Add files using upload-large-folder tool
Browse filesThis view is limited to 50 files because it contains too many changes. See raw diff
- 1ar1_C_D_B_sample_0_rmsd_backbone.json +59 -0
- 1ar1_C_D_B_sample_2_rmsd_backbone.json +59 -0
- 1qfw_I_M_B_sample_0_rmsd_backbone.json +59 -0
- 1qfw_I_M_B_sample_2_rmsd_backbone.json +59 -0
- 1qle_H_L_B_sample_2_rmsd_backbone.json +59 -0
- 1ua6_H_L_Y_sample_3_rmsd_backbone.json +59 -0
- 1v7m_I_M_X_sample_3_rmsd_backbone.json +59 -0
- 2ny0_D_C_A_sample_2_rmsd_backbone.json +59 -0
- 2p48_B__A_sample_2_rmsd_backbone.json +39 -0
- 2wub_R_Q_C_sample_0_rmsd_backbone.json +59 -0
- 3d9a_H_L_C_sample_1_rmsd_backbone.json +59 -0
- 3ldb_C_B_A_sample_1_rmsd_backbone.json +59 -0
- 3nif_E_F_C_sample_0_rmsd_backbone.json +59 -0
- 3rvw_D_C_A_sample_4_rmsd_backbone.json +59 -0
- 4ffz_Z_Y_X_sample_4_rmsd_backbone.json +59 -0
- 4jlr_H_L_S_sample_4_rmsd_backbone.json +59 -0
- 4kkl_C_D_A_sample_3_rmsd_backbone.json +59 -0
- 4msw_A_B_C_sample_0_rmsd_backbone.json +59 -0
- 4nik_B_b_A_sample_3_rmsd_backbone.json +59 -0
- 4om1_H_L_G_sample_1_rmsd_backbone.json +59 -0
- 4ps4_H_L_A_sample_4_rmsd_backbone.json +59 -0
- 4u1g_E_F_D_sample_4_rmsd_backbone.json +59 -0
- 4xt1_C__A_sample_3_rmsd_backbone.json +39 -0
- 4y5y_D_E_F_sample_0_rmsd_backbone.json +59 -0
- 4y5y_D_E_F_sample_2_rmsd_backbone.json +59 -0
- 5bjz_D_H_B_sample_0_rmsd_backbone.json +59 -0
- 5bv7_C_B_A_sample_4_rmsd_backbone.json +59 -0
- 5cd5_C_D_A_sample_0_rmsd_backbone.json +59 -0
- 5cd5_C_D_A_sample_2_rmsd_backbone.json +59 -0
- 5e94_B_A_G_sample_1_rmsd_backbone.json +59 -0
- 5hd8_C_D_A_sample_0_rmsd_backbone.json +59 -0
- 5i74_B_C_A_sample_0_rmsd_backbone.json +59 -0
- 5i74_B_C_A_sample_2_rmsd_backbone.json +59 -0
- 5lhq_B__A_sample_3_rmsd_backbone.json +39 -0
- 5m15_C__A_sample_2_rmsd_backbone.json +39 -0
- 5nj3_C_D_B_sample_4_rmsd_backbone.json +59 -0
- 5o6v_H_L_B_sample_4_rmsd_backbone.json +59 -0
- 5occ_H_L_A_sample_0_rmsd_backbone.json +59 -0
- 5occ_H_L_A_sample_2_rmsd_backbone.json +59 -0
- 6aod_B_A_C_sample_0_rmsd_backbone.json +59 -0
- 6aod_B_A_C_sample_2_rmsd_backbone.json +59 -0
- 6cxy_H_L_C_sample_3_rmsd_backbone.json +59 -0
- 6e0c_M_m_ABCD_sample_1_rmsd_backbone.json +59 -0
- 6e0c_M_m_ABCD_sample_3_rmsd_backbone.json +59 -0
- 6h6y_H__D_sample_4_rmsd_backbone.json +39 -0
- 6ibb_B__A_sample_1_rmsd_backbone.json +39 -0
- 6ibb_B__A_sample_3_rmsd_backbone.json +39 -0
- 6j71_B_b_A_sample_4_rmsd_backbone.json +59 -0
- 6lxk_J_K_C_sample_0_rmsd_backbone.json +59 -0
- 6lxk_J_K_C_sample_2_rmsd_backbone.json +59 -0
1ar1_C_D_B_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "1ar1_C_D_B_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.0690480768680573,
|
| 7 |
+
"cdr": 1.8134183883666992,
|
| 8 |
+
"framework": 0.49373796582221985,
|
| 9 |
+
"cdr_fw_aligned": 2.211070418357849
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 988,
|
| 12 |
+
"num_gt_atoms": 904,
|
| 13 |
+
"num_aligned_atoms": 904,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9149797570850202,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
+
"total": 1.193202257156372,
|
| 22 |
+
"cdr": 2.2175586223602295,
|
| 23 |
+
"framework": 0.4497547745704651,
|
| 24 |
+
"cdr_fw_aligned": 2.694139003753662,
|
| 25 |
+
"cdr1": 0.33893731236457825,
|
| 26 |
+
"cdr2": 0.3114302456378937,
|
| 27 |
+
"cdr3": 1.777661681175232,
|
| 28 |
+
"cdr1_fw_aligned": 0.5385821461677551,
|
| 29 |
+
"cdr2_fw_aligned": 0.7681100368499756,
|
| 30 |
+
"cdr3_fw_aligned": 4.138085842132568,
|
| 31 |
+
"num_residues": 118,
|
| 32 |
+
"num_cdr_residues": 22
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "D",
|
| 36 |
+
"total": 0.9448938965797424,
|
| 37 |
+
"cdr": 1.409278154373169,
|
| 38 |
+
"framework": 0.5377211570739746,
|
| 39 |
+
"cdr_fw_aligned": 1.7280018329620361,
|
| 40 |
+
"cdr1": 0.346995085477829,
|
| 41 |
+
"cdr2": 0.20520596206188202,
|
| 42 |
+
"cdr3": 1.5310906171798706,
|
| 43 |
+
"cdr1_fw_aligned": 0.47082868218421936,
|
| 44 |
+
"cdr2_fw_aligned": 0.6723300218582153,
|
| 45 |
+
"cdr3_fw_aligned": 2.792940139770508,
|
| 46 |
+
"num_residues": 108,
|
| 47 |
+
"num_cdr_residues": 28
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 508,
|
| 51 |
+
"num_gt_atoms": 472,
|
| 52 |
+
"num_aligned_atoms": 472
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 480,
|
| 56 |
+
"num_gt_atoms": 432,
|
| 57 |
+
"num_aligned_atoms": 432
|
| 58 |
+
}
|
| 59 |
+
}
|
1ar1_C_D_B_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "1ar1_C_D_B_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 0.8113522529602051,
|
| 7 |
+
"cdr": 1.2934800386428833,
|
| 8 |
+
"framework": 0.455293208360672,
|
| 9 |
+
"cdr_fw_aligned": 1.564391016960144
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 988,
|
| 12 |
+
"num_gt_atoms": 904,
|
| 13 |
+
"num_aligned_atoms": 904,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9149797570850202,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
+
"total": 0.6541873216629028,
|
| 22 |
+
"cdr": 1.1245675086975098,
|
| 23 |
+
"framework": 0.3970925211906433,
|
| 24 |
+
"cdr_fw_aligned": 1.322914719581604,
|
| 25 |
+
"cdr1": 0.39446207880973816,
|
| 26 |
+
"cdr2": 0.3807777762413025,
|
| 27 |
+
"cdr3": 1.3011231422424316,
|
| 28 |
+
"cdr1_fw_aligned": 0.6202834248542786,
|
| 29 |
+
"cdr2_fw_aligned": 0.5820800065994263,
|
| 30 |
+
"cdr3_fw_aligned": 1.9372410774230957,
|
| 31 |
+
"num_residues": 118,
|
| 32 |
+
"num_cdr_residues": 22
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "D",
|
| 36 |
+
"total": 0.9685171842575073,
|
| 37 |
+
"cdr": 1.4623925685882568,
|
| 38 |
+
"framework": 0.5134938955307007,
|
| 39 |
+
"cdr_fw_aligned": 1.805867314338684,
|
| 40 |
+
"cdr1": 0.3386167585849762,
|
| 41 |
+
"cdr2": 0.2846524119377136,
|
| 42 |
+
"cdr3": 1.8349394798278809,
|
| 43 |
+
"cdr1_fw_aligned": 0.5603599548339844,
|
| 44 |
+
"cdr2_fw_aligned": 0.8192043304443359,
|
| 45 |
+
"cdr3_fw_aligned": 2.883755922317505,
|
| 46 |
+
"num_residues": 108,
|
| 47 |
+
"num_cdr_residues": 28
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 508,
|
| 51 |
+
"num_gt_atoms": 472,
|
| 52 |
+
"num_aligned_atoms": 472
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 480,
|
| 56 |
+
"num_gt_atoms": 432,
|
| 57 |
+
"num_aligned_atoms": 432
|
| 58 |
+
}
|
| 59 |
+
}
|
1qfw_I_M_B_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "1qfw_I_M_B_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 0.9347497224807739,
|
| 7 |
+
"cdr": 1.454845815896988,
|
| 8 |
+
"framework": 0.5893147885799408,
|
| 9 |
+
"cdr_fw_aligned": 1.646679550409317
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 920,
|
| 12 |
+
"num_gt_atoms": 910,
|
| 13 |
+
"num_aligned_atoms": 910,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9891304347826086,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "I",
|
| 21 |
+
"total": 1.2347891330718994,
|
| 22 |
+
"cdr": 2.1456894874572754,
|
| 23 |
+
"framework": 0.6282191276550293,
|
| 24 |
+
"cdr_fw_aligned": 2.4244384765625,
|
| 25 |
+
"cdr1": 0.4141097664833069,
|
| 26 |
+
"cdr2": 1.071006417274475,
|
| 27 |
+
"cdr3": 2.4162614345550537,
|
| 28 |
+
"cdr1_fw_aligned": 0.7459802031517029,
|
| 29 |
+
"cdr2_fw_aligned": 1.1828171014785767,
|
| 30 |
+
"cdr3_fw_aligned": 3.2879247665405273,
|
| 31 |
+
"num_residues": 121,
|
| 32 |
+
"num_cdr_residues": 26
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "M",
|
| 36 |
+
"total": 0.6347103118896484,
|
| 37 |
+
"cdr": 0.7640021443367004,
|
| 38 |
+
"framework": 0.5504104495048523,
|
| 39 |
+
"cdr_fw_aligned": 0.868920624256134,
|
| 40 |
+
"cdr1": 0.7833675146102905,
|
| 41 |
+
"cdr2": 0.7345750331878662,
|
| 42 |
+
"cdr3": 0.40427789092063904,
|
| 43 |
+
"cdr1_fw_aligned": 0.8647208213806152,
|
| 44 |
+
"cdr2_fw_aligned": 0.9968467354774475,
|
| 45 |
+
"cdr3_fw_aligned": 0.760453462600708,
|
| 46 |
+
"num_residues": 108,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 488,
|
| 51 |
+
"num_gt_atoms": 481,
|
| 52 |
+
"num_aligned_atoms": 481
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 432,
|
| 56 |
+
"num_gt_atoms": 429,
|
| 57 |
+
"num_aligned_atoms": 429
|
| 58 |
+
}
|
| 59 |
+
}
|
1qfw_I_M_B_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "1qfw_I_M_B_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 0.7772712707519531,
|
| 7 |
+
"cdr": 1.1279983520507812,
|
| 8 |
+
"framework": 0.5797885060310364,
|
| 9 |
+
"cdr_fw_aligned": 1.281270056962967
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 920,
|
| 12 |
+
"num_gt_atoms": 910,
|
| 13 |
+
"num_aligned_atoms": 910,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9891304347826086,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "I",
|
| 21 |
+
"total": 0.896285891532898,
|
| 22 |
+
"cdr": 1.4228075742721558,
|
| 23 |
+
"framework": 0.6080650091171265,
|
| 24 |
+
"cdr_fw_aligned": 1.6105366945266724,
|
| 25 |
+
"cdr1": 0.5093186497688293,
|
| 26 |
+
"cdr2": 1.1010607481002808,
|
| 27 |
+
"cdr3": 1.582384467124939,
|
| 28 |
+
"cdr1_fw_aligned": 0.946958065032959,
|
| 29 |
+
"cdr2_fw_aligned": 1.252088189125061,
|
| 30 |
+
"cdr3_fw_aligned": 1.995307207107544,
|
| 31 |
+
"num_residues": 121,
|
| 32 |
+
"num_cdr_residues": 26
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "M",
|
| 36 |
+
"total": 0.6582566499710083,
|
| 37 |
+
"cdr": 0.8331891298294067,
|
| 38 |
+
"framework": 0.5515120029449463,
|
| 39 |
+
"cdr_fw_aligned": 0.9520034193992615,
|
| 40 |
+
"cdr1": 0.8301024436950684,
|
| 41 |
+
"cdr2": 0.7226829528808594,
|
| 42 |
+
"cdr3": 0.47348204255104065,
|
| 43 |
+
"cdr1_fw_aligned": 0.9380035996437073,
|
| 44 |
+
"cdr2_fw_aligned": 0.9250344038009644,
|
| 45 |
+
"cdr3_fw_aligned": 0.9889554381370544,
|
| 46 |
+
"num_residues": 108,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 488,
|
| 51 |
+
"num_gt_atoms": 481,
|
| 52 |
+
"num_aligned_atoms": 481
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 432,
|
| 56 |
+
"num_gt_atoms": 429,
|
| 57 |
+
"num_aligned_atoms": 429
|
| 58 |
+
}
|
| 59 |
+
}
|
1qle_H_L_B_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "1qle_H_L_B_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 0.8319783210754395,
|
| 7 |
+
"cdr": 1.1899303793907166,
|
| 8 |
+
"framework": 0.6357735991477966,
|
| 9 |
+
"cdr_fw_aligned": 1.3970720171928406
|
| 10 |
+
},
|
| 11 |
+
"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": 0.8931150436401367,
|
| 22 |
+
"cdr": 1.374210000038147,
|
| 23 |
+
"framework": 0.6402770280838013,
|
| 24 |
+
"cdr_fw_aligned": 1.690524697303772,
|
| 25 |
+
"cdr1": 0.5347269773483276,
|
| 26 |
+
"cdr2": 0.5266820192337036,
|
| 27 |
+
"cdr3": 1.3012691736221313,
|
| 28 |
+
"cdr1_fw_aligned": 0.9195288419723511,
|
| 29 |
+
"cdr2_fw_aligned": 0.6969404816627502,
|
| 30 |
+
"cdr3_fw_aligned": 2.4503958225250244,
|
| 31 |
+
"num_residues": 119,
|
| 32 |
+
"num_cdr_residues": 22
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 0.7708415985107422,
|
| 37 |
+
"cdr": 1.0056507587432861,
|
| 38 |
+
"framework": 0.631270170211792,
|
| 39 |
+
"cdr_fw_aligned": 1.1036193370819092,
|
| 40 |
+
"cdr1": 0.3764347732067108,
|
| 41 |
+
"cdr2": 0.30160489678382874,
|
| 42 |
+
"cdr3": 1.3899850845336914,
|
| 43 |
+
"cdr1_fw_aligned": 0.6367486119270325,
|
| 44 |
+
"cdr2_fw_aligned": 0.48735740780830383,
|
| 45 |
+
"cdr3_fw_aligned": 1.6727442741394043,
|
| 46 |
+
"num_residues": 108,
|
| 47 |
+
"num_cdr_residues": 28
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 476,
|
| 51 |
+
"num_gt_atoms": 476,
|
| 52 |
+
"num_aligned_atoms": 476
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 432,
|
| 56 |
+
"num_gt_atoms": 432,
|
| 57 |
+
"num_aligned_atoms": 432
|
| 58 |
+
}
|
| 59 |
+
}
|
1ua6_H_L_Y_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "1ua6_H_L_Y_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 0.7326717227697372,
|
| 7 |
+
"cdr": 1.1066988706588745,
|
| 8 |
+
"framework": 0.5698093920946121,
|
| 9 |
+
"cdr_fw_aligned": 1.3082492649555206
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 884,
|
| 12 |
+
"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 |
+
"total": 0.9919369220733643,
|
| 22 |
+
"cdr": 1.643904685974121,
|
| 23 |
+
"framework": 0.7261937856674194,
|
| 24 |
+
"cdr_fw_aligned": 1.9908607006072998,
|
| 25 |
+
"cdr1": 0.618172287940979,
|
| 26 |
+
"cdr2": 1.189512848854065,
|
| 27 |
+
"cdr3": 0.8116111159324646,
|
| 28 |
+
"cdr1_fw_aligned": 1.5909535884857178,
|
| 29 |
+
"cdr2_fw_aligned": 2.720865488052368,
|
| 30 |
+
"cdr3_fw_aligned": 1.5903691053390503,
|
| 31 |
+
"num_residues": 114,
|
| 32 |
+
"num_cdr_residues": 17
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 0.47340652346611023,
|
| 37 |
+
"cdr": 0.5694930553436279,
|
| 38 |
+
"framework": 0.4134249985218048,
|
| 39 |
+
"cdr_fw_aligned": 0.6256378293037415,
|
| 40 |
+
"cdr1": 0.27465879917144775,
|
| 41 |
+
"cdr2": 0.4719587564468384,
|
| 42 |
+
"cdr3": 0.2895627021789551,
|
| 43 |
+
"cdr1_fw_aligned": 0.32554447650909424,
|
| 44 |
+
"cdr2_fw_aligned": 0.9090012907981873,
|
| 45 |
+
"cdr3_fw_aligned": 0.6340943574905396,
|
| 46 |
+
"num_residues": 107,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 456,
|
| 51 |
+
"num_gt_atoms": 456,
|
| 52 |
+
"num_aligned_atoms": 456
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 428,
|
| 56 |
+
"num_gt_atoms": 428,
|
| 57 |
+
"num_aligned_atoms": 428
|
| 58 |
+
}
|
| 59 |
+
}
|
1v7m_I_M_X_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "1v7m_I_M_X_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 2.0026345252990723,
|
| 7 |
+
"cdr": 1.089407742023468,
|
| 8 |
+
"framework": 1.8730764389038086,
|
| 9 |
+
"cdr_fw_aligned": 3.0835639238357544
|
| 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 |
+
"chain_id": "I",
|
| 21 |
+
"total": 1.9926748275756836,
|
| 22 |
+
"cdr": 0.910362720489502,
|
| 23 |
+
"framework": 1.8948436975479126,
|
| 24 |
+
"cdr_fw_aligned": 3.077731132507324,
|
| 25 |
+
"cdr1": 0.5176514983177185,
|
| 26 |
+
"cdr2": 0.27062058448791504,
|
| 27 |
+
"cdr3": 0.7347219586372375,
|
| 28 |
+
"cdr1_fw_aligned": 3.7589659690856934,
|
| 29 |
+
"cdr2_fw_aligned": 2.882564067840576,
|
| 30 |
+
"cdr3_fw_aligned": 2.6095826625823975,
|
| 31 |
+
"num_residues": 217,
|
| 32 |
+
"num_cdr_residues": 21
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "M",
|
| 36 |
+
"total": 2.012594223022461,
|
| 37 |
+
"cdr": 1.268452763557434,
|
| 38 |
+
"framework": 1.8513091802597046,
|
| 39 |
+
"cdr_fw_aligned": 3.0893967151641846,
|
| 40 |
+
"cdr1": 0.45301854610443115,
|
| 41 |
+
"cdr2": 0.20278777182102203,
|
| 42 |
+
"cdr3": 1.068137526512146,
|
| 43 |
+
"cdr1_fw_aligned": 3.4468579292297363,
|
| 44 |
+
"cdr2_fw_aligned": 2.873992681503296,
|
| 45 |
+
"cdr3_fw_aligned": 2.8191239833831787,
|
| 46 |
+
"num_residues": 212,
|
| 47 |
+
"num_cdr_residues": 26
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 868,
|
| 51 |
+
"num_gt_atoms": 868,
|
| 52 |
+
"num_aligned_atoms": 868
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 852,
|
| 56 |
+
"num_gt_atoms": 848,
|
| 57 |
+
"num_aligned_atoms": 848
|
| 58 |
+
}
|
| 59 |
+
}
|
2ny0_D_C_A_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "2ny0_D_C_A_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.9211777448654175,
|
| 7 |
+
"cdr": 2.561501443386078,
|
| 8 |
+
"framework": 1.322107970714569,
|
| 9 |
+
"cdr_fw_aligned": 4.262286424636841
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1772,
|
| 12 |
+
"num_gt_atoms": 1744,
|
| 13 |
+
"num_aligned_atoms": 1744,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9841986455981941,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "D",
|
| 21 |
+
"total": 2.2153913974761963,
|
| 22 |
+
"cdr": 3.7330281734466553,
|
| 23 |
+
"framework": 1.308089017868042,
|
| 24 |
+
"cdr_fw_aligned": 5.126812934875488,
|
| 25 |
+
"cdr1": 0.7698771357536316,
|
| 26 |
+
"cdr2": 0.22123779356479645,
|
| 27 |
+
"cdr3": 3.5488882064819336,
|
| 28 |
+
"cdr1_fw_aligned": 2.313131809234619,
|
| 29 |
+
"cdr2_fw_aligned": 2.2205917835235596,
|
| 30 |
+
"cdr3_fw_aligned": 6.382762432098389,
|
| 31 |
+
"num_residues": 222,
|
| 32 |
+
"num_cdr_residues": 32
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "C",
|
| 36 |
+
"total": 1.6269640922546387,
|
| 37 |
+
"cdr": 1.3899747133255005,
|
| 38 |
+
"framework": 1.3361269235610962,
|
| 39 |
+
"cdr_fw_aligned": 3.3977599143981934,
|
| 40 |
+
"cdr1": 0.2444526106119156,
|
| 41 |
+
"cdr2": 0.19855929911136627,
|
| 42 |
+
"cdr3": 1.7177057266235352,
|
| 43 |
+
"cdr1_fw_aligned": 2.289287805557251,
|
| 44 |
+
"cdr2_fw_aligned": 2.167759418487549,
|
| 45 |
+
"cdr3_fw_aligned": 4.712222576141357,
|
| 46 |
+
"num_residues": 214,
|
| 47 |
+
"num_cdr_residues": 29
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 916,
|
| 51 |
+
"num_gt_atoms": 888,
|
| 52 |
+
"num_aligned_atoms": 888
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 856,
|
| 56 |
+
"num_gt_atoms": 856,
|
| 57 |
+
"num_aligned_atoms": 856
|
| 58 |
+
}
|
| 59 |
+
}
|
2p48_B__A_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "2p48_B__A_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.9323731660842896,
|
| 7 |
+
"cdr": 3.0659327507019043,
|
| 8 |
+
"framework": 1.317753791809082,
|
| 9 |
+
"cdr_fw_aligned": 3.4285221099853516
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 492,
|
| 12 |
+
"num_gt_atoms": 484,
|
| 13 |
+
"num_aligned_atoms": 484,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.983739837398374,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
+
"total": 1.9323731660842896,
|
| 22 |
+
"cdr": 3.0659327507019043,
|
| 23 |
+
"framework": 1.317753791809082,
|
| 24 |
+
"cdr_fw_aligned": 3.4285221099853516,
|
| 25 |
+
"cdr1": 2.6314024925231934,
|
| 26 |
+
"cdr2": 1.088393211364746,
|
| 27 |
+
"cdr3": 1.9215739965438843,
|
| 28 |
+
"cdr1_fw_aligned": 4.424829006195068,
|
| 29 |
+
"cdr2_fw_aligned": 1.9607099294662476,
|
| 30 |
+
"cdr3_fw_aligned": 3.338524580001831,
|
| 31 |
+
"num_residues": 121,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 492,
|
| 36 |
+
"num_gt_atoms": 484,
|
| 37 |
+
"num_aligned_atoms": 484
|
| 38 |
+
}
|
| 39 |
+
}
|
2wub_R_Q_C_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "2wub_R_Q_C_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 2.2222414016723633,
|
| 7 |
+
"cdr": 0.7615460455417633,
|
| 8 |
+
"framework": 2.084938645362854,
|
| 9 |
+
"cdr_fw_aligned": 3.5135247707366943
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1752,
|
| 12 |
+
"num_gt_atoms": 1677,
|
| 13 |
+
"num_aligned_atoms": 1677,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9571917808219178,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "R",
|
| 21 |
+
"total": 2.1191773414611816,
|
| 22 |
+
"cdr": 0.9969882965087891,
|
| 23 |
+
"framework": 1.974059820175171,
|
| 24 |
+
"cdr_fw_aligned": 3.4876861572265625,
|
| 25 |
+
"cdr1": 0.3833658695220947,
|
| 26 |
+
"cdr2": 0.31595954298973083,
|
| 27 |
+
"cdr3": 1.1993526220321655,
|
| 28 |
+
"cdr1_fw_aligned": 3.7868096828460693,
|
| 29 |
+
"cdr2_fw_aligned": 3.442660331726074,
|
| 30 |
+
"cdr3_fw_aligned": 3.239455223083496,
|
| 31 |
+
"num_residues": 206,
|
| 32 |
+
"num_cdr_residues": 21
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "Q",
|
| 36 |
+
"total": 2.325305461883545,
|
| 37 |
+
"cdr": 0.5261037945747375,
|
| 38 |
+
"framework": 2.195817470550537,
|
| 39 |
+
"cdr_fw_aligned": 3.539363384246826,
|
| 40 |
+
"cdr1": 0.2466583251953125,
|
| 41 |
+
"cdr2": 0.22168409824371338,
|
| 42 |
+
"cdr3": 0.6317823529243469,
|
| 43 |
+
"cdr1_fw_aligned": 4.207233905792236,
|
| 44 |
+
"cdr2_fw_aligned": 3.550139904022217,
|
| 45 |
+
"cdr3_fw_aligned": 2.4787607192993164,
|
| 46 |
+
"num_residues": 214,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 896,
|
| 51 |
+
"num_gt_atoms": 821,
|
| 52 |
+
"num_aligned_atoms": 821
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 856,
|
| 56 |
+
"num_gt_atoms": 856,
|
| 57 |
+
"num_aligned_atoms": 856
|
| 58 |
+
}
|
| 59 |
+
}
|
3d9a_H_L_C_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "3d9a_H_L_C_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.801448941230774,
|
| 7 |
+
"cdr": 1.4123380184173584,
|
| 8 |
+
"framework": 1.5437657833099365,
|
| 9 |
+
"cdr_fw_aligned": 3.5078569650650024
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1692,
|
| 12 |
+
"num_gt_atoms": 1692,
|
| 13 |
+
"num_aligned_atoms": 1692,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 1.0,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.8793199062347412,
|
| 22 |
+
"cdr": 0.9870612621307373,
|
| 23 |
+
"framework": 1.754435420036316,
|
| 24 |
+
"cdr_fw_aligned": 3.10542631149292,
|
| 25 |
+
"cdr1": 1.1047706604003906,
|
| 26 |
+
"cdr2": 0.1482313722372055,
|
| 27 |
+
"cdr3": 0.36411046981811523,
|
| 28 |
+
"cdr1_fw_aligned": 3.517507553100586,
|
| 29 |
+
"cdr2_fw_aligned": 3.2838900089263916,
|
| 30 |
+
"cdr3_fw_aligned": 2.163912534713745,
|
| 31 |
+
"num_residues": 210,
|
| 32 |
+
"num_cdr_residues": 17
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 1.7235779762268066,
|
| 37 |
+
"cdr": 1.8376147747039795,
|
| 38 |
+
"framework": 1.3330961465835571,
|
| 39 |
+
"cdr_fw_aligned": 3.910287618637085,
|
| 40 |
+
"cdr1": 0.28889891505241394,
|
| 41 |
+
"cdr2": 0.41542884707450867,
|
| 42 |
+
"cdr3": 1.3971445560455322,
|
| 43 |
+
"cdr1_fw_aligned": 2.5064923763275146,
|
| 44 |
+
"cdr2_fw_aligned": 2.506812334060669,
|
| 45 |
+
"cdr3_fw_aligned": 5.771030902862549,
|
| 46 |
+
"num_residues": 213,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 840,
|
| 51 |
+
"num_gt_atoms": 840,
|
| 52 |
+
"num_aligned_atoms": 840
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 852,
|
| 56 |
+
"num_gt_atoms": 852,
|
| 57 |
+
"num_aligned_atoms": 852
|
| 58 |
+
}
|
| 59 |
+
}
|
3ldb_C_B_A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "3ldb_C_B_A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.8911026120185852,
|
| 7 |
+
"cdr": 3.4832666516304016,
|
| 8 |
+
"framework": 1.0197374820709229,
|
| 9 |
+
"cdr_fw_aligned": 4.3683507442474365
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1764,
|
| 12 |
+
"num_gt_atoms": 1708,
|
| 13 |
+
"num_aligned_atoms": 1708,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9682539682539683,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
+
"total": 1.260064721107483,
|
| 22 |
+
"cdr": 1.6895982027053833,
|
| 23 |
+
"framework": 1.0871503353118896,
|
| 24 |
+
"cdr_fw_aligned": 2.3759384155273438,
|
| 25 |
+
"cdr1": 2.0338051319122314,
|
| 26 |
+
"cdr2": 0.2595365643501282,
|
| 27 |
+
"cdr3": 1.0815222263336182,
|
| 28 |
+
"cdr1_fw_aligned": 2.8338980674743652,
|
| 29 |
+
"cdr2_fw_aligned": 1.0103919506072998,
|
| 30 |
+
"cdr3_fw_aligned": 2.5073962211608887,
|
| 31 |
+
"num_residues": 210,
|
| 32 |
+
"num_cdr_residues": 22
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "B",
|
| 36 |
+
"total": 2.5221405029296875,
|
| 37 |
+
"cdr": 5.27693510055542,
|
| 38 |
+
"framework": 0.952324628829956,
|
| 39 |
+
"cdr_fw_aligned": 6.360763072967529,
|
| 40 |
+
"cdr1": 4.836167335510254,
|
| 41 |
+
"cdr2": 0.24249501526355743,
|
| 42 |
+
"cdr3": 1.6969703435897827,
|
| 43 |
+
"cdr1_fw_aligned": 8.51424789428711,
|
| 44 |
+
"cdr2_fw_aligned": 1.5629687309265137,
|
| 45 |
+
"cdr3_fw_aligned": 3.085536479949951,
|
| 46 |
+
"num_residues": 217,
|
| 47 |
+
"num_cdr_residues": 33
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 884,
|
| 51 |
+
"num_gt_atoms": 840,
|
| 52 |
+
"num_aligned_atoms": 840
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 880,
|
| 56 |
+
"num_gt_atoms": 868,
|
| 57 |
+
"num_aligned_atoms": 868
|
| 58 |
+
}
|
| 59 |
+
}
|
3nif_E_F_C_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "3nif_E_F_C_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 2.8971595764160156,
|
| 7 |
+
"cdr": 1.7671972215175629,
|
| 8 |
+
"framework": 2.7320120334625244,
|
| 9 |
+
"cdr_fw_aligned": 4.397906184196472
|
| 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": 3.497072458267212,
|
| 22 |
+
"cdr": 2.566019058227539,
|
| 23 |
+
"framework": 3.3405356407165527,
|
| 24 |
+
"cdr_fw_aligned": 4.870543003082275,
|
| 25 |
+
"cdr1": 0.641433835029602,
|
| 26 |
+
"cdr2": 0.3293786942958832,
|
| 27 |
+
"cdr3": 1.9277466535568237,
|
| 28 |
+
"cdr1_fw_aligned": 5.0898261070251465,
|
| 29 |
+
"cdr2_fw_aligned": 4.825629234313965,
|
| 30 |
+
"cdr3_fw_aligned": 4.738609790802002,
|
| 31 |
+
"num_residues": 216,
|
| 32 |
+
"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "F",
|
| 36 |
+
"total": 2.2972466945648193,
|
| 37 |
+
"cdr": 0.9683753848075867,
|
| 38 |
+
"framework": 2.123488426208496,
|
| 39 |
+
"cdr_fw_aligned": 3.925269365310669,
|
| 40 |
+
"cdr1": 0.334866464138031,
|
| 41 |
+
"cdr2": 0.16522154211997986,
|
| 42 |
+
"cdr3": 1.0387588739395142,
|
| 43 |
+
"cdr1_fw_aligned": 3.8000707626342773,
|
| 44 |
+
"cdr2_fw_aligned": 2.838392734527588,
|
| 45 |
+
"cdr3_fw_aligned": 4.7230753898620605,
|
| 46 |
+
"num_residues": 214,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 884,
|
| 51 |
+
"num_gt_atoms": 864,
|
| 52 |
+
"num_aligned_atoms": 864
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 856,
|
| 56 |
+
"num_gt_atoms": 856,
|
| 57 |
+
"num_aligned_atoms": 856
|
| 58 |
+
}
|
| 59 |
+
}
|
3rvw_D_C_A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "3rvw_D_C_A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.42170912027359,
|
| 7 |
+
"cdr": 2.058103621006012,
|
| 8 |
+
"framework": 1.0586266815662384,
|
| 9 |
+
"cdr_fw_aligned": 3.1187236309051514
|
| 10 |
+
},
|
| 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": 1.8043599128723145,
|
| 22 |
+
"cdr": 2.574984550476074,
|
| 23 |
+
"framework": 1.372050404548645,
|
| 24 |
+
"cdr_fw_aligned": 3.857046365737915,
|
| 25 |
+
"cdr1": 1.0720044374465942,
|
| 26 |
+
"cdr2": 0.19337445497512817,
|
| 27 |
+
"cdr3": 2.648017168045044,
|
| 28 |
+
"cdr1_fw_aligned": 2.913912534713745,
|
| 29 |
+
"cdr2_fw_aligned": 1.7692419290542603,
|
| 30 |
+
"cdr3_fw_aligned": 4.901888370513916,
|
| 31 |
+
"num_residues": 218,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "C",
|
| 36 |
+
"total": 1.0390583276748657,
|
| 37 |
+
"cdr": 1.5412226915359497,
|
| 38 |
+
"framework": 0.7452029585838318,
|
| 39 |
+
"cdr_fw_aligned": 2.3804008960723877,
|
| 40 |
+
"cdr1": 0.50367671251297,
|
| 41 |
+
"cdr2": 0.2122485339641571,
|
| 42 |
+
"cdr3": 1.6167900562286377,
|
| 43 |
+
"cdr1_fw_aligned": 1.0511304140090942,
|
| 44 |
+
"cdr2_fw_aligned": 0.9768756628036499,
|
| 45 |
+
"cdr3_fw_aligned": 3.860870122909546,
|
| 46 |
+
"num_residues": 211,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"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 |
+
}
|
4ffz_Z_Y_X_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "4ffz_Z_Y_X_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.3430522680282593,
|
| 7 |
+
"cdr": 1.4014722108840942,
|
| 8 |
+
"framework": 1.1924591660499573,
|
| 9 |
+
"cdr_fw_aligned": 2.2579240798950195
|
| 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": "Z",
|
| 21 |
+
"total": 1.4251437187194824,
|
| 22 |
+
"cdr": 0.9594689607620239,
|
| 23 |
+
"framework": 1.3257229328155518,
|
| 24 |
+
"cdr_fw_aligned": 2.371919870376587,
|
| 25 |
+
"cdr1": 0.3477025628089905,
|
| 26 |
+
"cdr2": 0.24329979717731476,
|
| 27 |
+
"cdr3": 1.1412652730941772,
|
| 28 |
+
"cdr1_fw_aligned": 2.475889205932617,
|
| 29 |
+
"cdr2_fw_aligned": 2.252077579498291,
|
| 30 |
+
"cdr3_fw_aligned": 2.3671486377716064,
|
| 31 |
+
"num_residues": 217,
|
| 32 |
+
"num_cdr_residues": 22
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "Y",
|
| 36 |
+
"total": 1.2609608173370361,
|
| 37 |
+
"cdr": 1.8434754610061646,
|
| 38 |
+
"framework": 1.0591953992843628,
|
| 39 |
+
"cdr_fw_aligned": 2.143928289413452,
|
| 40 |
+
"cdr1": 1.6272914409637451,
|
| 41 |
+
"cdr2": 0.21003969013690948,
|
| 42 |
+
"cdr3": 1.4297434091567993,
|
| 43 |
+
"cdr1_fw_aligned": 2.5115394592285156,
|
| 44 |
+
"cdr2_fw_aligned": 1.2487963438034058,
|
| 45 |
+
"cdr3_fw_aligned": 2.026379346847534,
|
| 46 |
+
"num_residues": 216,
|
| 47 |
+
"num_cdr_residues": 31
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 868,
|
| 51 |
+
"num_gt_atoms": 868,
|
| 52 |
+
"num_aligned_atoms": 868
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 864,
|
| 56 |
+
"num_gt_atoms": 864,
|
| 57 |
+
"num_aligned_atoms": 864
|
| 58 |
+
}
|
| 59 |
+
}
|
4jlr_H_L_S_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "4jlr_H_L_S_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 0.970203310251236,
|
| 7 |
+
"cdr": 1.746018886566162,
|
| 8 |
+
"framework": 0.7039763033390045,
|
| 9 |
+
"cdr_fw_aligned": 2.120944321155548
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1752,
|
| 12 |
+
"num_gt_atoms": 1700,
|
| 13 |
+
"num_aligned_atoms": 1700,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9703196347031964,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.20521080493927,
|
| 22 |
+
"cdr": 2.2448835372924805,
|
| 23 |
+
"framework": 0.7937597632408142,
|
| 24 |
+
"cdr_fw_aligned": 2.9312679767608643,
|
| 25 |
+
"cdr1": 2.099752902984619,
|
| 26 |
+
"cdr2": 0.10614323616027832,
|
| 27 |
+
"cdr3": 0.8760904669761658,
|
| 28 |
+
"cdr1_fw_aligned": 4.207747459411621,
|
| 29 |
+
"cdr2_fw_aligned": 0.7806359529495239,
|
| 30 |
+
"cdr3_fw_aligned": 2.0933825969696045,
|
| 31 |
+
"num_residues": 215,
|
| 32 |
+
"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 0.7351958155632019,
|
| 37 |
+
"cdr": 1.2471542358398438,
|
| 38 |
+
"framework": 0.6141928434371948,
|
| 39 |
+
"cdr_fw_aligned": 1.310620665550232,
|
| 40 |
+
"cdr1": 0.5135117173194885,
|
| 41 |
+
"cdr2": 0.22016535699367523,
|
| 42 |
+
"cdr3": 1.12234628200531,
|
| 43 |
+
"cdr1_fw_aligned": 0.9761458039283752,
|
| 44 |
+
"cdr2_fw_aligned": 0.9317076206207275,
|
| 45 |
+
"cdr3_fw_aligned": 1.7967729568481445,
|
| 46 |
+
"num_residues": 210,
|
| 47 |
+
"num_cdr_residues": 26
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 900,
|
| 51 |
+
"num_gt_atoms": 860,
|
| 52 |
+
"num_aligned_atoms": 860
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 852,
|
| 56 |
+
"num_gt_atoms": 840,
|
| 57 |
+
"num_aligned_atoms": 840
|
| 58 |
+
}
|
| 59 |
+
}
|
4kkl_C_D_A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "4kkl_C_D_A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 2.8856465816497803,
|
| 7 |
+
"cdr": 1.6966773867607117,
|
| 8 |
+
"framework": 2.6832967400550842,
|
| 9 |
+
"cdr_fw_aligned": 4.505483508110046
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1732,
|
| 12 |
+
"num_gt_atoms": 1728,
|
| 13 |
+
"num_aligned_atoms": 1728,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9976905311778291,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
+
"total": 3.5692968368530273,
|
| 22 |
+
"cdr": 1.991010069847107,
|
| 23 |
+
"framework": 3.367011070251465,
|
| 24 |
+
"cdr_fw_aligned": 5.327974796295166,
|
| 25 |
+
"cdr1": 0.9168047904968262,
|
| 26 |
+
"cdr2": 0.3356495201587677,
|
| 27 |
+
"cdr3": 1.7717519998550415,
|
| 28 |
+
"cdr1_fw_aligned": 6.985500335693359,
|
| 29 |
+
"cdr2_fw_aligned": 5.538783550262451,
|
| 30 |
+
"cdr3_fw_aligned": 3.9161417484283447,
|
| 31 |
+
"num_residues": 221,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "D",
|
| 36 |
+
"total": 2.201996326446533,
|
| 37 |
+
"cdr": 1.4023447036743164,
|
| 38 |
+
"framework": 1.9995824098587036,
|
| 39 |
+
"cdr_fw_aligned": 3.6829922199249268,
|
| 40 |
+
"cdr1": 1.0586998462677002,
|
| 41 |
+
"cdr2": 0.3177470862865448,
|
| 42 |
+
"cdr3": 1.6181447505950928,
|
| 43 |
+
"cdr1_fw_aligned": 3.644160747528076,
|
| 44 |
+
"cdr2_fw_aligned": 2.850698232650757,
|
| 45 |
+
"cdr3_fw_aligned": 4.255604267120361,
|
| 46 |
+
"num_residues": 211,
|
| 47 |
+
"num_cdr_residues": 26
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 888,
|
| 51 |
+
"num_gt_atoms": 884,
|
| 52 |
+
"num_aligned_atoms": 884
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 844,
|
| 56 |
+
"num_gt_atoms": 844,
|
| 57 |
+
"num_aligned_atoms": 844
|
| 58 |
+
}
|
| 59 |
+
}
|
4msw_A_B_C_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "4msw_A_B_C_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.65825754404068,
|
| 7 |
+
"cdr": 1.390000969171524,
|
| 8 |
+
"framework": 1.5483869314193726,
|
| 9 |
+
"cdr_fw_aligned": 2.5956448316574097
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1724,
|
| 12 |
+
"num_gt_atoms": 1724,
|
| 13 |
+
"num_aligned_atoms": 1724,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 1.0,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "A",
|
| 21 |
+
"total": 1.7754112482070923,
|
| 22 |
+
"cdr": 2.05678129196167,
|
| 23 |
+
"framework": 1.6324862241744995,
|
| 24 |
+
"cdr_fw_aligned": 2.9059977531433105,
|
| 25 |
+
"cdr1": 1.7092573642730713,
|
| 26 |
+
"cdr2": 0.3639771044254303,
|
| 27 |
+
"cdr3": 1.2922556400299072,
|
| 28 |
+
"cdr1_fw_aligned": 3.4516468048095703,
|
| 29 |
+
"cdr2_fw_aligned": 2.636106491088867,
|
| 30 |
+
"cdr3_fw_aligned": 2.596895933151245,
|
| 31 |
+
"num_residues": 219,
|
| 32 |
+
"num_cdr_residues": 22
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "B",
|
| 36 |
+
"total": 1.5411038398742676,
|
| 37 |
+
"cdr": 0.7232206463813782,
|
| 38 |
+
"framework": 1.4642876386642456,
|
| 39 |
+
"cdr_fw_aligned": 2.285291910171509,
|
| 40 |
+
"cdr1": 0.3251188397407532,
|
| 41 |
+
"cdr2": 0.37178653478622437,
|
| 42 |
+
"cdr3": 0.8596698045730591,
|
| 43 |
+
"cdr1_fw_aligned": 2.5733237266540527,
|
| 44 |
+
"cdr2_fw_aligned": 2.14772891998291,
|
| 45 |
+
"cdr3_fw_aligned": 1.9965776205062866,
|
| 46 |
+
"num_residues": 212,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 876,
|
| 51 |
+
"num_gt_atoms": 876,
|
| 52 |
+
"num_aligned_atoms": 876
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 848,
|
| 56 |
+
"num_gt_atoms": 848,
|
| 57 |
+
"num_aligned_atoms": 848
|
| 58 |
+
}
|
| 59 |
+
}
|
4nik_B_b_A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "4nik_B_b_A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.6205641031265259,
|
| 7 |
+
"cdr": 2.3066272139549255,
|
| 8 |
+
"framework": 1.4490941762924194,
|
| 9 |
+
"cdr_fw_aligned": 2.4310505390167236
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 2048,
|
| 12 |
+
"num_gt_atoms": 1824,
|
| 13 |
+
"num_aligned_atoms": 1824,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.890625,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
+
"total": 1.6205641031265259,
|
| 22 |
+
"cdr": 1.7818275690078735,
|
| 23 |
+
"framework": 1.5807197093963623,
|
| 24 |
+
"cdr_fw_aligned": 1.9794087409973145,
|
| 25 |
+
"cdr1": 0.25811702013015747,
|
| 26 |
+
"cdr2": 0.20352047681808472,
|
| 27 |
+
"cdr3": 1.844114899635315,
|
| 28 |
+
"cdr1_fw_aligned": 0.9003011584281921,
|
| 29 |
+
"cdr2_fw_aligned": 1.2431666851043701,
|
| 30 |
+
"cdr3_fw_aligned": 2.9011335372924805,
|
| 31 |
+
"num_residues": 228,
|
| 32 |
+
"num_cdr_residues": 21
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "B",
|
| 36 |
+
"total": 1.6205641031265259,
|
| 37 |
+
"cdr": 2.8314268589019775,
|
| 38 |
+
"framework": 1.3174686431884766,
|
| 39 |
+
"cdr_fw_aligned": 2.882692337036133,
|
| 40 |
+
"cdr1": 2.953047752380371,
|
| 41 |
+
"cdr2": 0.29337355494499207,
|
| 42 |
+
"cdr3": 1.5996205806732178,
|
| 43 |
+
"cdr1_fw_aligned": 3.639899492263794,
|
| 44 |
+
"cdr2_fw_aligned": 1.5160717964172363,
|
| 45 |
+
"cdr3_fw_aligned": 2.367149829864502,
|
| 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 |
+
"num_pred_atoms": 1024,
|
| 56 |
+
"num_gt_atoms": 912,
|
| 57 |
+
"num_aligned_atoms": 912
|
| 58 |
+
}
|
| 59 |
+
}
|
4om1_H_L_G_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "4om1_H_L_G_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 3.6903138160705566,
|
| 7 |
+
"cdr": 2.2955733239650726,
|
| 8 |
+
"framework": 3.5633270740509033,
|
| 9 |
+
"cdr_fw_aligned": 4.8150633573532104
|
| 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": 4.272246837615967,
|
| 22 |
+
"cdr": 3.7145276069641113,
|
| 23 |
+
"framework": 4.069221019744873,
|
| 24 |
+
"cdr_fw_aligned": 5.733260631561279,
|
| 25 |
+
"cdr1": 0.5894315242767334,
|
| 26 |
+
"cdr2": 1.8574414253234863,
|
| 27 |
+
"cdr3": 2.3275725841522217,
|
| 28 |
+
"cdr1_fw_aligned": 7.838730812072754,
|
| 29 |
+
"cdr2_fw_aligned": 5.221523284912109,
|
| 30 |
+
"cdr3_fw_aligned": 4.740337371826172,
|
| 31 |
+
"num_residues": 228,
|
| 32 |
+
"num_cdr_residues": 29
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 3.1083807945251465,
|
| 37 |
+
"cdr": 0.8766190409660339,
|
| 38 |
+
"framework": 3.0574331283569336,
|
| 39 |
+
"cdr_fw_aligned": 3.8968660831451416,
|
| 40 |
+
"cdr1": 0.46270930767059326,
|
| 41 |
+
"cdr2": 0.25382092595100403,
|
| 42 |
+
"cdr3": 0.9493474960327148,
|
| 43 |
+
"cdr1_fw_aligned": 3.981898784637451,
|
| 44 |
+
"cdr2_fw_aligned": 4.738686561584473,
|
| 45 |
+
"cdr3_fw_aligned": 1.9499353170394897,
|
| 46 |
+
"num_residues": 210,
|
| 47 |
+
"num_cdr_residues": 21
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"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 |
+
}
|
4ps4_H_L_A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "4ps4_H_L_A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 3.0192097425460815,
|
| 7 |
+
"cdr": 1.7625417709350586,
|
| 8 |
+
"framework": 2.776136636734009,
|
| 9 |
+
"cdr_fw_aligned": 5.015103340148926
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1764,
|
| 12 |
+
"num_gt_atoms": 1744,
|
| 13 |
+
"num_aligned_atoms": 1744,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9886621315192744,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 3.2659037113189697,
|
| 22 |
+
"cdr": 2.5878796577453613,
|
| 23 |
+
"framework": 2.9366955757141113,
|
| 24 |
+
"cdr_fw_aligned": 5.76300573348999,
|
| 25 |
+
"cdr1": 0.6711235642433167,
|
| 26 |
+
"cdr2": 0.23196358978748322,
|
| 27 |
+
"cdr3": 3.0042359828948975,
|
| 28 |
+
"cdr1_fw_aligned": 5.225100040435791,
|
| 29 |
+
"cdr2_fw_aligned": 4.664059638977051,
|
| 30 |
+
"cdr3_fw_aligned": 6.576981544494629,
|
| 31 |
+
"num_residues": 223,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 2.7725157737731934,
|
| 37 |
+
"cdr": 0.9372038841247559,
|
| 38 |
+
"framework": 2.6155776977539062,
|
| 39 |
+
"cdr_fw_aligned": 4.267200946807861,
|
| 40 |
+
"cdr1": 0.36908742785453796,
|
| 41 |
+
"cdr2": 0.3124934136867523,
|
| 42 |
+
"cdr3": 1.372727394104004,
|
| 43 |
+
"cdr1_fw_aligned": 4.9778032302856445,
|
| 44 |
+
"cdr2_fw_aligned": 3.477189779281616,
|
| 45 |
+
"cdr3_fw_aligned": 3.8117012977600098,
|
| 46 |
+
"num_residues": 213,
|
| 47 |
+
"num_cdr_residues": 26
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 912,
|
| 51 |
+
"num_gt_atoms": 892,
|
| 52 |
+
"num_aligned_atoms": 892
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 852,
|
| 56 |
+
"num_gt_atoms": 852,
|
| 57 |
+
"num_aligned_atoms": 852
|
| 58 |
+
}
|
| 59 |
+
}
|
4u1g_E_F_D_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "4u1g_E_F_D_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 2.2753894329071045,
|
| 7 |
+
"cdr": 2.729873538017273,
|
| 8 |
+
"framework": 1.874751627445221,
|
| 9 |
+
"cdr_fw_aligned": 4.331233024597168
|
| 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": 2.7591745853424072,
|
| 22 |
+
"cdr": 2.820478677749634,
|
| 23 |
+
"framework": 2.342949390411377,
|
| 24 |
+
"cdr_fw_aligned": 5.110297679901123,
|
| 25 |
+
"cdr1": 0.376016229391098,
|
| 26 |
+
"cdr2": 0.3125045895576477,
|
| 27 |
+
"cdr3": 2.6960229873657227,
|
| 28 |
+
"cdr1_fw_aligned": 4.541275501251221,
|
| 29 |
+
"cdr2_fw_aligned": 3.817350149154663,
|
| 30 |
+
"cdr3_fw_aligned": 5.8651275634765625,
|
| 31 |
+
"num_residues": 213,
|
| 32 |
+
"num_cdr_residues": 26
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "F",
|
| 36 |
+
"total": 1.7916042804718018,
|
| 37 |
+
"cdr": 2.639268398284912,
|
| 38 |
+
"framework": 1.406553864479065,
|
| 39 |
+
"cdr_fw_aligned": 3.552168369293213,
|
| 40 |
+
"cdr1": 2.8391997814178467,
|
| 41 |
+
"cdr2": 0.9487738013267517,
|
| 42 |
+
"cdr3": 1.3159548044204712,
|
| 43 |
+
"cdr1_fw_aligned": 3.7884624004364014,
|
| 44 |
+
"cdr2_fw_aligned": 2.3441853523254395,
|
| 45 |
+
"cdr3_fw_aligned": 3.9072582721710205,
|
| 46 |
+
"num_residues": 215,
|
| 47 |
+
"num_cdr_residues": 31
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 1032,
|
| 51 |
+
"num_gt_atoms": 852,
|
| 52 |
+
"num_aligned_atoms": 852
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 952,
|
| 56 |
+
"num_gt_atoms": 860,
|
| 57 |
+
"num_aligned_atoms": 860
|
| 58 |
+
}
|
| 59 |
+
}
|
4xt1_C__A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "4xt1_C__A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.5831302404403687,
|
| 7 |
+
"cdr": 3.0471866130828857,
|
| 8 |
+
"framework": 0.8369590640068054,
|
| 9 |
+
"cdr_fw_aligned": 3.266983985900879
|
| 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": 1.5831302404403687,
|
| 22 |
+
"cdr": 3.0471866130828857,
|
| 23 |
+
"framework": 0.8369590640068054,
|
| 24 |
+
"cdr_fw_aligned": 3.266983985900879,
|
| 25 |
+
"cdr1": 2.0787220001220703,
|
| 26 |
+
"cdr2": 0.38288766145706177,
|
| 27 |
+
"cdr3": 2.3319249153137207,
|
| 28 |
+
"cdr1_fw_aligned": 4.374297142028809,
|
| 29 |
+
"cdr2_fw_aligned": 1.175492286682129,
|
| 30 |
+
"cdr3_fw_aligned": 3.0652778148651123,
|
| 31 |
+
"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_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "4y5y_D_E_F_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.5131122469902039,
|
| 7 |
+
"cdr": 1.38654825091362,
|
| 8 |
+
"framework": 1.3137854933738708,
|
| 9 |
+
"cdr_fw_aligned": 2.005387783050537
|
| 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": 1.5517518520355225,
|
| 22 |
+
"cdr": 0.9475281834602356,
|
| 23 |
+
"framework": 1.5565425157546997,
|
| 24 |
+
"cdr_fw_aligned": 1.7109901905059814,
|
| 25 |
+
"cdr1": 0.5597158074378967,
|
| 26 |
+
"cdr2": 0.22663593292236328,
|
| 27 |
+
"cdr3": 0.920862078666687,
|
| 28 |
+
"cdr1_fw_aligned": 1.619454264640808,
|
| 29 |
+
"cdr2_fw_aligned": 0.7597332000732422,
|
| 30 |
+
"cdr3_fw_aligned": 2.106290102005005,
|
| 31 |
+
"num_residues": 117,
|
| 32 |
+
"num_cdr_residues": 22
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "E",
|
| 36 |
+
"total": 1.4744726419448853,
|
| 37 |
+
"cdr": 1.8255683183670044,
|
| 38 |
+
"framework": 1.071028470993042,
|
| 39 |
+
"cdr_fw_aligned": 2.2997853755950928,
|
| 40 |
+
"cdr1": 1.7930524349212646,
|
| 41 |
+
"cdr2": 0.3590869903564453,
|
| 42 |
+
"cdr3": 1.8926808834075928,
|
| 43 |
+
"cdr1_fw_aligned": 2.622731924057007,
|
| 44 |
+
"cdr2_fw_aligned": 0.6199729442596436,
|
| 45 |
+
"cdr3_fw_aligned": 2.5272328853607178,
|
| 46 |
+
"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 |
+
"num_pred_atoms": 468,
|
| 56 |
+
"num_gt_atoms": 448,
|
| 57 |
+
"num_aligned_atoms": 448
|
| 58 |
+
}
|
| 59 |
+
}
|
4y5y_D_E_F_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "4y5y_D_E_F_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.6431692838668823,
|
| 7 |
+
"cdr": 1.7552551329135895,
|
| 8 |
+
"framework": 1.1712296605110168,
|
| 9 |
+
"cdr_fw_aligned": 2.0727714896202087
|
| 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": 1.5920140743255615,
|
| 22 |
+
"cdr": 0.5810950398445129,
|
| 23 |
+
"framework": 1.6862690448760986,
|
| 24 |
+
"cdr_fw_aligned": 1.1397567987442017,
|
| 25 |
+
"cdr1": 0.6102880239486694,
|
| 26 |
+
"cdr2": 0.26637980341911316,
|
| 27 |
+
"cdr3": 0.27885720133781433,
|
| 28 |
+
"cdr1_fw_aligned": 1.310391902923584,
|
| 29 |
+
"cdr2_fw_aligned": 0.5101630091667175,
|
| 30 |
+
"cdr3_fw_aligned": 1.2638933658599854,
|
| 31 |
+
"num_residues": 117,
|
| 32 |
+
"num_cdr_residues": 22
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "E",
|
| 36 |
+
"total": 1.6943244934082031,
|
| 37 |
+
"cdr": 2.929415225982666,
|
| 38 |
+
"framework": 0.6561902761459351,
|
| 39 |
+
"cdr_fw_aligned": 3.005786180496216,
|
| 40 |
+
"cdr1": 3.3352136611938477,
|
| 41 |
+
"cdr2": 0.3827366828918457,
|
| 42 |
+
"cdr3": 1.9818979501724243,
|
| 43 |
+
"cdr1_fw_aligned": 3.7230613231658936,
|
| 44 |
+
"cdr2_fw_aligned": 0.48627421259880066,
|
| 45 |
+
"cdr3_fw_aligned": 2.9139208793640137,
|
| 46 |
+
"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 |
+
"num_pred_atoms": 468,
|
| 56 |
+
"num_gt_atoms": 448,
|
| 57 |
+
"num_aligned_atoms": 448
|
| 58 |
+
}
|
| 59 |
+
}
|
5bjz_D_H_B_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "5bjz_D_H_B_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 4.1577324867248535,
|
| 7 |
+
"cdr": 2.822950541973114,
|
| 8 |
+
"framework": 3.724445104598999,
|
| 9 |
+
"cdr_fw_aligned": 7.273362398147583
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1816,
|
| 12 |
+
"num_gt_atoms": 1776,
|
| 13 |
+
"num_aligned_atoms": 1776,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9779735682819384,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "D",
|
| 21 |
+
"total": 4.453342914581299,
|
| 22 |
+
"cdr": 3.655134916305542,
|
| 23 |
+
"framework": 4.053152561187744,
|
| 24 |
+
"cdr_fw_aligned": 7.252022743225098,
|
| 25 |
+
"cdr1": 0.5018481016159058,
|
| 26 |
+
"cdr2": 1.3903394937515259,
|
| 27 |
+
"cdr3": 3.3916640281677246,
|
| 28 |
+
"cdr1_fw_aligned": 6.79665470123291,
|
| 29 |
+
"cdr2_fw_aligned": 8.788444519042969,
|
| 30 |
+
"cdr3_fw_aligned": 6.845791816711426,
|
| 31 |
+
"num_residues": 231,
|
| 32 |
+
"num_cdr_residues": 31
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "H",
|
| 36 |
+
"total": 3.862122058868408,
|
| 37 |
+
"cdr": 1.990766167640686,
|
| 38 |
+
"framework": 3.395737648010254,
|
| 39 |
+
"cdr_fw_aligned": 7.294702053070068,
|
| 40 |
+
"cdr1": 1.5479285717010498,
|
| 41 |
+
"cdr2": 0.14145740866661072,
|
| 42 |
+
"cdr3": 1.4749817848205566,
|
| 43 |
+
"cdr1_fw_aligned": 7.957367897033691,
|
| 44 |
+
"cdr2_fw_aligned": 5.6997599601745605,
|
| 45 |
+
"cdr3_fw_aligned": 7.50295352935791,
|
| 46 |
+
"num_residues": 213,
|
| 47 |
+
"num_cdr_residues": 29
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 952,
|
| 51 |
+
"num_gt_atoms": 924,
|
| 52 |
+
"num_aligned_atoms": 924
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 864,
|
| 56 |
+
"num_gt_atoms": 852,
|
| 57 |
+
"num_aligned_atoms": 852
|
| 58 |
+
}
|
| 59 |
+
}
|
5bv7_C_B_A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "5bv7_C_B_A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 6.513800859451294,
|
| 7 |
+
"cdr": 2.7364665269851685,
|
| 8 |
+
"framework": 5.979893684387207,
|
| 9 |
+
"cdr_fw_aligned": 10.755942821502686
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1804,
|
| 12 |
+
"num_gt_atoms": 1728,
|
| 13 |
+
"num_aligned_atoms": 1728,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9578713968957872,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
+
"total": 6.486608982086182,
|
| 22 |
+
"cdr": 3.168914556503296,
|
| 23 |
+
"framework": 6.073742389678955,
|
| 24 |
+
"cdr_fw_aligned": 10.056402206420898,
|
| 25 |
+
"cdr1": 0.5698909163475037,
|
| 26 |
+
"cdr2": 0.5729194283485413,
|
| 27 |
+
"cdr3": 2.9035515785217285,
|
| 28 |
+
"cdr1_fw_aligned": 10.275469779968262,
|
| 29 |
+
"cdr2_fw_aligned": 9.172405242919922,
|
| 30 |
+
"cdr3_fw_aligned": 10.261408805847168,
|
| 31 |
+
"num_residues": 220,
|
| 32 |
+
"num_cdr_residues": 30
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "B",
|
| 36 |
+
"total": 6.540992736816406,
|
| 37 |
+
"cdr": 2.304018497467041,
|
| 38 |
+
"framework": 5.886044979095459,
|
| 39 |
+
"cdr_fw_aligned": 11.455483436584473,
|
| 40 |
+
"cdr1": 1.780011534690857,
|
| 41 |
+
"cdr2": 0.6444559693336487,
|
| 42 |
+
"cdr3": 2.5392708778381348,
|
| 43 |
+
"cdr1_fw_aligned": 13.201908111572266,
|
| 44 |
+
"cdr2_fw_aligned": 8.526822090148926,
|
| 45 |
+
"cdr3_fw_aligned": 11.172493934631348,
|
| 46 |
+
"num_residues": 212,
|
| 47 |
+
"num_cdr_residues": 28
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 952,
|
| 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 |
+
}
|
5cd5_C_D_A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "5cd5_C_D_A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 4.162827968597412,
|
| 7 |
+
"cdr": 2.0764485597610474,
|
| 8 |
+
"framework": 3.927191376686096,
|
| 9 |
+
"cdr_fw_aligned": 6.376858234405518
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1720,
|
| 12 |
+
"num_gt_atoms": 1708,
|
| 13 |
+
"num_aligned_atoms": 1708,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9930232558139535,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
+
"total": 4.894303321838379,
|
| 22 |
+
"cdr": 2.8843164443969727,
|
| 23 |
+
"framework": 4.701442718505859,
|
| 24 |
+
"cdr_fw_aligned": 6.75452995300293,
|
| 25 |
+
"cdr1": 0.4581434428691864,
|
| 26 |
+
"cdr2": 0.2848134934902191,
|
| 27 |
+
"cdr3": 2.3676319122314453,
|
| 28 |
+
"cdr1_fw_aligned": 7.487201690673828,
|
| 29 |
+
"cdr2_fw_aligned": 7.463020324707031,
|
| 30 |
+
"cdr3_fw_aligned": 5.786994457244873,
|
| 31 |
+
"num_residues": 220,
|
| 32 |
+
"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "D",
|
| 36 |
+
"total": 3.4313526153564453,
|
| 37 |
+
"cdr": 1.268580675125122,
|
| 38 |
+
"framework": 3.152940034866333,
|
| 39 |
+
"cdr_fw_aligned": 5.9991865158081055,
|
| 40 |
+
"cdr1": 1.6075814962387085,
|
| 41 |
+
"cdr2": 0.22416827082633972,
|
| 42 |
+
"cdr3": 0.38940322399139404,
|
| 43 |
+
"cdr1_fw_aligned": 7.02453088760376,
|
| 44 |
+
"cdr2_fw_aligned": 4.576633453369141,
|
| 45 |
+
"cdr3_fw_aligned": 5.260652542114258,
|
| 46 |
+
"num_residues": 207,
|
| 47 |
+
"num_cdr_residues": 23
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 880,
|
| 51 |
+
"num_gt_atoms": 880,
|
| 52 |
+
"num_aligned_atoms": 880
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 840,
|
| 56 |
+
"num_gt_atoms": 828,
|
| 57 |
+
"num_aligned_atoms": 828
|
| 58 |
+
}
|
| 59 |
+
}
|
5cd5_C_D_A_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "5cd5_C_D_A_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 4.602026462554932,
|
| 7 |
+
"cdr": 2.330305576324463,
|
| 8 |
+
"framework": 4.311526417732239,
|
| 9 |
+
"cdr_fw_aligned": 7.221679925918579
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1720,
|
| 12 |
+
"num_gt_atoms": 1708,
|
| 13 |
+
"num_aligned_atoms": 1708,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9930232558139535,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
+
"total": 5.184886932373047,
|
| 22 |
+
"cdr": 3.397831439971924,
|
| 23 |
+
"framework": 4.911501884460449,
|
| 24 |
+
"cdr_fw_aligned": 7.533883571624756,
|
| 25 |
+
"cdr1": 0.5200678110122681,
|
| 26 |
+
"cdr2": 0.3352774381637573,
|
| 27 |
+
"cdr3": 2.2321386337280273,
|
| 28 |
+
"cdr1_fw_aligned": 8.698549270629883,
|
| 29 |
+
"cdr2_fw_aligned": 8.126517295837402,
|
| 30 |
+
"cdr3_fw_aligned": 6.298127174377441,
|
| 31 |
+
"num_residues": 220,
|
| 32 |
+
"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "D",
|
| 36 |
+
"total": 4.019165992736816,
|
| 37 |
+
"cdr": 1.262779712677002,
|
| 38 |
+
"framework": 3.7115509510040283,
|
| 39 |
+
"cdr_fw_aligned": 6.909476280212402,
|
| 40 |
+
"cdr1": 1.5728168487548828,
|
| 41 |
+
"cdr2": 0.24125158786773682,
|
| 42 |
+
"cdr3": 0.4010094404220581,
|
| 43 |
+
"cdr1_fw_aligned": 8.269373893737793,
|
| 44 |
+
"cdr2_fw_aligned": 5.178120136260986,
|
| 45 |
+
"cdr3_fw_aligned": 5.623873710632324,
|
| 46 |
+
"num_residues": 207,
|
| 47 |
+
"num_cdr_residues": 23
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 880,
|
| 51 |
+
"num_gt_atoms": 880,
|
| 52 |
+
"num_aligned_atoms": 880
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 840,
|
| 56 |
+
"num_gt_atoms": 828,
|
| 57 |
+
"num_aligned_atoms": 828
|
| 58 |
+
}
|
| 59 |
+
}
|
5e94_B_A_G_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "5e94_B_A_G_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 3.558217167854309,
|
| 7 |
+
"cdr": 1.4983758181333542,
|
| 8 |
+
"framework": 3.301323890686035,
|
| 9 |
+
"cdr_fw_aligned": 5.797843933105469
|
| 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": "B",
|
| 21 |
+
"total": 4.071402549743652,
|
| 22 |
+
"cdr": 2.55837082862854,
|
| 23 |
+
"framework": 3.7051286697387695,
|
| 24 |
+
"cdr_fw_aligned": 6.986469745635986,
|
| 25 |
+
"cdr1": 0.7446038722991943,
|
| 26 |
+
"cdr2": 0.2711876630783081,
|
| 27 |
+
"cdr3": 2.1161201000213623,
|
| 28 |
+
"cdr1_fw_aligned": 7.513326168060303,
|
| 29 |
+
"cdr2_fw_aligned": 4.764014720916748,
|
| 30 |
+
"cdr3_fw_aligned": 7.332957744598389,
|
| 31 |
+
"num_residues": 224,
|
| 32 |
+
"num_cdr_residues": 27
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "A",
|
| 36 |
+
"total": 3.045031785964966,
|
| 37 |
+
"cdr": 0.43838080763816833,
|
| 38 |
+
"framework": 2.897519111633301,
|
| 39 |
+
"cdr_fw_aligned": 4.609218120574951,
|
| 40 |
+
"cdr1": 0.2417362779378891,
|
| 41 |
+
"cdr2": 0.2572246193885803,
|
| 42 |
+
"cdr3": 0.5311992168426514,
|
| 43 |
+
"cdr1_fw_aligned": 5.377292633056641,
|
| 44 |
+
"cdr2_fw_aligned": 4.61474609375,
|
| 45 |
+
"cdr3_fw_aligned": 3.439518451690674,
|
| 46 |
+
"num_residues": 214,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 896,
|
| 51 |
+
"num_gt_atoms": 896,
|
| 52 |
+
"num_aligned_atoms": 896
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 856,
|
| 56 |
+
"num_gt_atoms": 856,
|
| 57 |
+
"num_aligned_atoms": 856
|
| 58 |
+
}
|
| 59 |
+
}
|
5hd8_C_D_A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "5hd8_C_D_A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.1185388565063477,
|
| 7 |
+
"cdr": 1.6796748638153076,
|
| 8 |
+
"framework": 0.906228095293045,
|
| 9 |
+
"cdr_fw_aligned": 2.1897414922714233
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1732,
|
| 12 |
+
"num_gt_atoms": 1728,
|
| 13 |
+
"num_aligned_atoms": 1728,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9976905311778291,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
+
"total": 1.325213074684143,
|
| 22 |
+
"cdr": 1.8234267234802246,
|
| 23 |
+
"framework": 1.1528228521347046,
|
| 24 |
+
"cdr_fw_aligned": 2.370971202850342,
|
| 25 |
+
"cdr1": 0.9168470501899719,
|
| 26 |
+
"cdr2": 0.37781643867492676,
|
| 27 |
+
"cdr3": 1.896358609199524,
|
| 28 |
+
"cdr1_fw_aligned": 2.0823585987091064,
|
| 29 |
+
"cdr2_fw_aligned": 1.3444281816482544,
|
| 30 |
+
"cdr3_fw_aligned": 2.877199172973633,
|
| 31 |
+
"num_residues": 221,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "D",
|
| 36 |
+
"total": 0.9118646383285522,
|
| 37 |
+
"cdr": 1.5359230041503906,
|
| 38 |
+
"framework": 0.6596333384513855,
|
| 39 |
+
"cdr_fw_aligned": 2.008511781692505,
|
| 40 |
+
"cdr1": 0.891515851020813,
|
| 41 |
+
"cdr2": 0.29668349027633667,
|
| 42 |
+
"cdr3": 1.6348074674606323,
|
| 43 |
+
"cdr1_fw_aligned": 1.0019211769104004,
|
| 44 |
+
"cdr2_fw_aligned": 1.0057179927825928,
|
| 45 |
+
"cdr3_fw_aligned": 3.122831106185913,
|
| 46 |
+
"num_residues": 211,
|
| 47 |
+
"num_cdr_residues": 26
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 888,
|
| 51 |
+
"num_gt_atoms": 884,
|
| 52 |
+
"num_aligned_atoms": 884
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 844,
|
| 56 |
+
"num_gt_atoms": 844,
|
| 57 |
+
"num_aligned_atoms": 844
|
| 58 |
+
}
|
| 59 |
+
}
|
5i74_B_C_A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "5i74_B_C_A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 2.184845447540283,
|
| 7 |
+
"cdr": 1.0327251553535461,
|
| 8 |
+
"framework": 2.0709877610206604,
|
| 9 |
+
"cdr_fw_aligned": 3.2705780267715454
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1740,
|
| 12 |
+
"num_gt_atoms": 1728,
|
| 13 |
+
"num_aligned_atoms": 1728,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.993103448275862,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
+
"total": 2.4506757259368896,
|
| 22 |
+
"cdr": 1.0629030466079712,
|
| 23 |
+
"framework": 2.3132665157318115,
|
| 24 |
+
"cdr_fw_aligned": 3.7280631065368652,
|
| 25 |
+
"cdr1": 0.4735316038131714,
|
| 26 |
+
"cdr2": 0.33746084570884705,
|
| 27 |
+
"cdr3": 1.2221606969833374,
|
| 28 |
+
"cdr1_fw_aligned": 4.696201324462891,
|
| 29 |
+
"cdr2_fw_aligned": 4.529033660888672,
|
| 30 |
+
"cdr3_fw_aligned": 2.054517984390259,
|
| 31 |
+
"num_residues": 218,
|
| 32 |
+
"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "C",
|
| 36 |
+
"total": 1.9190151691436768,
|
| 37 |
+
"cdr": 1.002547264099121,
|
| 38 |
+
"framework": 1.8287090063095093,
|
| 39 |
+
"cdr_fw_aligned": 2.8130929470062256,
|
| 40 |
+
"cdr1": 0.5665766596794128,
|
| 41 |
+
"cdr2": 0.555325448513031,
|
| 42 |
+
"cdr3": 1.0502244234085083,
|
| 43 |
+
"cdr1_fw_aligned": 3.265761375427246,
|
| 44 |
+
"cdr2_fw_aligned": 2.1644890308380127,
|
| 45 |
+
"cdr3_fw_aligned": 2.6572799682617188,
|
| 46 |
+
"num_residues": 214,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 884,
|
| 51 |
+
"num_gt_atoms": 872,
|
| 52 |
+
"num_aligned_atoms": 872
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 856,
|
| 56 |
+
"num_gt_atoms": 856,
|
| 57 |
+
"num_aligned_atoms": 856
|
| 58 |
+
}
|
| 59 |
+
}
|
5i74_B_C_A_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "5i74_B_C_A_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 2.1150964498519897,
|
| 7 |
+
"cdr": 1.4345622658729553,
|
| 8 |
+
"framework": 1.9866582155227661,
|
| 9 |
+
"cdr_fw_aligned": 3.2139934301376343
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1740,
|
| 12 |
+
"num_gt_atoms": 1728,
|
| 13 |
+
"num_aligned_atoms": 1728,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.993103448275862,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
+
"total": 2.1519978046417236,
|
| 22 |
+
"cdr": 1.8265348672866821,
|
| 23 |
+
"framework": 2.038036584854126,
|
| 24 |
+
"cdr_fw_aligned": 3.140685796737671,
|
| 25 |
+
"cdr1": 0.3268730938434601,
|
| 26 |
+
"cdr2": 0.3970402777194977,
|
| 27 |
+
"cdr3": 2.237476348876953,
|
| 28 |
+
"cdr1_fw_aligned": 3.5455799102783203,
|
| 29 |
+
"cdr2_fw_aligned": 3.2862260341644287,
|
| 30 |
+
"cdr3_fw_aligned": 2.721679210662842,
|
| 31 |
+
"num_residues": 218,
|
| 32 |
+
"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "C",
|
| 36 |
+
"total": 2.078195095062256,
|
| 37 |
+
"cdr": 1.0425896644592285,
|
| 38 |
+
"framework": 1.9352798461914062,
|
| 39 |
+
"cdr_fw_aligned": 3.2873010635375977,
|
| 40 |
+
"cdr1": 0.4955950081348419,
|
| 41 |
+
"cdr2": 0.5591402053833008,
|
| 42 |
+
"cdr3": 1.3436084985733032,
|
| 43 |
+
"cdr1_fw_aligned": 3.6665825843811035,
|
| 44 |
+
"cdr2_fw_aligned": 2.3911850452423096,
|
| 45 |
+
"cdr3_fw_aligned": 3.3971006870269775,
|
| 46 |
+
"num_residues": 214,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 884,
|
| 51 |
+
"num_gt_atoms": 872,
|
| 52 |
+
"num_aligned_atoms": 872
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 856,
|
| 56 |
+
"num_gt_atoms": 856,
|
| 57 |
+
"num_aligned_atoms": 856
|
| 58 |
+
}
|
| 59 |
+
}
|
5lhq_B__A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "5lhq_B__A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 2.2705471515655518,
|
| 7 |
+
"cdr": 3.468961477279663,
|
| 8 |
+
"framework": 0.888710618019104,
|
| 9 |
+
"cdr_fw_aligned": 4.391880512237549
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 608,
|
| 12 |
+
"num_gt_atoms": 540,
|
| 13 |
+
"num_aligned_atoms": 540,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.8881578947368421,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
+
"total": 2.2705471515655518,
|
| 22 |
+
"cdr": 3.468961477279663,
|
| 23 |
+
"framework": 0.888710618019104,
|
| 24 |
+
"cdr_fw_aligned": 4.391880512237549,
|
| 25 |
+
"cdr1": 0.8477945327758789,
|
| 26 |
+
"cdr2": 1.5679079294204712,
|
| 27 |
+
"cdr3": 3.0678510665893555,
|
| 28 |
+
"cdr1_fw_aligned": 1.3424034118652344,
|
| 29 |
+
"cdr2_fw_aligned": 2.2047855854034424,
|
| 30 |
+
"cdr3_fw_aligned": 5.291093826293945,
|
| 31 |
+
"num_residues": 135,
|
| 32 |
+
"num_cdr_residues": 37
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 608,
|
| 36 |
+
"num_gt_atoms": 540,
|
| 37 |
+
"num_aligned_atoms": 540
|
| 38 |
+
}
|
| 39 |
+
}
|
5m15_C__A_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "5m15_C__A_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.5298858880996704,
|
| 7 |
+
"cdr": 2.3568203449249268,
|
| 8 |
+
"framework": 0.9361430406570435,
|
| 9 |
+
"cdr_fw_aligned": 2.7805724143981934
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 512,
|
| 12 |
+
"num_gt_atoms": 508,
|
| 13 |
+
"num_aligned_atoms": 508,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9921875,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
+
"total": 1.5298858880996704,
|
| 22 |
+
"cdr": 2.3568203449249268,
|
| 23 |
+
"framework": 0.9361430406570435,
|
| 24 |
+
"cdr_fw_aligned": 2.7805724143981934,
|
| 25 |
+
"cdr1": 2.128631830215454,
|
| 26 |
+
"cdr2": 0.7079778909683228,
|
| 27 |
+
"cdr3": 1.8788676261901855,
|
| 28 |
+
"cdr1_fw_aligned": 3.722303867340088,
|
| 29 |
+
"cdr2_fw_aligned": 1.7396399974822998,
|
| 30 |
+
"cdr3_fw_aligned": 2.6108994483947754,
|
| 31 |
+
"num_residues": 127,
|
| 32 |
+
"num_cdr_residues": 29
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 512,
|
| 36 |
+
"num_gt_atoms": 508,
|
| 37 |
+
"num_aligned_atoms": 508
|
| 38 |
+
}
|
| 39 |
+
}
|
5nj3_C_D_B_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "5nj3_C_D_B_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 4.998917818069458,
|
| 7 |
+
"cdr": 1.2482288777828217,
|
| 8 |
+
"framework": 4.7053563594818115,
|
| 9 |
+
"cdr_fw_aligned": 7.723917722702026
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1740,
|
| 12 |
+
"num_gt_atoms": 1672,
|
| 13 |
+
"num_aligned_atoms": 1672,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.960919540229885,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
+
"total": 6.168333053588867,
|
| 22 |
+
"cdr": 1.5496735572814941,
|
| 23 |
+
"framework": 5.8095831871032715,
|
| 24 |
+
"cdr_fw_aligned": 9.395027160644531,
|
| 25 |
+
"cdr1": 1.1338953971862793,
|
| 26 |
+
"cdr2": 0.38690492510795593,
|
| 27 |
+
"cdr3": 0.9471307992935181,
|
| 28 |
+
"cdr1_fw_aligned": 11.799248695373535,
|
| 29 |
+
"cdr2_fw_aligned": 9.824910163879395,
|
| 30 |
+
"cdr3_fw_aligned": 6.58565616607666,
|
| 31 |
+
"num_residues": 208,
|
| 32 |
+
"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "D",
|
| 36 |
+
"total": 3.829502582550049,
|
| 37 |
+
"cdr": 0.9467841982841492,
|
| 38 |
+
"framework": 3.6011295318603516,
|
| 39 |
+
"cdr_fw_aligned": 6.0528082847595215,
|
| 40 |
+
"cdr1": 0.5243478417396545,
|
| 41 |
+
"cdr2": 0.6412476301193237,
|
| 42 |
+
"cdr3": 0.9944826364517212,
|
| 43 |
+
"cdr1_fw_aligned": 6.538412570953369,
|
| 44 |
+
"cdr2_fw_aligned": 6.325814723968506,
|
| 45 |
+
"cdr3_fw_aligned": 5.1512017250061035,
|
| 46 |
+
"num_residues": 210,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 884,
|
| 51 |
+
"num_gt_atoms": 832,
|
| 52 |
+
"num_aligned_atoms": 832
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 856,
|
| 56 |
+
"num_gt_atoms": 840,
|
| 57 |
+
"num_aligned_atoms": 840
|
| 58 |
+
}
|
| 59 |
+
}
|
5o6v_H_L_B_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "5o6v_H_L_B_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.8984994292259216,
|
| 7 |
+
"cdr": 1.824131429195404,
|
| 8 |
+
"framework": 1.7827664613723755,
|
| 9 |
+
"cdr_fw_aligned": 2.771216630935669
|
| 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": 1.9192367792129517,
|
| 22 |
+
"cdr": 2.2186715602874756,
|
| 23 |
+
"framework": 1.774762749671936,
|
| 24 |
+
"cdr_fw_aligned": 2.8641555309295654,
|
| 25 |
+
"cdr1": 0.5960155725479126,
|
| 26 |
+
"cdr2": 1.7011038064956665,
|
| 27 |
+
"cdr3": 1.7295417785644531,
|
| 28 |
+
"cdr1_fw_aligned": 3.1386616230010986,
|
| 29 |
+
"cdr2_fw_aligned": 3.469015121459961,
|
| 30 |
+
"cdr3_fw_aligned": 2.25064754486084,
|
| 31 |
+
"num_residues": 212,
|
| 32 |
+
"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 1.8777620792388916,
|
| 37 |
+
"cdr": 1.4295912981033325,
|
| 38 |
+
"framework": 1.790770173072815,
|
| 39 |
+
"cdr_fw_aligned": 2.6782777309417725,
|
| 40 |
+
"cdr1": 0.707348644733429,
|
| 41 |
+
"cdr2": 1.1226507425308228,
|
| 42 |
+
"cdr3": 1.2032372951507568,
|
| 43 |
+
"cdr1_fw_aligned": 2.217827796936035,
|
| 44 |
+
"cdr2_fw_aligned": 2.2967476844787598,
|
| 45 |
+
"cdr3_fw_aligned": 3.377119302749634,
|
| 46 |
+
"num_residues": 208,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 848,
|
| 51 |
+
"num_gt_atoms": 848,
|
| 52 |
+
"num_aligned_atoms": 848
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 832,
|
| 56 |
+
"num_gt_atoms": 832,
|
| 57 |
+
"num_aligned_atoms": 832
|
| 58 |
+
}
|
| 59 |
+
}
|
5occ_H_L_A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "5occ_H_L_A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 8.914449214935303,
|
| 7 |
+
"cdr": 2.940171480178833,
|
| 8 |
+
"framework": 8.351947546005249,
|
| 9 |
+
"cdr_fw_aligned": 13.971228122711182
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1756,
|
| 12 |
+
"num_gt_atoms": 1752,
|
| 13 |
+
"num_aligned_atoms": 1752,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9977220956719818,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 9.168082237243652,
|
| 22 |
+
"cdr": 3.452662706375122,
|
| 23 |
+
"framework": 8.737862586975098,
|
| 24 |
+
"cdr_fw_aligned": 13.760187149047852,
|
| 25 |
+
"cdr1": 0.4365431070327759,
|
| 26 |
+
"cdr2": 1.4017030000686646,
|
| 27 |
+
"cdr3": 3.1237542629241943,
|
| 28 |
+
"cdr1_fw_aligned": 15.262161254882812,
|
| 29 |
+
"cdr2_fw_aligned": 14.728094100952148,
|
| 30 |
+
"cdr3_fw_aligned": 12.252662658691406,
|
| 31 |
+
"num_residues": 222,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 8.660816192626953,
|
| 37 |
+
"cdr": 2.427680253982544,
|
| 38 |
+
"framework": 7.9660325050354,
|
| 39 |
+
"cdr_fw_aligned": 14.182269096374512,
|
| 40 |
+
"cdr1": 1.723817229270935,
|
| 41 |
+
"cdr2": 0.40450990200042725,
|
| 42 |
+
"cdr3": 1.9594985246658325,
|
| 43 |
+
"cdr1_fw_aligned": 16.893587112426758,
|
| 44 |
+
"cdr2_fw_aligned": 11.743708610534668,
|
| 45 |
+
"cdr3_fw_aligned": 11.581586837768555,
|
| 46 |
+
"num_residues": 216,
|
| 47 |
+
"num_cdr_residues": 32
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 888,
|
| 51 |
+
"num_gt_atoms": 888,
|
| 52 |
+
"num_aligned_atoms": 888
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 868,
|
| 56 |
+
"num_gt_atoms": 864,
|
| 57 |
+
"num_aligned_atoms": 864
|
| 58 |
+
}
|
| 59 |
+
}
|
5occ_H_L_A_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "5occ_H_L_A_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 11.139735221862793,
|
| 7 |
+
"cdr": 3.115336060523987,
|
| 8 |
+
"framework": 10.552098751068115,
|
| 9 |
+
"cdr_fw_aligned": 16.381460666656494
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1756,
|
| 12 |
+
"num_gt_atoms": 1752,
|
| 13 |
+
"num_aligned_atoms": 1752,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9977220956719818,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 11.089845657348633,
|
| 22 |
+
"cdr": 3.2120161056518555,
|
| 23 |
+
"framework": 10.900579452514648,
|
| 24 |
+
"cdr_fw_aligned": 14.165905952453613,
|
| 25 |
+
"cdr1": 1.7589813470840454,
|
| 26 |
+
"cdr2": 1.3297113180160522,
|
| 27 |
+
"cdr3": 1.3728548288345337,
|
| 28 |
+
"cdr1_fw_aligned": 17.403404235839844,
|
| 29 |
+
"cdr2_fw_aligned": 16.61832046508789,
|
| 30 |
+
"cdr3_fw_aligned": 10.163891792297363,
|
| 31 |
+
"num_residues": 222,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 11.189624786376953,
|
| 37 |
+
"cdr": 3.018656015396118,
|
| 38 |
+
"framework": 10.203618049621582,
|
| 39 |
+
"cdr_fw_aligned": 18.597015380859375,
|
| 40 |
+
"cdr1": 1.8929920196533203,
|
| 41 |
+
"cdr2": 0.34552666544914246,
|
| 42 |
+
"cdr3": 2.404324769973755,
|
| 43 |
+
"cdr1_fw_aligned": 21.876394271850586,
|
| 44 |
+
"cdr2_fw_aligned": 15.321749687194824,
|
| 45 |
+
"cdr3_fw_aligned": 15.735897064208984,
|
| 46 |
+
"num_residues": 216,
|
| 47 |
+
"num_cdr_residues": 32
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 888,
|
| 51 |
+
"num_gt_atoms": 888,
|
| 52 |
+
"num_aligned_atoms": 888
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 868,
|
| 56 |
+
"num_gt_atoms": 864,
|
| 57 |
+
"num_aligned_atoms": 864
|
| 58 |
+
}
|
| 59 |
+
}
|
6aod_B_A_C_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "6aod_B_A_C_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 2.3008311986923218,
|
| 7 |
+
"cdr": 2.315789580345154,
|
| 8 |
+
"framework": 2.0379015803337097,
|
| 9 |
+
"cdr_fw_aligned": 4.089853763580322
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1772,
|
| 12 |
+
"num_gt_atoms": 1672,
|
| 13 |
+
"num_aligned_atoms": 1672,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9435665914221218,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
+
"total": 2.481215238571167,
|
| 22 |
+
"cdr": 2.481826066970825,
|
| 23 |
+
"framework": 2.1987857818603516,
|
| 24 |
+
"cdr_fw_aligned": 4.375297546386719,
|
| 25 |
+
"cdr1": 0.23466065526008606,
|
| 26 |
+
"cdr2": 0.25001785159111023,
|
| 27 |
+
"cdr3": 2.034759283065796,
|
| 28 |
+
"cdr1_fw_aligned": 3.9822497367858887,
|
| 29 |
+
"cdr2_fw_aligned": 3.6844654083251953,
|
| 30 |
+
"cdr3_fw_aligned": 5.117952346801758,
|
| 31 |
+
"num_residues": 211,
|
| 32 |
+
"num_cdr_residues": 21
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "A",
|
| 36 |
+
"total": 2.1204471588134766,
|
| 37 |
+
"cdr": 2.1497530937194824,
|
| 38 |
+
"framework": 1.8770173788070679,
|
| 39 |
+
"cdr_fw_aligned": 3.804409980773926,
|
| 40 |
+
"cdr1": 1.9201507568359375,
|
| 41 |
+
"cdr2": 0.15121008455753326,
|
| 42 |
+
"cdr3": 1.5307859182357788,
|
| 43 |
+
"cdr1_fw_aligned": 2.5210373401641846,
|
| 44 |
+
"cdr2_fw_aligned": 3.0094592571258545,
|
| 45 |
+
"cdr3_fw_aligned": 5.348674774169922,
|
| 46 |
+
"num_residues": 207,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 916,
|
| 51 |
+
"num_gt_atoms": 844,
|
| 52 |
+
"num_aligned_atoms": 844
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 856,
|
| 56 |
+
"num_gt_atoms": 828,
|
| 57 |
+
"num_aligned_atoms": 828
|
| 58 |
+
}
|
| 59 |
+
}
|
6aod_B_A_C_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "6aod_B_A_C_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 3.03706693649292,
|
| 7 |
+
"cdr": 2.376332640647888,
|
| 8 |
+
"framework": 2.773462414741516,
|
| 9 |
+
"cdr_fw_aligned": 5.130760669708252
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1772,
|
| 12 |
+
"num_gt_atoms": 1672,
|
| 13 |
+
"num_aligned_atoms": 1672,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9435665914221218,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
+
"total": 3.3293817043304443,
|
| 22 |
+
"cdr": 2.3977901935577393,
|
| 23 |
+
"framework": 3.0752310752868652,
|
| 24 |
+
"cdr_fw_aligned": 5.315107822418213,
|
| 25 |
+
"cdr1": 0.5043162107467651,
|
| 26 |
+
"cdr2": 0.24873389303684235,
|
| 27 |
+
"cdr3": 2.1105737686157227,
|
| 28 |
+
"cdr1_fw_aligned": 5.267472743988037,
|
| 29 |
+
"cdr2_fw_aligned": 5.761257648468018,
|
| 30 |
+
"cdr3_fw_aligned": 4.998518943786621,
|
| 31 |
+
"num_residues": 211,
|
| 32 |
+
"num_cdr_residues": 21
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "A",
|
| 36 |
+
"total": 2.7447521686553955,
|
| 37 |
+
"cdr": 2.354875087738037,
|
| 38 |
+
"framework": 2.471693754196167,
|
| 39 |
+
"cdr_fw_aligned": 4.946413516998291,
|
| 40 |
+
"cdr1": 1.8540829420089722,
|
| 41 |
+
"cdr2": 0.20608486235141754,
|
| 42 |
+
"cdr3": 1.2288528680801392,
|
| 43 |
+
"cdr1_fw_aligned": 3.354595184326172,
|
| 44 |
+
"cdr2_fw_aligned": 4.155118942260742,
|
| 45 |
+
"cdr3_fw_aligned": 6.798427581787109,
|
| 46 |
+
"num_residues": 207,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 916,
|
| 51 |
+
"num_gt_atoms": 844,
|
| 52 |
+
"num_aligned_atoms": 844
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 856,
|
| 56 |
+
"num_gt_atoms": 828,
|
| 57 |
+
"num_aligned_atoms": 828
|
| 58 |
+
}
|
| 59 |
+
}
|
6cxy_H_L_C_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "6cxy_H_L_C_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 3.291536569595337,
|
| 7 |
+
"cdr": 2.094698905944824,
|
| 8 |
+
"framework": 2.8716306686401367,
|
| 9 |
+
"cdr_fw_aligned": 5.7189781665802
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1788,
|
| 12 |
+
"num_gt_atoms": 1708,
|
| 13 |
+
"num_aligned_atoms": 1708,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9552572706935123,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 3.4924278259277344,
|
| 22 |
+
"cdr": 1.4475746154785156,
|
| 23 |
+
"framework": 3.4214746952056885,
|
| 24 |
+
"cdr_fw_aligned": 4.350162029266357,
|
| 25 |
+
"cdr1": 0.5403965711593628,
|
| 26 |
+
"cdr2": 0.15212243795394897,
|
| 27 |
+
"cdr3": 1.5281448364257812,
|
| 28 |
+
"cdr1_fw_aligned": 5.719036102294922,
|
| 29 |
+
"cdr2_fw_aligned": 5.234591960906982,
|
| 30 |
+
"cdr3_fw_aligned": 2.5098564624786377,
|
| 31 |
+
"num_residues": 210,
|
| 32 |
+
"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 3.0906453132629395,
|
| 37 |
+
"cdr": 2.741823196411133,
|
| 38 |
+
"framework": 2.321786642074585,
|
| 39 |
+
"cdr_fw_aligned": 7.087794303894043,
|
| 40 |
+
"cdr1": 3.2354161739349365,
|
| 41 |
+
"cdr2": 0.2666097581386566,
|
| 42 |
+
"cdr3": 0.7681915163993835,
|
| 43 |
+
"cdr1_fw_aligned": 8.853747367858887,
|
| 44 |
+
"cdr2_fw_aligned": 3.2202961444854736,
|
| 45 |
+
"cdr3_fw_aligned": 5.297907829284668,
|
| 46 |
+
"num_residues": 217,
|
| 47 |
+
"num_cdr_residues": 33
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 908,
|
| 51 |
+
"num_gt_atoms": 840,
|
| 52 |
+
"num_aligned_atoms": 840
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 880,
|
| 56 |
+
"num_gt_atoms": 868,
|
| 57 |
+
"num_aligned_atoms": 868
|
| 58 |
+
}
|
| 59 |
+
}
|
6e0c_M_m_ABCD_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "6e0c_M_m_ABCD_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 0.9914867877960205,
|
| 7 |
+
"cdr": 1.1627321243286133,
|
| 8 |
+
"framework": 0.9245082139968872,
|
| 9 |
+
"cdr_fw_aligned": 1.4476024508476257
|
| 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": 0.9914867877960205,
|
| 22 |
+
"cdr": 1.1239013671875,
|
| 23 |
+
"framework": 0.944624662399292,
|
| 24 |
+
"cdr_fw_aligned": 1.374260663986206,
|
| 25 |
+
"cdr1": 0.5709543228149414,
|
| 26 |
+
"cdr2": 0.2961602807044983,
|
| 27 |
+
"cdr3": 1.0153183937072754,
|
| 28 |
+
"cdr1_fw_aligned": 1.5150763988494873,
|
| 29 |
+
"cdr2_fw_aligned": 1.0609660148620605,
|
| 30 |
+
"cdr3_fw_aligned": 1.430328607559204,
|
| 31 |
+
"num_residues": 229,
|
| 32 |
+
"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "M",
|
| 36 |
+
"total": 0.9914867877960205,
|
| 37 |
+
"cdr": 1.2015628814697266,
|
| 38 |
+
"framework": 0.9043917655944824,
|
| 39 |
+
"cdr_fw_aligned": 1.5209442377090454,
|
| 40 |
+
"cdr1": 0.8836825489997864,
|
| 41 |
+
"cdr2": 0.2425939440727234,
|
| 42 |
+
"cdr3": 0.9574478268623352,
|
| 43 |
+
"cdr1_fw_aligned": 1.063922643661499,
|
| 44 |
+
"cdr2_fw_aligned": 0.539431631565094,
|
| 45 |
+
"cdr3_fw_aligned": 2.3086893558502197,
|
| 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 |
+
}
|
6e0c_M_m_ABCD_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "6e0c_M_m_ABCD_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.2516282796859741,
|
| 7 |
+
"cdr": 1.1472549438476562,
|
| 8 |
+
"framework": 1.1761029958724976,
|
| 9 |
+
"cdr_fw_aligned": 1.864716649055481
|
| 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": 1.2516282796859741,
|
| 22 |
+
"cdr": 1.2011102437973022,
|
| 23 |
+
"framework": 1.1815370321273804,
|
| 24 |
+
"cdr_fw_aligned": 1.8782236576080322,
|
| 25 |
+
"cdr1": 0.438077837228775,
|
| 26 |
+
"cdr2": 0.35466840863227844,
|
| 27 |
+
"cdr3": 1.310063362121582,
|
| 28 |
+
"cdr1_fw_aligned": 2.248784065246582,
|
| 29 |
+
"cdr2_fw_aligned": 1.8564729690551758,
|
| 30 |
+
"cdr3_fw_aligned": 1.6120890378952026,
|
| 31 |
+
"num_residues": 229,
|
| 32 |
+
"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "M",
|
| 36 |
+
"total": 1.2516282796859741,
|
| 37 |
+
"cdr": 1.0933996438980103,
|
| 38 |
+
"framework": 1.1706689596176147,
|
| 39 |
+
"cdr_fw_aligned": 1.8512096405029297,
|
| 40 |
+
"cdr1": 0.9064630270004272,
|
| 41 |
+
"cdr2": 0.37684866786003113,
|
| 42 |
+
"cdr3": 1.1069045066833496,
|
| 43 |
+
"cdr1_fw_aligned": 1.430861234664917,
|
| 44 |
+
"cdr2_fw_aligned": 1.2339133024215698,
|
| 45 |
+
"cdr3_fw_aligned": 2.5679702758789062,
|
| 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_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "6h6y_H__D_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.3533244132995605,
|
| 7 |
+
"cdr": 2.336085796356201,
|
| 8 |
+
"framework": 0.589583158493042,
|
| 9 |
+
"cdr_fw_aligned": 3.0439252853393555
|
| 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": 1.3533244132995605,
|
| 22 |
+
"cdr": 2.336085796356201,
|
| 23 |
+
"framework": 0.589583158493042,
|
| 24 |
+
"cdr_fw_aligned": 3.0439252853393555,
|
| 25 |
+
"cdr1": 2.569915294647217,
|
| 26 |
+
"cdr2": 0.8510531187057495,
|
| 27 |
+
"cdr3": 0.9792550802230835,
|
| 28 |
+
"cdr1_fw_aligned": 4.549807548522949,
|
| 29 |
+
"cdr2_fw_aligned": 2.026873826980591,
|
| 30 |
+
"cdr3_fw_aligned": 1.7684881687164307,
|
| 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 |
+
}
|
6ibb_B__A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "6ibb_B__A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 2.289803981781006,
|
| 7 |
+
"cdr": 3.1119022369384766,
|
| 8 |
+
"framework": 1.7535301446914673,
|
| 9 |
+
"cdr_fw_aligned": 3.5927131175994873
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 568,
|
| 12 |
+
"num_gt_atoms": 532,
|
| 13 |
+
"num_aligned_atoms": 532,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9366197183098591,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
+
"total": 2.289803981781006,
|
| 22 |
+
"cdr": 3.1119022369384766,
|
| 23 |
+
"framework": 1.7535301446914673,
|
| 24 |
+
"cdr_fw_aligned": 3.5927131175994873,
|
| 25 |
+
"cdr1": 2.0296294689178467,
|
| 26 |
+
"cdr2": 0.18283577263355255,
|
| 27 |
+
"cdr3": 2.9577133655548096,
|
| 28 |
+
"cdr1_fw_aligned": 3.004910469055176,
|
| 29 |
+
"cdr2_fw_aligned": 0.709722101688385,
|
| 30 |
+
"cdr3_fw_aligned": 4.167242050170898,
|
| 31 |
+
"num_residues": 133,
|
| 32 |
+
"num_cdr_residues": 32
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 568,
|
| 36 |
+
"num_gt_atoms": 532,
|
| 37 |
+
"num_aligned_atoms": 532
|
| 38 |
+
}
|
| 39 |
+
}
|
6ibb_B__A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "6ibb_B__A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 3.2525389194488525,
|
| 7 |
+
"cdr": 2.432284355163574,
|
| 8 |
+
"framework": 3.4058291912078857,
|
| 9 |
+
"cdr_fw_aligned": 2.823302984237671
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 568,
|
| 12 |
+
"num_gt_atoms": 532,
|
| 13 |
+
"num_aligned_atoms": 532,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9366197183098591,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
+
"total": 3.2525389194488525,
|
| 22 |
+
"cdr": 2.432284355163574,
|
| 23 |
+
"framework": 3.4058291912078857,
|
| 24 |
+
"cdr_fw_aligned": 2.823302984237671,
|
| 25 |
+
"cdr1": 1.457360863685608,
|
| 26 |
+
"cdr2": 0.5680176615715027,
|
| 27 |
+
"cdr3": 2.485414505004883,
|
| 28 |
+
"cdr1_fw_aligned": 2.6383042335510254,
|
| 29 |
+
"cdr2_fw_aligned": 1.075560212135315,
|
| 30 |
+
"cdr3_fw_aligned": 3.1667377948760986,
|
| 31 |
+
"num_residues": 133,
|
| 32 |
+
"num_cdr_residues": 32
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 568,
|
| 36 |
+
"num_gt_atoms": 532,
|
| 37 |
+
"num_aligned_atoms": 532
|
| 38 |
+
}
|
| 39 |
+
}
|
6j71_B_b_A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "6j71_B_b_A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.5719915628433228,
|
| 7 |
+
"cdr": 2.620236396789551,
|
| 8 |
+
"framework": 1.2609996795654297,
|
| 9 |
+
"cdr_fw_aligned": 2.9635400772094727
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 2032,
|
| 12 |
+
"num_gt_atoms": 1864,
|
| 13 |
+
"num_aligned_atoms": 1864,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9173228346456693,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
+
"total": 1.5719915628433228,
|
| 22 |
+
"cdr": 2.5112569332122803,
|
| 23 |
+
"framework": 1.368525505065918,
|
| 24 |
+
"cdr_fw_aligned": 2.8141884803771973,
|
| 25 |
+
"cdr1": 0.4836204946041107,
|
| 26 |
+
"cdr2": 0.6617671847343445,
|
| 27 |
+
"cdr3": 2.667203664779663,
|
| 28 |
+
"cdr1_fw_aligned": 1.1031241416931152,
|
| 29 |
+
"cdr2_fw_aligned": 2.9902026653289795,
|
| 30 |
+
"cdr3_fw_aligned": 3.4099740982055664,
|
| 31 |
+
"num_residues": 233,
|
| 32 |
+
"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "B",
|
| 36 |
+
"total": 1.5719915628433228,
|
| 37 |
+
"cdr": 2.7292158603668213,
|
| 38 |
+
"framework": 1.1534738540649414,
|
| 39 |
+
"cdr_fw_aligned": 3.112891674041748,
|
| 40 |
+
"cdr1": 3.2287380695343018,
|
| 41 |
+
"cdr2": 0.3969643712043762,
|
| 42 |
+
"cdr3": 0.373397558927536,
|
| 43 |
+
"cdr1_fw_aligned": 4.271730899810791,
|
| 44 |
+
"cdr2_fw_aligned": 0.9859915971755981,
|
| 45 |
+
"cdr3_fw_aligned": 0.5536128878593445,
|
| 46 |
+
"num_residues": 233,
|
| 47 |
+
"num_cdr_residues": 33
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 1016,
|
| 51 |
+
"num_gt_atoms": 932,
|
| 52 |
+
"num_aligned_atoms": 932
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 1016,
|
| 56 |
+
"num_gt_atoms": 932,
|
| 57 |
+
"num_aligned_atoms": 932
|
| 58 |
+
}
|
| 59 |
+
}
|
6lxk_J_K_C_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "6lxk_J_K_C_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 4.109045505523682,
|
| 7 |
+
"cdr": 5.3293458223342896,
|
| 8 |
+
"framework": 2.754058361053467,
|
| 9 |
+
"cdr_fw_aligned": 8.659198522567749
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1812,
|
| 12 |
+
"num_gt_atoms": 1772,
|
| 13 |
+
"num_aligned_atoms": 1772,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.977924944812362,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "J",
|
| 21 |
+
"total": 4.479196071624756,
|
| 22 |
+
"cdr": 7.160340785980225,
|
| 23 |
+
"framework": 2.45499849319458,
|
| 24 |
+
"cdr_fw_aligned": 10.323699951171875,
|
| 25 |
+
"cdr1": 1.530806064605713,
|
| 26 |
+
"cdr2": 0.3680100440979004,
|
| 27 |
+
"cdr3": 5.144820213317871,
|
| 28 |
+
"cdr1_fw_aligned": 2.9906837940216064,
|
| 29 |
+
"cdr2_fw_aligned": 2.8269236087799072,
|
| 30 |
+
"cdr3_fw_aligned": 12.72839641571045,
|
| 31 |
+
"num_residues": 232,
|
| 32 |
+
"num_cdr_residues": 36
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "K",
|
| 36 |
+
"total": 3.7388949394226074,
|
| 37 |
+
"cdr": 3.4983508586883545,
|
| 38 |
+
"framework": 3.0531182289123535,
|
| 39 |
+
"cdr_fw_aligned": 6.994697093963623,
|
| 40 |
+
"cdr1": 4.0660080909729,
|
| 41 |
+
"cdr2": 0.5893357992172241,
|
| 42 |
+
"cdr3": 1.9199520349502563,
|
| 43 |
+
"cdr1_fw_aligned": 9.329764366149902,
|
| 44 |
+
"cdr2_fw_aligned": 4.203105449676514,
|
| 45 |
+
"cdr3_fw_aligned": 4.176313400268555,
|
| 46 |
+
"num_residues": 211,
|
| 47 |
+
"num_cdr_residues": 31
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 948,
|
| 51 |
+
"num_gt_atoms": 928,
|
| 52 |
+
"num_aligned_atoms": 928
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 864,
|
| 56 |
+
"num_gt_atoms": 844,
|
| 57 |
+
"num_aligned_atoms": 844
|
| 58 |
+
}
|
| 59 |
+
}
|
6lxk_J_K_C_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "6lxk_J_K_C_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 5.476956844329834,
|
| 7 |
+
"cdr": 4.188621282577515,
|
| 8 |
+
"framework": 4.3732370138168335,
|
| 9 |
+
"cdr_fw_aligned": 10.963103771209717
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1812,
|
| 12 |
+
"num_gt_atoms": 1772,
|
| 13 |
+
"num_aligned_atoms": 1772,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.977924944812362,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "J",
|
| 21 |
+
"total": 5.012200832366943,
|
| 22 |
+
"cdr": 4.805231094360352,
|
| 23 |
+
"framework": 3.774733781814575,
|
| 24 |
+
"cdr_fw_aligned": 10.807644844055176,
|
| 25 |
+
"cdr1": 1.4664257764816284,
|
| 26 |
+
"cdr2": 0.40155765414237976,
|
| 27 |
+
"cdr3": 3.376051187515259,
|
| 28 |
+
"cdr1_fw_aligned": 6.188107967376709,
|
| 29 |
+
"cdr2_fw_aligned": 5.594200611114502,
|
| 30 |
+
"cdr3_fw_aligned": 12.767434120178223,
|
| 31 |
+
"num_residues": 232,
|
| 32 |
+
"num_cdr_residues": 36
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "K",
|
| 36 |
+
"total": 5.941712856292725,
|
| 37 |
+
"cdr": 3.5720114707946777,
|
| 38 |
+
"framework": 4.971740245819092,
|
| 39 |
+
"cdr_fw_aligned": 11.118562698364258,
|
| 40 |
+
"cdr1": 4.1072998046875,
|
| 41 |
+
"cdr2": 0.5842952132225037,
|
| 42 |
+
"cdr3": 2.035729169845581,
|
| 43 |
+
"cdr1_fw_aligned": 14.188712120056152,
|
| 44 |
+
"cdr2_fw_aligned": 7.140809535980225,
|
| 45 |
+
"cdr3_fw_aligned": 8.104854583740234,
|
| 46 |
+
"num_residues": 211,
|
| 47 |
+
"num_cdr_residues": 31
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 948,
|
| 51 |
+
"num_gt_atoms": 928,
|
| 52 |
+
"num_aligned_atoms": 928
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 864,
|
| 56 |
+
"num_gt_atoms": 844,
|
| 57 |
+
"num_aligned_atoms": 844
|
| 58 |
+
}
|
| 59 |
+
}
|