| 57 |
+
"num_aligned_atoms": 448
|
| 58 |
+
}
|
| 59 |
+
}
|
5bv7_C_B_A_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": "5bv7_C_B_A_sample_2",
|
| 3 |
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"success": true,
|
| 4 |
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|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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"pred_coverage": 0.9578713968957872,
|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
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},
|
| 19 |
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"heavy_chain": {
|
| 20 |
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"chain_id": "C",
|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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"cdr1": 0.5414145588874817,
|
| 26 |
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|
| 27 |
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"cdr3": 4.3691558837890625,
|
| 28 |
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"cdr1_fw_aligned": 9.863119125366211,
|
| 29 |
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"cdr2_fw_aligned": 8.471435546875,
|
| 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": "B",
|
| 36 |
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|
| 37 |
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|
| 38 |
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"framework": 5.462896823883057,
|
| 39 |
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"cdr_fw_aligned": 10.246115684509277,
|
| 40 |
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"cdr1": 1.9737571477890015,
|
| 41 |
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"cdr2": 0.6702855825424194,
|
| 42 |
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"cdr3": 2.414151668548584,
|
| 43 |
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"cdr1_fw_aligned": 10.925366401672363,
|
| 44 |
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"cdr2_fw_aligned": 7.694875717163086,
|
| 45 |
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"cdr3_fw_aligned": 11.009256362915039,
|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 848
|
| 58 |
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}
|
| 59 |
+
}
|
5cd5_C_D_A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "5cd5_C_D_A_sample_3",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 4.582460165023804,
|
| 7 |
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|
| 8 |
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"framework": 4.328046441078186,
|
| 9 |
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|
| 10 |
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},
|
| 11 |
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|
| 12 |
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"num_gt_atoms": 1708,
|
| 13 |
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|
| 14 |
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|
| 15 |
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"pred_coverage": 0.9930232558139535,
|
| 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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"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
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"light_chain": {
|
| 35 |
+
"chain_id": "D",
|
| 36 |
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"total": 3.9873523712158203,
|
| 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": 0.5413897037506104,
|
| 43 |
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|
| 44 |
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"cdr2_fw_aligned": 5.5446343421936035,
|
| 45 |
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"cdr3_fw_aligned": 5.702783584594727,
|
| 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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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 828,
|
| 57 |
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"num_aligned_atoms": 828
|
| 58 |
+
}
|
| 59 |
+
}
|
5cjo_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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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "5cjo_H_L_A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.2148256301879883,
|
| 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 |
+
"num_aligned_atoms": 1620,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.8901098901098901,
|
| 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 |
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"cdr1_fw_aligned": 2.833479881286621,
|
| 29 |
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|
| 30 |
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|
| 31 |
+
"num_residues": 215,
|
| 32 |
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"num_cdr_residues": 33
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
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"total": 2.0889861583709717,
|
| 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": 4.3474931716918945,
|
| 44 |
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"cdr2_fw_aligned": 2.1948232650756836,
|
| 45 |
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|
| 46 |
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"num_residues": 190,
|
| 47 |
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"num_cdr_residues": 28
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 956,
|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 860
|
| 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": 760,
|
| 57 |
+
"num_aligned_atoms": 760
|
| 58 |
+
}
|
| 59 |
+
}
|
5fyl_D_E_B_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
|
|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "5fyl_D_E_B_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
+
"total": 5.6657633781433105,
|
| 7 |
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"cdr": 2.140791952610016,
|
| 8 |
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"framework": 5.528862714767456,
|
| 9 |
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"cdr_fw_aligned": 6.919238328933716
|
| 10 |
+
},
|
| 11 |
+
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|
| 12 |
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"num_gt_atoms": 1820,
|
| 13 |
+
"num_aligned_atoms": 1820,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9912854030501089,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "D",
|
| 21 |
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"total": 7.563897609710693,
|
| 22 |
+
"cdr": 1.9288426637649536,
|
| 23 |
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"framework": 7.613899230957031,
|
| 24 |
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|
| 25 |
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"cdr1": 0.5949040055274963,
|
| 26 |
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|
| 27 |
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"cdr3": 1.3353803157806396,
|
| 28 |
+
"cdr1_fw_aligned": 10.50000286102295,
|
| 29 |
+
"cdr2_fw_aligned": 7.9010467529296875,
|
| 30 |
+
"cdr3_fw_aligned": 5.745471954345703,
|
| 31 |
+
"num_residues": 242,
|
| 32 |
+
"num_cdr_residues": 27
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "E",
|
| 36 |
+
"total": 3.7676291465759277,
|
| 37 |
+
"cdr": 2.352741241455078,
|
| 38 |
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"framework": 3.443826198577881,
|
| 39 |
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"cdr_fw_aligned": 6.1201605796813965,
|
| 40 |
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|
| 41 |
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|
| 42 |
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"cdr3": 1.6935282945632935,
|
| 43 |
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"cdr1_fw_aligned": 7.384237289428711,
|
| 44 |
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"cdr2_fw_aligned": 4.961216926574707,
|
| 45 |
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"cdr3_fw_aligned": 4.748406410217285,
|
| 46 |
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"num_residues": 213,
|
| 47 |
+
"num_cdr_residues": 31
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 972,
|
| 51 |
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"num_gt_atoms": 968,
|
| 52 |
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"num_aligned_atoms": 968
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 864,
|
| 56 |
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"num_gt_atoms": 852,
|
| 57 |
+
"num_aligned_atoms": 852
|
| 58 |
+
}
|
| 59 |
+
}
|
5i74_B_C_A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
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"entry": "5i74_B_C_A_sample_1",
|
| 3 |
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|
| 4 |
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|
| 5 |
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|
| 6 |
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| 7 |
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| 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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"cdr1_fw_aligned": 3.135465383529663,
|
| 29 |
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"cdr2_fw_aligned": 2.5685272216796875,
|
| 30 |
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"cdr3_fw_aligned": 1.675559639930725,
|
| 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": "C",
|
| 36 |
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"total": 1.4804083108901978,
|
| 37 |
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|
| 38 |
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|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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|
| 43 |
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|
| 44 |
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|
| 45 |
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|
| 46 |
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|
| 47 |
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|
| 48 |
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|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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|
| 53 |
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},
|
| 54 |
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|
| 55 |
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|
| 56 |
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|
| 57 |
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"num_aligned_atoms": 856
|
| 58 |
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}
|
| 59 |
+
}
|
5m15_C__A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "5m15_C__A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.3724111318588257,
|
| 7 |
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"cdr": 2.0380589962005615,
|
| 8 |
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"framework": 0.8540573120117188,
|
| 9 |
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"cdr_fw_aligned": 2.5254876613616943
|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 512,
|
| 12 |
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"num_gt_atoms": 508,
|
| 13 |
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"num_aligned_atoms": 508,
|
| 14 |
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"alignment_coverage": {
|
| 15 |
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|
| 16 |
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|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "C",
|
| 21 |
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|
| 22 |
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|
| 23 |
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"framework": 0.8540573120117188,
|
| 24 |
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"cdr_fw_aligned": 2.5254876613616943,
|
| 25 |
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|
| 26 |
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"cdr2": 1.1138478517532349,
|
| 27 |
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|
| 28 |
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|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
+
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|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
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"num_gt_atoms": 508,
|
| 37 |
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"num_aligned_atoms": 508
|
| 38 |
+
}
|
| 39 |
+
}
|
5m2j_D__A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "5m2j_D__A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.8202900886535645,
|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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},
|
| 11 |
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"num_pred_atoms": 460,
|
| 12 |
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"num_gt_atoms": 460,
|
| 13 |
+
"num_aligned_atoms": 460,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 1.0,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "D",
|
| 21 |
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"total": 1.8202900886535645,
|
| 22 |
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"cdr": 2.686058521270752,
|
| 23 |
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"framework": 0.6745194792747498,
|
| 24 |
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"cdr_fw_aligned": 4.356778621673584,
|
| 25 |
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"cdr1": 0.2924841344356537,
|
| 26 |
+
"cdr2": 0.2411888837814331,
|
| 27 |
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"cdr3": 2.2989091873168945,
|
| 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": 19
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
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|
| 36 |
+
"num_gt_atoms": 460,
|
| 37 |
+
"num_aligned_atoms": 460
|
| 38 |
+
}
|
| 39 |
+
}
|
5njg_E_F_A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
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{
|
| 2 |
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"entry": "5njg_E_F_A_sample_1",
|
| 3 |
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"success": true,
|
| 4 |
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"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 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": "E",
|
| 21 |
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"total": 1.0531355142593384,
|
| 22 |
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|
| 23 |
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"framework": 0.615679144859314,
|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
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"cdr3": 1.6910837888717651,
|
| 28 |
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"cdr1_fw_aligned": 1.622258186340332,
|
| 29 |
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|
| 30 |
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"cdr3_fw_aligned": 2.76701283454895,
|
| 31 |
+
"num_residues": 118,
|
| 32 |
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"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "F",
|
| 36 |
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"total": 0.8632340431213379,
|
| 37 |
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"cdr": 0.9300031661987305,
|
| 38 |
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"framework": 0.7651862502098083,
|
| 39 |
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"cdr_fw_aligned": 1.166861653327942,
|
| 40 |
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"cdr1": 0.40553879737854004,
|
| 41 |
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|
| 42 |
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"cdr3": 1.1938965320587158,
|
| 43 |
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|
| 44 |
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|
| 45 |
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"cdr3_fw_aligned": 1.7589571475982666,
|
| 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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"num_aligned_atoms": 472
|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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|
| 57 |
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|
| 58 |
+
}
|
| 59 |
+
}
|
5nqw_C__B_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
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|
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|
|
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|
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|
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|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "5nqw_C__B_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.6582590341567993,
|
| 7 |
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"cdr": 2.737792730331421,
|
| 8 |
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"framework": 0.8894567489624023,
|
| 9 |
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|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 536,
|
| 12 |
+
"num_gt_atoms": 492,
|
| 13 |
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"num_aligned_atoms": 492,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.917910447761194,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
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"total": 1.6582590341567993,
|
| 22 |
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"cdr": 2.737792730331421,
|
| 23 |
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"framework": 0.8894567489624023,
|
| 24 |
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"cdr_fw_aligned": 3.2884745597839355,
|
| 25 |
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"cdr1": 0.5173985362052917,
|
| 26 |
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"cdr2": 0.5652605891227722,
|
| 27 |
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"cdr3": 2.4424846172332764,
|
| 28 |
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|
| 29 |
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"cdr2_fw_aligned": 0.710416316986084,
|
| 30 |
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|
| 31 |
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"num_residues": 123,
|
| 32 |
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|
| 33 |
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},
|
| 34 |
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"heavy_chain_atom_counts": {
|
| 35 |
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|
| 36 |
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"num_gt_atoms": 492,
|
| 37 |
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"num_aligned_atoms": 492
|
| 38 |
+
}
|
| 39 |
+
}
|
5o6v_H_L_B_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": "5o6v_H_L_B_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
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"total": 1.7052024006843567,
|
| 7 |
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"cdr": 1.8683049082756042,
|
| 8 |
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"framework": 1.6028679013252258,
|
| 9 |
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"cdr_fw_aligned": 2.435634732246399
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1680,
|
| 12 |
+
"num_gt_atoms": 1680,
|
| 13 |
+
"num_aligned_atoms": 1680,
|
| 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": 1.7656288146972656,
|
| 22 |
+
"cdr": 2.4890570640563965,
|
| 23 |
+
"framework": 1.5882023572921753,
|
| 24 |
+
"cdr_fw_aligned": 2.847637176513672,
|
| 25 |
+
"cdr1": 0.5590512156486511,
|
| 26 |
+
"cdr2": 1.1452486515045166,
|
| 27 |
+
"cdr3": 2.067218780517578,
|
| 28 |
+
"cdr1_fw_aligned": 2.054511785507202,
|
| 29 |
+
"cdr2_fw_aligned": 1.970004677772522,
|
| 30 |
+
"cdr3_fw_aligned": 3.5902037620544434,
|
| 31 |
+
"num_residues": 212,
|
| 32 |
+
"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 1.6447759866714478,
|
| 37 |
+
"cdr": 1.247552752494812,
|
| 38 |
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"framework": 1.6175334453582764,
|
| 39 |
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"cdr_fw_aligned": 2.023632287979126,
|
| 40 |
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"cdr1": 0.7510095834732056,
|
| 41 |
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"cdr2": 0.8006224632263184,
|
| 42 |
+
"cdr3": 1.0285488367080688,
|
| 43 |
+
"cdr1_fw_aligned": 1.5952048301696777,
|
| 44 |
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"cdr2_fw_aligned": 1.7915587425231934,
|
| 45 |
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|
| 46 |
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"num_residues": 208,
|
| 47 |
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"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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"num_gt_atoms": 848,
|
| 52 |
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"num_aligned_atoms": 848
|
| 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": 832,
|
| 57 |
+
"num_aligned_atoms": 832
|
| 58 |
+
}
|
| 59 |
+
}
|
5occ_H_L_A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "5occ_H_L_A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
+
"total": 9.524044513702393,
|
| 7 |
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"cdr": 2.61393803358078,
|
| 8 |
+
"framework": 9.032804489135742,
|
| 9 |
+
"cdr_fw_aligned": 14.056571006774902
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 1756,
|
| 12 |
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"num_gt_atoms": 1752,
|
| 13 |
+
"num_aligned_atoms": 1752,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9977220956719818,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
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"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 9.591547966003418,
|
| 22 |
+
"cdr": 1.8808401823043823,
|
| 23 |
+
"framework": 9.282145500183105,
|
| 24 |
+
"cdr_fw_aligned": 13.299068450927734,
|
| 25 |
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"cdr1": 0.8004862666130066,
|
| 26 |
+
"cdr2": 1.3382841348648071,
|
| 27 |
+
"cdr3": 1.434349536895752,
|
| 28 |
+
"cdr1_fw_aligned": 16.634387969970703,
|
| 29 |
+
"cdr2_fw_aligned": 14.646315574645996,
|
| 30 |
+
"cdr3_fw_aligned": 9.990076065063477,
|
| 31 |
+
"num_residues": 222,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 9.456541061401367,
|
| 37 |
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"cdr": 3.3470358848571777,
|
| 38 |
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"framework": 8.783463478088379,
|
| 39 |
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"cdr_fw_aligned": 14.81407356262207,
|
| 40 |
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"cdr1": 3.360968589782715,
|
| 41 |
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"cdr2": 0.3839963376522064,
|
| 42 |
+
"cdr3": 2.4838783740997314,
|
| 43 |
+
"cdr1_fw_aligned": 17.51823616027832,
|
| 44 |
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"cdr2_fw_aligned": 12.392071723937988,
|
| 45 |
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"cdr3_fw_aligned": 12.25201416015625,
|
| 46 |
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|
| 47 |
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"num_cdr_residues": 32
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 888,
|
| 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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|
| 56 |
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"num_gt_atoms": 864,
|
| 57 |
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"num_aligned_atoms": 864
|
| 58 |
+
}
|
| 59 |
+
}
|
5omn_C__B_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
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|
|
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|
|
|
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|
|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "5omn_C__B_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.0133414268493652,
|
| 7 |
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"cdr": 1.6576536893844604,
|
| 8 |
+
"framework": 0.7144731283187866,
|
| 9 |
+
"cdr_fw_aligned": 2.0241987705230713
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 476,
|
| 12 |
+
"num_gt_atoms": 452,
|
| 13 |
+
"num_aligned_atoms": 452,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9495798319327731,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
+
"total": 1.0133414268493652,
|
| 22 |
+
"cdr": 1.6576536893844604,
|
| 23 |
+
"framework": 0.7144731283187866,
|
| 24 |
+
"cdr_fw_aligned": 2.0241987705230713,
|
| 25 |
+
"cdr1": 0.7470587491989136,
|
| 26 |
+
"cdr2": 1.702825903892517,
|
| 27 |
+
"cdr3": 1.0750541687011719,
|
| 28 |
+
"cdr1_fw_aligned": 1.4965111017227173,
|
| 29 |
+
"cdr2_fw_aligned": 2.5495409965515137,
|
| 30 |
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"cdr3_fw_aligned": 2.0725784301757812,
|
| 31 |
+
"num_residues": 113,
|
| 32 |
+
"num_cdr_residues": 17
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 476,
|
| 36 |
+
"num_gt_atoms": 452,
|
| 37 |
+
"num_aligned_atoms": 452
|
| 38 |
+
}
|
| 39 |
+
}
|
5otj_H_L_C_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
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|
|
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|
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|
|
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|
|
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|
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|
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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": "5otj_H_L_C_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 1.5854502320289612,
|
| 7 |
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"cdr": 1.9422736167907715,
|
| 8 |
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"framework": 1.314590871334076,
|
| 9 |
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"cdr_fw_aligned": 2.8126178979873657
|
| 10 |
+
},
|
| 11 |
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"num_pred_atoms": 1788,
|
| 12 |
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"num_gt_atoms": 1740,
|
| 13 |
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"num_aligned_atoms": 1740,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9731543624161074,
|
| 16 |
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"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
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"chain_id": "H",
|
| 21 |
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"total": 1.6037445068359375,
|
| 22 |
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"cdr": 1.7076919078826904,
|
| 23 |
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"framework": 1.4639451503753662,
|
| 24 |
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|
| 25 |
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"cdr1": 0.44532614946365356,
|
| 26 |
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"cdr2": 0.5681485533714294,
|
| 27 |
+
"cdr3": 1.8778034448623657,
|
| 28 |
+
"cdr1_fw_aligned": 1.7910183668136597,
|
| 29 |
+
"cdr2_fw_aligned": 2.3956336975097656,
|
| 30 |
+
"cdr3_fw_aligned": 2.913783311843872,
|
| 31 |
+
"num_residues": 222,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
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"total": 1.5671559572219849,
|
| 37 |
+
"cdr": 2.1768553256988525,
|
| 38 |
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"framework": 1.1652365922927856,
|
| 39 |
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"cdr_fw_aligned": 3.105159282684326,
|
| 40 |
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|
| 41 |
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"cdr2": 0.4291832745075226,
|
| 42 |
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"cdr3": 1.6570675373077393,
|
| 43 |
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"cdr1_fw_aligned": 3.918788194656372,
|
| 44 |
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"cdr2_fw_aligned": 2.1691343784332275,
|
| 45 |
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|
| 46 |
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|
| 47 |
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"num_cdr_residues": 32
|
| 48 |
+
},
|
| 49 |
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"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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"num_gt_atoms": 888,
|
| 52 |
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"num_aligned_atoms": 888
|
| 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 |
+
}
|
5uek_H_L_A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
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|
|
|
|
|
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|
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|
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|
|
|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "5uek_H_L_A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.491523027420044,
|
| 7 |
+
"cdr": 1.5404205322265625,
|
| 8 |
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"framework": 1.389901041984558,
|
| 9 |
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"cdr_fw_aligned": 2.237714111804962
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1768,
|
| 12 |
+
"num_gt_atoms": 1704,
|
| 13 |
+
"num_aligned_atoms": 1704,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9638009049773756,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.7658898830413818,
|
| 22 |
+
"cdr": 1.4937363862991333,
|
| 23 |
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"framework": 1.6950676441192627,
|
| 24 |
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"cdr_fw_aligned": 2.536360025405884,
|
| 25 |
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"cdr1": 0.44869816303253174,
|
| 26 |
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"cdr2": 1.5083777904510498,
|
| 27 |
+
"cdr3": 0.9072749614715576,
|
| 28 |
+
"cdr1_fw_aligned": 1.8080828189849854,
|
| 29 |
+
"cdr2_fw_aligned": 3.7199697494506836,
|
| 30 |
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"cdr3_fw_aligned": 1.909938097000122,
|
| 31 |
+
"num_residues": 217,
|
| 32 |
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"num_cdr_residues": 21
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
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"chain_id": "L",
|
| 36 |
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"total": 1.217156171798706,
|
| 37 |
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"cdr": 1.5871046781539917,
|
| 38 |
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"framework": 1.0847344398498535,
|
| 39 |
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"cdr_fw_aligned": 1.9390681982040405,
|
| 40 |
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"cdr1": 1.5129996538162231,
|
| 41 |
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"cdr2": 0.0925925225019455,
|
| 42 |
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|
| 43 |
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"cdr1_fw_aligned": 2.155391216278076,
|
| 44 |
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"cdr2_fw_aligned": 1.4016659259796143,
|
| 45 |
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"cdr3_fw_aligned": 2.010573625564575,
|
| 46 |
+
"num_residues": 209,
|
| 47 |
+
"num_cdr_residues": 28
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 908,
|
| 51 |
+
"num_gt_atoms": 868,
|
| 52 |
+
"num_aligned_atoms": 868
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 860,
|
| 56 |
+
"num_gt_atoms": 836,
|
| 57 |
+
"num_aligned_atoms": 836
|
| 58 |
+
}
|
| 59 |
+
}
|
6ad7_C_D_A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "6ad7_C_D_A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 2.380000412464142,
|
| 7 |
+
"cdr": 1.3015695214271545,
|
| 8 |
+
"framework": 2.246052861213684,
|
| 9 |
+
"cdr_fw_aligned": 3.507864832878113
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1732,
|
| 12 |
+
"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": "C",
|
| 21 |
+
"total": 2.9828829765319824,
|
| 22 |
+
"cdr": 1.2629225254058838,
|
| 23 |
+
"framework": 2.8673694133758545,
|
| 24 |
+
"cdr_fw_aligned": 4.092279434204102,
|
| 25 |
+
"cdr1": 0.9074517488479614,
|
| 26 |
+
"cdr2": 0.1978452205657959,
|
| 27 |
+
"cdr3": 1.3049488067626953,
|
| 28 |
+
"cdr1_fw_aligned": 5.6791768074035645,
|
| 29 |
+
"cdr2_fw_aligned": 4.59434175491333,
|
| 30 |
+
"cdr3_fw_aligned": 2.349618911743164,
|
| 31 |
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"num_residues": 222,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "D",
|
| 36 |
+
"total": 1.7771178483963013,
|
| 37 |
+
"cdr": 1.3402165174484253,
|
| 38 |
+
"framework": 1.6247363090515137,
|
| 39 |
+
"cdr_fw_aligned": 2.923450231552124,
|
| 40 |
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"cdr1": 0.9850008487701416,
|
| 41 |
+
"cdr2": 0.45867425203323364,
|
| 42 |
+
"cdr3": 1.5862065553665161,
|
| 43 |
+
"cdr1_fw_aligned": 3.120971918106079,
|
| 44 |
+
"cdr2_fw_aligned": 2.127866506576538,
|
| 45 |
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"cdr3_fw_aligned": 3.216499090194702,
|
| 46 |
+
"num_residues": 211,
|
| 47 |
+
"num_cdr_residues": 26
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 888,
|
| 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": 844,
|
| 56 |
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"num_gt_atoms": 844,
|
| 57 |
+
"num_aligned_atoms": 844
|
| 58 |
+
}
|
| 59 |
+
}
|
6aod_B_A_C_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
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|
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|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "6aod_B_A_C_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
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"total": 1.9730773568153381,
|
| 7 |
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"cdr": 2.1976118087768555,
|
| 8 |
+
"framework": 1.7539934515953064,
|
| 9 |
+
"cdr_fw_aligned": 3.410792827606201
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1772,
|
| 12 |
+
"num_gt_atoms": 1672,
|
| 13 |
+
"num_aligned_atoms": 1672,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.9435665914221218,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
+
"total": 1.8800421953201294,
|
| 22 |
+
"cdr": 2.381465196609497,
|
| 23 |
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"framework": 1.5773804187774658,
|
| 24 |
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"cdr_fw_aligned": 3.6936473846435547,
|
| 25 |
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"cdr1": 0.282818466424942,
|
| 26 |
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"cdr2": 0.20763948559761047,
|
| 27 |
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"cdr3": 2.1019978523254395,
|
| 28 |
+
"cdr1_fw_aligned": 3.192622423171997,
|
| 29 |
+
"cdr2_fw_aligned": 2.898135185241699,
|
| 30 |
+
"cdr3_fw_aligned": 4.53815221786499,
|
| 31 |
+
"num_residues": 211,
|
| 32 |
+
"num_cdr_residues": 21
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "A",
|
| 36 |
+
"total": 2.066112518310547,
|
| 37 |
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"cdr": 2.013758420944214,
|
| 38 |
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"framework": 1.930606484413147,
|
| 39 |
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"cdr_fw_aligned": 3.1279382705688477,
|
| 40 |
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"cdr1": 1.9198817014694214,
|
| 41 |
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"cdr2": 0.17394523322582245,
|
| 42 |
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"cdr3": 1.6011958122253418,
|
| 43 |
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"cdr1_fw_aligned": 2.399489164352417,
|
| 44 |
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"cdr2_fw_aligned": 2.788011312484741,
|
| 45 |
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"cdr3_fw_aligned": 4.03352165222168,
|
| 46 |
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|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 844
|
| 53 |
+
},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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|
| 56 |
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"num_gt_atoms": 828,
|
| 57 |
+
"num_aligned_atoms": 828
|
| 58 |
+
}
|
| 59 |
+
}
|
6b0n_D_E_G_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
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|
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|
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|
|
|
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|
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|
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|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "6b0n_D_E_G_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
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"rmsd": {
|
| 6 |
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"total": 2.258703112602234,
|
| 7 |
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"cdr": 1.8296877145767212,
|
| 8 |
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"framework": 2.2102884650230408,
|
| 9 |
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"cdr_fw_aligned": 2.743674159049988
|
| 10 |
+
},
|
| 11 |
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|
| 12 |
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|
| 13 |
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"num_aligned_atoms": 1412,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
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"pred_coverage": 0.8171296296296297,
|
| 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": 1.7979679107666016,
|
| 22 |
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"cdr": 1.6463685035705566,
|
| 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": 1.6797144412994385,
|
| 29 |
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|
| 30 |
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"cdr3_fw_aligned": 1.9139363765716553,
|
| 31 |
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"num_residues": 171,
|
| 32 |
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"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "E",
|
| 36 |
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"total": 2.719438314437866,
|
| 37 |
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|
| 38 |
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"framework": 2.6418933868408203,
|
| 39 |
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|
| 40 |
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|
| 41 |
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|
| 42 |
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"cdr3": 0.34786880016326904,
|
| 43 |
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"cdr1_fw_aligned": 3.796487808227539,
|
| 44 |
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"cdr2_fw_aligned": 3.357193946838379,
|
| 45 |
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"cdr3_fw_aligned": 2.8309459686279297,
|
| 46 |
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"num_residues": 182,
|
| 47 |
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"num_cdr_residues": 25
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 892,
|
| 51 |
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|
| 52 |
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"num_aligned_atoms": 684
|
| 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": 728,
|
| 57 |
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"num_aligned_atoms": 728
|
| 58 |
+
}
|
| 59 |
+
}
|
6de7_D_E_B_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "6de7_D_E_B_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
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"total": 2.208799421787262,
|
| 7 |
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"cdr": 2.435418128967285,
|
| 8 |
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"framework": 2.065131962299347,
|
| 9 |
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"cdr_fw_aligned": 2.9474085569381714
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1836,
|
| 12 |
+
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|
| 13 |
+
"num_aligned_atoms": 1596,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.869281045751634,
|
| 16 |
+
"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": 2.9331040382385254,
|
| 22 |
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"cdr": 2.957472562789917,
|
| 23 |
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"framework": 2.851879358291626,
|
| 24 |
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|
| 25 |
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"cdr1": 2.2213025093078613,
|
| 26 |
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"cdr2": 0.6699926257133484,
|
| 27 |
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"cdr3": 2.412968158721924,
|
| 28 |
+
"cdr1_fw_aligned": 3.0122294425964355,
|
| 29 |
+
"cdr2_fw_aligned": 0.8191683292388916,
|
| 30 |
+
"cdr3_fw_aligned": 4.410983085632324,
|
| 31 |
+
"num_residues": 205,
|
| 32 |
+
"num_cdr_residues": 27
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "E",
|
| 36 |
+
"total": 1.4844948053359985,
|
| 37 |
+
"cdr": 1.9133636951446533,
|
| 38 |
+
"framework": 1.2783845663070679,
|
| 39 |
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"cdr_fw_aligned": 2.3465518951416016,
|
| 40 |
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"cdr1": 1.6841849088668823,
|
| 41 |
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"cdr2": 0.8264105916023254,
|
| 42 |
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"cdr3": 1.8202177286148071,
|
| 43 |
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"cdr1_fw_aligned": 1.9736130237579346,
|
| 44 |
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"cdr2_fw_aligned": 1.9292387962341309,
|
| 45 |
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"cdr3_fw_aligned": 3.0018301010131836,
|
| 46 |
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"num_residues": 194,
|
| 47 |
+
"num_cdr_residues": 31
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
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"num_pred_atoms": 972,
|
| 51 |
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"num_gt_atoms": 820,
|
| 52 |
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"num_aligned_atoms": 820
|
| 53 |
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},
|
| 54 |
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"light_chain_atom_counts": {
|
| 55 |
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"num_pred_atoms": 864,
|
| 56 |
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"num_gt_atoms": 776,
|
| 57 |
+
"num_aligned_atoms": 776
|
| 58 |
+
}
|
| 59 |
+
}
|
6e0c_M_m_ABCD_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
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|
| 1 |
+
{
|
| 2 |
+
"entry": "6e0c_M_m_ABCD_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.0434662103652954,
|
| 7 |
+
"cdr": 1.2058517336845398,
|
| 8 |
+
"framework": 0.9385370910167694,
|
| 9 |
+
"cdr_fw_aligned": 1.6982170343399048
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 2120,
|
| 12 |
+
"num_gt_atoms": 1832,
|
| 13 |
+
"num_aligned_atoms": 1832,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.8641509433962264,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "M",
|
| 21 |
+
"total": 1.0434662103652954,
|
| 22 |
+
"cdr": 1.2613520622253418,
|
| 23 |
+
"framework": 0.8882064819335938,
|
| 24 |
+
"cdr_fw_aligned": 1.9807161092758179,
|
| 25 |
+
"cdr1": 0.5599939823150635,
|
| 26 |
+
"cdr2": 0.26560142636299133,
|
| 27 |
+
"cdr3": 1.352386236190796,
|
| 28 |
+
"cdr1_fw_aligned": 1.674620509147644,
|
| 29 |
+
"cdr2_fw_aligned": 0.6517215967178345,
|
| 30 |
+
"cdr3_fw_aligned": 2.5580341815948486,
|
| 31 |
+
"num_residues": 229,
|
| 32 |
+
"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "M",
|
| 36 |
+
"total": 1.0434662103652954,
|
| 37 |
+
"cdr": 1.1503514051437378,
|
| 38 |
+
"framework": 0.9888677000999451,
|
| 39 |
+
"cdr_fw_aligned": 1.4157179594039917,
|
| 40 |
+
"cdr1": 0.9796055555343628,
|
| 41 |
+
"cdr2": 0.39680030941963196,
|
| 42 |
+
"cdr3": 1.0948278903961182,
|
| 43 |
+
"cdr1_fw_aligned": 1.0909640789031982,
|
| 44 |
+
"cdr2_fw_aligned": 0.8438655138015747,
|
| 45 |
+
"cdr3_fw_aligned": 2.0010523796081543,
|
| 46 |
+
"num_residues": 229,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 1060,
|
| 51 |
+
"num_gt_atoms": 916,
|
| 52 |
+
"num_aligned_atoms": 916
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 1060,
|
| 56 |
+
"num_gt_atoms": 916,
|
| 57 |
+
"num_aligned_atoms": 916
|
| 58 |
+
}
|
| 59 |
+
}
|
6h6y_H__D_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "6h6y_H__D_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.2063606977462769,
|
| 7 |
+
"cdr": 2.1112847328186035,
|
| 8 |
+
"framework": 0.5710398554801941,
|
| 9 |
+
"cdr_fw_aligned": 2.7202837467193604
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 528,
|
| 12 |
+
"num_gt_atoms": 472,
|
| 13 |
+
"num_aligned_atoms": 472,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.8939393939393939,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.2063606977462769,
|
| 22 |
+
"cdr": 2.1112847328186035,
|
| 23 |
+
"framework": 0.5710398554801941,
|
| 24 |
+
"cdr_fw_aligned": 2.7202837467193604,
|
| 25 |
+
"cdr1": 2.5137689113616943,
|
| 26 |
+
"cdr2": 0.695016622543335,
|
| 27 |
+
"cdr3": 0.9503639936447144,
|
| 28 |
+
"cdr1_fw_aligned": 4.198176383972168,
|
| 29 |
+
"cdr2_fw_aligned": 1.2636628150939941,
|
| 30 |
+
"cdr3_fw_aligned": 1.6750012636184692,
|
| 31 |
+
"num_residues": 118,
|
| 32 |
+
"num_cdr_residues": 21
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 528,
|
| 36 |
+
"num_gt_atoms": 472,
|
| 37 |
+
"num_aligned_atoms": 472
|
| 38 |
+
}
|
| 39 |
+
}
|
6huj_G__AE_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "6huj_G__AE_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 6.978610038757324,
|
| 7 |
+
"cdr": 1.9471980333328247,
|
| 8 |
+
"framework": 7.6148223876953125,
|
| 9 |
+
"cdr_fw_aligned": 4.750705718994141
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 2156,
|
| 12 |
+
"num_gt_atoms": 484,
|
| 13 |
+
"num_aligned_atoms": 484,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.22448979591836735,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "G",
|
| 21 |
+
"total": 6.978610038757324,
|
| 22 |
+
"cdr": 1.9471980333328247,
|
| 23 |
+
"framework": 7.6148223876953125,
|
| 24 |
+
"cdr_fw_aligned": 4.750705718994141,
|
| 25 |
+
"cdr1": 1.7475700378417969,
|
| 26 |
+
"cdr2": 0.5350046753883362,
|
| 27 |
+
"cdr3": 1.8878798484802246,
|
| 28 |
+
"cdr1_fw_aligned": 6.648488521575928,
|
| 29 |
+
"cdr2_fw_aligned": 1.71682870388031,
|
| 30 |
+
"cdr3_fw_aligned": 4.360557556152344,
|
| 31 |
+
"num_residues": 121,
|
| 32 |
+
"num_cdr_residues": 27
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 2156,
|
| 36 |
+
"num_gt_atoms": 484,
|
| 37 |
+
"num_aligned_atoms": 484
|
| 38 |
+
}
|
| 39 |
+
}
|