Add files using upload-large-folder tool
Browse filesThis view is limited to 50 files because it contains too many changes.
See raw diff
- 8e1m_H_L_C_sample_4_rmsd.json +59 -0
- 8e1m_H_L_C_sample_4_rmsd_backbone.json +59 -0
- 8euq_C_D_AB_sample_2_rmsd_backbone.json +59 -0
- 8q7s_F__D_sample_4_rmsd.json +39 -0
- 8q94_C__A_sample_0_rmsd_backbone.json +39 -0
- 8qf5_G__H_sample_3_rmsd_backbone.json +39 -0
- 8qz1_C__B_sample_2_rmsd_backbone.json +39 -0
- 8qz6_B__A_sample_0_rmsd.json +39 -0
- 8qz6_B__A_sample_0_rmsd_backbone.json +39 -0
- 8qz6_B__A_sample_1_rmsd.json +39 -0
- 8qz7_B__A_sample_0_rmsd_backbone.json +39 -0
- 8r1c_H_L_A_sample_3_rmsd_backbone.json +59 -0
- 8r40_A_a_C_sample_0_rmsd.json +59 -0
- 8r40_A_a_C_sample_1_rmsd.json +59 -0
- 8r40_A_a_C_sample_1_rmsd_backbone.json +59 -0
- 8r40_A_a_C_sample_2_rmsd.json +59 -0
- 8r80_H_L_R_sample_2_rmsd.json +59 -0
- 8r80_H_L_R_sample_3_rmsd.json +59 -0
- 8r9y_H_L_A_sample_1_rmsd_backbone.json +59 -0
- 8r9y_H_L_A_sample_4_rmsd_backbone.json +59 -0
- 8r9z_B_C_A_sample_3_rmsd_backbone.json +59 -0
- 8r9z_H_L_A_sample_1_rmsd_backbone.json +59 -0
- 8rrn_H_L_A_sample_1_rmsd.json +59 -0
- 8rz1_A_a_B_sample_0_rmsd_backbone.json +59 -0
- 8rz2_B_C_A_sample_0_rmsd_backbone.json +59 -0
- 8s0l_B__A_sample_4_rmsd.json +39 -0
- 8s5w_B__A_sample_4_rmsd.json +39 -0
- 8scx_H_L_C_sample_4_rmsd.json +59 -0
- 8sdg_G_I_C_sample_2_rmsd.json +59 -0
- 8sdg_G_I_C_sample_3_rmsd.json +59 -0
- 8sfx_D__B_sample_3_rmsd_backbone.json +39 -0
- 8sfx_D__B_sample_4_rmsd.json +39 -0
- 8sgi_H_L_A_sample_0_rmsd.json +59 -0
- 8sgi_H_L_A_sample_1_rmsd.json +59 -0
- 8sgj_H_L_A_sample_0_rmsd.json +59 -0
- 8sgj_H_L_A_sample_2_rmsd.json +59 -0
- 8sgj_H_L_A_sample_3_rmsd.json +59 -0
- 8sgt_H_L_A_sample_0_rmsd_backbone.json +59 -0
- 8smk_B_C_A_sample_1_rmsd_backbone.json +59 -0
- 8smk_B_C_A_sample_4_rmsd_backbone.json +59 -0
- 8smm_H_L_A_sample_3_rmsd_backbone.json +59 -0
- 8smn_H_L_A_sample_3_rmsd_backbone.json +59 -0
- 8so3_Y_Z_X_sample_2_rmsd.json +59 -0
- 8so3_Y_Z_X_sample_3_rmsd.json +59 -0
- 8sr0_Y_Z_X_sample_0_rmsd_backbone.json +59 -0
- 8sxp_H_L_C_sample_1_rmsd_backbone.json +59 -0
- 8sxp_H_L_C_sample_4_rmsd_backbone.json +59 -0
- 8t03_C_D_A_sample_4_rmsd_backbone.json +59 -0
- 8t04_C_D_A_sample_0_rmsd_backbone.json +59 -0
- 8t1g_G_I_CD_sample_0_rmsd.json +59 -0
8e1m_H_L_C_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8e1m_H_L_C_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 0.9859309792518616,
|
| 7 |
+
"cdr": 0.7832673788070679,
|
| 8 |
+
"framework": 1.0071403980255127,
|
| 9 |
+
"cdr_fw_aligned": 0.914797306060791
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 3561,
|
| 12 |
+
"num_gt_atoms": 1738,
|
| 13 |
+
"num_aligned_atoms": 1614,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.45324347093513057,
|
| 16 |
+
"gt_coverage": 0.9286536248561565,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.0735511779785156,
|
| 22 |
+
"cdr": 0.8463396430015564,
|
| 23 |
+
"framework": 1.0806159973144531,
|
| 24 |
+
"cdr_fw_aligned": 1.0653345584869385,
|
| 25 |
+
"cdr1": 0.42342332005500793,
|
| 26 |
+
"cdr2": 0.3354261815547943,
|
| 27 |
+
"cdr3": 0.680408775806427,
|
| 28 |
+
"cdr1_fw_aligned": 0.810496985912323,
|
| 29 |
+
"cdr2_fw_aligned": 1.4865796566009521,
|
| 30 |
+
"cdr3_fw_aligned": 0.9936994910240173,
|
| 31 |
+
"num_residues": 117,
|
| 32 |
+
"num_cdr_residues": 21
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 0.8983107805252075,
|
| 37 |
+
"cdr": 0.7201951146125793,
|
| 38 |
+
"framework": 0.9336647987365723,
|
| 39 |
+
"cdr_fw_aligned": 0.7642600536346436,
|
| 40 |
+
"cdr1": 0.7424372434616089,
|
| 41 |
+
"cdr2": 0.38726434111595154,
|
| 42 |
+
"cdr3": 0.3891688585281372,
|
| 43 |
+
"cdr1_fw_aligned": 0.9264547228813171,
|
| 44 |
+
"cdr2_fw_aligned": 0.5282163023948669,
|
| 45 |
+
"cdr3_fw_aligned": 0.5910439491271973,
|
| 46 |
+
"num_residues": 111,
|
| 47 |
+
"num_cdr_residues": 31
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 1755,
|
| 51 |
+
"num_gt_atoms": 901,
|
| 52 |
+
"num_aligned_atoms": 846
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 1806,
|
| 56 |
+
"num_gt_atoms": 837,
|
| 57 |
+
"num_aligned_atoms": 768
|
| 58 |
+
}
|
| 59 |
+
}
|
8e1m_H_L_C_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8e1m_H_L_C_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 0.6701110005378723,
|
| 7 |
+
"cdr": 0.7117140293121338,
|
| 8 |
+
"framework": 0.6106607913970947,
|
| 9 |
+
"cdr_fw_aligned": 0.8771959543228149
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1904,
|
| 12 |
+
"num_gt_atoms": 912,
|
| 13 |
+
"num_aligned_atoms": 912,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.4789915966386555,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 0.7907845973968506,
|
| 22 |
+
"cdr": 0.7692043781280518,
|
| 23 |
+
"framework": 0.744823157787323,
|
| 24 |
+
"cdr_fw_aligned": 1.0456990003585815,
|
| 25 |
+
"cdr1": 0.37696021795272827,
|
| 26 |
+
"cdr2": 0.3336254954338074,
|
| 27 |
+
"cdr3": 0.5439018607139587,
|
| 28 |
+
"cdr1_fw_aligned": 0.7631744742393494,
|
| 29 |
+
"cdr2_fw_aligned": 1.5488932132720947,
|
| 30 |
+
"cdr3_fw_aligned": 0.8749917149543762,
|
| 31 |
+
"num_residues": 117,
|
| 32 |
+
"num_cdr_residues": 21
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 0.549437403678894,
|
| 37 |
+
"cdr": 0.6542236804962158,
|
| 38 |
+
"framework": 0.47649842500686646,
|
| 39 |
+
"cdr_fw_aligned": 0.7086929082870483,
|
| 40 |
+
"cdr1": 0.6844105124473572,
|
| 41 |
+
"cdr2": 0.3046051859855652,
|
| 42 |
+
"cdr3": 0.27263692021369934,
|
| 43 |
+
"cdr1_fw_aligned": 0.8805414438247681,
|
| 44 |
+
"cdr2_fw_aligned": 0.5048792958259583,
|
| 45 |
+
"cdr3_fw_aligned": 0.4893321096897125,
|
| 46 |
+
"num_residues": 111,
|
| 47 |
+
"num_cdr_residues": 31
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 952,
|
| 51 |
+
"num_gt_atoms": 468,
|
| 52 |
+
"num_aligned_atoms": 468
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 952,
|
| 56 |
+
"num_gt_atoms": 444,
|
| 57 |
+
"num_aligned_atoms": 444
|
| 58 |
+
}
|
| 59 |
+
}
|
8euq_C_D_AB_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8euq_C_D_AB_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.2161778211593628,
|
| 7 |
+
"cdr": 1.064650446176529,
|
| 8 |
+
"framework": 1.1195977330207825,
|
| 9 |
+
"cdr_fw_aligned": 1.8892447352409363
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1748,
|
| 12 |
+
"num_gt_atoms": 1736,
|
| 13 |
+
"num_aligned_atoms": 1736,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9931350114416476,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
+
"total": 1.3817126750946045,
|
| 22 |
+
"cdr": 1.6023173332214355,
|
| 23 |
+
"framework": 1.2313381433486938,
|
| 24 |
+
"cdr_fw_aligned": 2.4035634994506836,
|
| 25 |
+
"cdr1": 0.4108400046825409,
|
| 26 |
+
"cdr2": 0.1776934415102005,
|
| 27 |
+
"cdr3": 1.7140768766403198,
|
| 28 |
+
"cdr1_fw_aligned": 1.1371732950210571,
|
| 29 |
+
"cdr2_fw_aligned": 0.9519591927528381,
|
| 30 |
+
"cdr3_fw_aligned": 3.228360414505005,
|
| 31 |
+
"num_residues": 222,
|
| 32 |
+
"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "D",
|
| 36 |
+
"total": 1.050642967224121,
|
| 37 |
+
"cdr": 0.5269835591316223,
|
| 38 |
+
"framework": 1.007857322692871,
|
| 39 |
+
"cdr_fw_aligned": 1.374925971031189,
|
| 40 |
+
"cdr1": 0.3504346013069153,
|
| 41 |
+
"cdr2": 0.5178865790367126,
|
| 42 |
+
"cdr3": 0.33093833923339844,
|
| 43 |
+
"cdr1_fw_aligned": 1.4193382263183594,
|
| 44 |
+
"cdr2_fw_aligned": 1.8365072011947632,
|
| 45 |
+
"cdr3_fw_aligned": 0.7653918862342834,
|
| 46 |
+
"num_residues": 212,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 892,
|
| 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": 848,
|
| 57 |
+
"num_aligned_atoms": 848
|
| 58 |
+
}
|
| 59 |
+
}
|
8q7s_F__D_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8q7s_F__D_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.557606816291809,
|
| 7 |
+
"cdr": 2.488471746444702,
|
| 8 |
+
"framework": 1.0707241296768188,
|
| 9 |
+
"cdr_fw_aligned": 2.8928346633911133
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 948,
|
| 12 |
+
"num_gt_atoms": 966,
|
| 13 |
+
"num_aligned_atoms": 890,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9388185654008439,
|
| 16 |
+
"gt_coverage": 0.9213250517598344,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "F",
|
| 21 |
+
"total": 1.557606816291809,
|
| 22 |
+
"cdr": 2.488471746444702,
|
| 23 |
+
"framework": 1.0707241296768188,
|
| 24 |
+
"cdr_fw_aligned": 2.8928346633911133,
|
| 25 |
+
"cdr1": 3.031822681427002,
|
| 26 |
+
"cdr2": 0.4470130205154419,
|
| 27 |
+
"cdr3": 1.7455270290374756,
|
| 28 |
+
"cdr1_fw_aligned": 5.060549736022949,
|
| 29 |
+
"cdr2_fw_aligned": 1.1590335369110107,
|
| 30 |
+
"cdr3_fw_aligned": 2.040357828140259,
|
| 31 |
+
"num_residues": 128,
|
| 32 |
+
"num_cdr_residues": 32
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 948,
|
| 36 |
+
"num_gt_atoms": 966,
|
| 37 |
+
"num_aligned_atoms": 890
|
| 38 |
+
}
|
| 39 |
+
}
|
8q94_C__A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8q94_C__A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 2.0593512058258057,
|
| 7 |
+
"cdr": 3.440488815307617,
|
| 8 |
+
"framework": 0.9461111426353455,
|
| 9 |
+
"cdr_fw_aligned": 3.9103338718414307
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 528,
|
| 12 |
+
"num_gt_atoms": 508,
|
| 13 |
+
"num_aligned_atoms": 508,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9621212121212122,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
+
"total": 2.0593512058258057,
|
| 22 |
+
"cdr": 3.440488815307617,
|
| 23 |
+
"framework": 0.9461111426353455,
|
| 24 |
+
"cdr_fw_aligned": 3.9103338718414307,
|
| 25 |
+
"cdr1": 1.7708535194396973,
|
| 26 |
+
"cdr2": 0.453369677066803,
|
| 27 |
+
"cdr3": 3.2369580268859863,
|
| 28 |
+
"cdr1_fw_aligned": 3.5496177673339844,
|
| 29 |
+
"cdr2_fw_aligned": 1.01033353805542,
|
| 30 |
+
"cdr3_fw_aligned": 4.559433937072754,
|
| 31 |
+
"num_residues": 127,
|
| 32 |
+
"num_cdr_residues": 32
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 528,
|
| 36 |
+
"num_gt_atoms": 508,
|
| 37 |
+
"num_aligned_atoms": 508
|
| 38 |
+
}
|
| 39 |
+
}
|
8qf5_G__H_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qf5_G__H_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 2.3181397914886475,
|
| 7 |
+
"cdr": 3.3277487754821777,
|
| 8 |
+
"framework": 1.4206312894821167,
|
| 9 |
+
"cdr_fw_aligned": 5.043666839599609
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 480,
|
| 12 |
+
"num_gt_atoms": 480,
|
| 13 |
+
"num_aligned_atoms": 480,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 1.0,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": true
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "G",
|
| 21 |
+
"total": 2.3181397914886475,
|
| 22 |
+
"cdr": 3.3277487754821777,
|
| 23 |
+
"framework": 1.4206312894821167,
|
| 24 |
+
"cdr_fw_aligned": 5.043666839599609,
|
| 25 |
+
"cdr1": 1.332332968711853,
|
| 26 |
+
"cdr2": 0.16913288831710815,
|
| 27 |
+
"cdr3": 2.949902057647705,
|
| 28 |
+
"cdr1_fw_aligned": 2.6095423698425293,
|
| 29 |
+
"cdr2_fw_aligned": 0.650711178779602,
|
| 30 |
+
"cdr3_fw_aligned": 7.140472888946533,
|
| 31 |
+
"num_residues": 120,
|
| 32 |
+
"num_cdr_residues": 22
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 480,
|
| 36 |
+
"num_gt_atoms": 480,
|
| 37 |
+
"num_aligned_atoms": 480
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz1_C__B_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz1_C__B_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.3846122026443481,
|
| 7 |
+
"cdr": 1.586512565612793,
|
| 8 |
+
"framework": 1.1439341306686401,
|
| 9 |
+
"cdr_fw_aligned": 2.2308499813079834
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 544,
|
| 12 |
+
"num_gt_atoms": 516,
|
| 13 |
+
"num_aligned_atoms": 516,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9485294117647058,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
+
"total": 1.3846122026443481,
|
| 22 |
+
"cdr": 1.586512565612793,
|
| 23 |
+
"framework": 1.1439341306686401,
|
| 24 |
+
"cdr_fw_aligned": 2.2308499813079834,
|
| 25 |
+
"cdr1": 1.9860923290252686,
|
| 26 |
+
"cdr2": 0.2441832572221756,
|
| 27 |
+
"cdr3": 0.8004312515258789,
|
| 28 |
+
"cdr1_fw_aligned": 3.371152400970459,
|
| 29 |
+
"cdr2_fw_aligned": 1.700742244720459,
|
| 30 |
+
"cdr3_fw_aligned": 1.755545735359192,
|
| 31 |
+
"num_residues": 129,
|
| 32 |
+
"num_cdr_residues": 30
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 544,
|
| 36 |
+
"num_gt_atoms": 516,
|
| 37 |
+
"num_aligned_atoms": 516
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz6_B__A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz6_B__A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.4417763948440552,
|
| 7 |
+
"cdr": 2.10685658454895,
|
| 8 |
+
"framework": 1.1168900728225708,
|
| 9 |
+
"cdr_fw_aligned": 2.4593398571014404
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1016,
|
| 12 |
+
"num_gt_atoms": 913,
|
| 13 |
+
"num_aligned_atoms": 839,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.8257874015748031,
|
| 16 |
+
"gt_coverage": 0.91894852135816,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
+
"total": 1.4417763948440552,
|
| 22 |
+
"cdr": 2.10685658454895,
|
| 23 |
+
"framework": 1.1168900728225708,
|
| 24 |
+
"cdr_fw_aligned": 2.4593398571014404,
|
| 25 |
+
"cdr1": 0.7126812934875488,
|
| 26 |
+
"cdr2": 0.522243857383728,
|
| 27 |
+
"cdr3": 2.389195680618286,
|
| 28 |
+
"cdr1_fw_aligned": 1.4738905429840088,
|
| 29 |
+
"cdr2_fw_aligned": 0.6327456831932068,
|
| 30 |
+
"cdr3_fw_aligned": 3.0907697677612305,
|
| 31 |
+
"num_residues": 124,
|
| 32 |
+
"num_cdr_residues": 30
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 1016,
|
| 36 |
+
"num_gt_atoms": 913,
|
| 37 |
+
"num_aligned_atoms": 839
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz6_B__A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz6_B__A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.1982994079589844,
|
| 7 |
+
"cdr": 1.8298399448394775,
|
| 8 |
+
"framework": 0.707858681678772,
|
| 9 |
+
"cdr_fw_aligned": 2.2309482097625732
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 544,
|
| 12 |
+
"num_gt_atoms": 496,
|
| 13 |
+
"num_aligned_atoms": 496,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9117647058823529,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
+
"total": 1.1982994079589844,
|
| 22 |
+
"cdr": 1.8298399448394775,
|
| 23 |
+
"framework": 0.707858681678772,
|
| 24 |
+
"cdr_fw_aligned": 2.2309482097625732,
|
| 25 |
+
"cdr1": 0.4980345368385315,
|
| 26 |
+
"cdr2": 0.30920886993408203,
|
| 27 |
+
"cdr3": 1.9819735288619995,
|
| 28 |
+
"cdr1_fw_aligned": 1.4040858745574951,
|
| 29 |
+
"cdr2_fw_aligned": 0.4345308840274811,
|
| 30 |
+
"cdr3_fw_aligned": 2.811539888381958,
|
| 31 |
+
"num_residues": 124,
|
| 32 |
+
"num_cdr_residues": 30
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 544,
|
| 36 |
+
"num_gt_atoms": 496,
|
| 37 |
+
"num_aligned_atoms": 496
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz6_B__A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz6_B__A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.4596856832504272,
|
| 7 |
+
"cdr": 2.2532825469970703,
|
| 8 |
+
"framework": 1.0824270248413086,
|
| 9 |
+
"cdr_fw_aligned": 2.604583978652954
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1016,
|
| 12 |
+
"num_gt_atoms": 913,
|
| 13 |
+
"num_aligned_atoms": 839,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.8257874015748031,
|
| 16 |
+
"gt_coverage": 0.91894852135816,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
+
"total": 1.4596856832504272,
|
| 22 |
+
"cdr": 2.2532825469970703,
|
| 23 |
+
"framework": 1.0824270248413086,
|
| 24 |
+
"cdr_fw_aligned": 2.604583978652954,
|
| 25 |
+
"cdr1": 0.5717113018035889,
|
| 26 |
+
"cdr2": 0.4140186905860901,
|
| 27 |
+
"cdr3": 2.3482582569122314,
|
| 28 |
+
"cdr1_fw_aligned": 0.8163964748382568,
|
| 29 |
+
"cdr2_fw_aligned": 0.6356584429740906,
|
| 30 |
+
"cdr3_fw_aligned": 3.378701686859131,
|
| 31 |
+
"num_residues": 124,
|
| 32 |
+
"num_cdr_residues": 30
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 1016,
|
| 36 |
+
"num_gt_atoms": 913,
|
| 37 |
+
"num_aligned_atoms": 839
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz7_B__A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz7_B__A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.136395812034607,
|
| 7 |
+
"cdr": 1.722904920578003,
|
| 8 |
+
"framework": 0.6717444658279419,
|
| 9 |
+
"cdr_fw_aligned": 2.134282350540161
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 544,
|
| 12 |
+
"num_gt_atoms": 496,
|
| 13 |
+
"num_aligned_atoms": 496,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9117647058823529,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
+
"total": 1.136395812034607,
|
| 22 |
+
"cdr": 1.722904920578003,
|
| 23 |
+
"framework": 0.6717444658279419,
|
| 24 |
+
"cdr_fw_aligned": 2.134282350540161,
|
| 25 |
+
"cdr1": 0.48108136653900146,
|
| 26 |
+
"cdr2": 0.24988511204719543,
|
| 27 |
+
"cdr3": 1.9267046451568604,
|
| 28 |
+
"cdr1_fw_aligned": 1.1051808595657349,
|
| 29 |
+
"cdr2_fw_aligned": 0.42877453565597534,
|
| 30 |
+
"cdr3_fw_aligned": 2.7332546710968018,
|
| 31 |
+
"num_residues": 124,
|
| 32 |
+
"num_cdr_residues": 30
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 544,
|
| 36 |
+
"num_gt_atoms": 496,
|
| 37 |
+
"num_aligned_atoms": 496
|
| 38 |
+
}
|
| 39 |
+
}
|
8r1c_H_L_A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r1c_H_L_A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.3190270066261292,
|
| 7 |
+
"cdr": 2.158851236104965,
|
| 8 |
+
"framework": 0.5269421339035034,
|
| 9 |
+
"cdr_fw_aligned": 2.639219105243683
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 936,
|
| 12 |
+
"num_gt_atoms": 932,
|
| 13 |
+
"num_aligned_atoms": 932,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9957264957264957,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 2.049497127532959,
|
| 22 |
+
"cdr": 3.7026546001434326,
|
| 23 |
+
"framework": 0.5444962978363037,
|
| 24 |
+
"cdr_fw_aligned": 4.421021938323975,
|
| 25 |
+
"cdr1": 0.42602548003196716,
|
| 26 |
+
"cdr2": 0.2615169584751129,
|
| 27 |
+
"cdr3": 4.174233913421631,
|
| 28 |
+
"cdr1_fw_aligned": 0.5057838559150696,
|
| 29 |
+
"cdr2_fw_aligned": 0.6383282542228699,
|
| 30 |
+
"cdr3_fw_aligned": 6.227438926696777,
|
| 31 |
+
"num_residues": 124,
|
| 32 |
+
"num_cdr_residues": 28
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 0.5885568857192993,
|
| 37 |
+
"cdr": 0.6150478720664978,
|
| 38 |
+
"framework": 0.5093879699707031,
|
| 39 |
+
"cdr_fw_aligned": 0.8574162721633911,
|
| 40 |
+
"cdr1": 0.6501964330673218,
|
| 41 |
+
"cdr2": 0.25712987780570984,
|
| 42 |
+
"cdr3": 0.6421862840652466,
|
| 43 |
+
"cdr1_fw_aligned": 0.8907536268234253,
|
| 44 |
+
"cdr2_fw_aligned": 0.5480673909187317,
|
| 45 |
+
"cdr3_fw_aligned": 0.9787452816963196,
|
| 46 |
+
"num_residues": 109,
|
| 47 |
+
"num_cdr_residues": 31
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 496,
|
| 51 |
+
"num_gt_atoms": 496,
|
| 52 |
+
"num_aligned_atoms": 496
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 440,
|
| 56 |
+
"num_gt_atoms": 436,
|
| 57 |
+
"num_aligned_atoms": 436
|
| 58 |
+
}
|
| 59 |
+
}
|
8r40_A_a_C_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r40_A_a_C_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 16.319194793701172,
|
| 7 |
+
"cdr": 2.8693854808807373,
|
| 8 |
+
"framework": 14.591318130493164,
|
| 9 |
+
"cdr_fw_aligned": 30.91128635406494
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 3812,
|
| 12 |
+
"num_gt_atoms": 3632,
|
| 13 |
+
"num_aligned_atoms": 3332,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.8740818467995802,
|
| 16 |
+
"gt_coverage": 0.9174008810572687,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "A",
|
| 21 |
+
"total": 16.319194793701172,
|
| 22 |
+
"cdr": 3.9302937984466553,
|
| 23 |
+
"framework": 14.657450675964355,
|
| 24 |
+
"cdr_fw_aligned": 30.880098342895508,
|
| 25 |
+
"cdr1": 2.3752121925354004,
|
| 26 |
+
"cdr2": 0.5534377098083496,
|
| 27 |
+
"cdr3": 4.142953395843506,
|
| 28 |
+
"cdr1_fw_aligned": 28.29277992248535,
|
| 29 |
+
"cdr2_fw_aligned": 26.809696197509766,
|
| 30 |
+
"cdr3_fw_aligned": 32.98057556152344,
|
| 31 |
+
"num_residues": 242,
|
| 32 |
+
"num_cdr_residues": 31
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "A",
|
| 36 |
+
"total": 16.319194793701172,
|
| 37 |
+
"cdr": 1.8084771633148193,
|
| 38 |
+
"framework": 14.525185585021973,
|
| 39 |
+
"cdr_fw_aligned": 30.942474365234375,
|
| 40 |
+
"cdr1": 0.5539068579673767,
|
| 41 |
+
"cdr2": 0.41676270961761475,
|
| 42 |
+
"cdr3": 2.499509334564209,
|
| 43 |
+
"cdr1_fw_aligned": 31.58989143371582,
|
| 44 |
+
"cdr2_fw_aligned": 30.91642189025879,
|
| 45 |
+
"cdr3_fw_aligned": 30.21273422241211,
|
| 46 |
+
"num_residues": 242,
|
| 47 |
+
"num_cdr_residues": 33
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 1906,
|
| 51 |
+
"num_gt_atoms": 1816,
|
| 52 |
+
"num_aligned_atoms": 1666
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 1906,
|
| 56 |
+
"num_gt_atoms": 1816,
|
| 57 |
+
"num_aligned_atoms": 1666
|
| 58 |
+
}
|
| 59 |
+
}
|
8r40_A_a_C_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r40_A_a_C_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 16.555299758911133,
|
| 7 |
+
"cdr": 2.5821732878684998,
|
| 8 |
+
"framework": 14.71160888671875,
|
| 9 |
+
"cdr_fw_aligned": 32.03648662567139
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 3812,
|
| 12 |
+
"num_gt_atoms": 3632,
|
| 13 |
+
"num_aligned_atoms": 3332,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.8740818467995802,
|
| 16 |
+
"gt_coverage": 0.9174008810572687,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "A",
|
| 21 |
+
"total": 16.555299758911133,
|
| 22 |
+
"cdr": 3.5005996227264404,
|
| 23 |
+
"framework": 14.7700777053833,
|
| 24 |
+
"cdr_fw_aligned": 32.11235809326172,
|
| 25 |
+
"cdr1": 2.680682897567749,
|
| 26 |
+
"cdr2": 0.6672539114952087,
|
| 27 |
+
"cdr3": 3.2621989250183105,
|
| 28 |
+
"cdr1_fw_aligned": 28.247343063354492,
|
| 29 |
+
"cdr2_fw_aligned": 26.772775650024414,
|
| 30 |
+
"cdr3_fw_aligned": 34.94683074951172,
|
| 31 |
+
"num_residues": 242,
|
| 32 |
+
"num_cdr_residues": 31
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "A",
|
| 36 |
+
"total": 16.555299758911133,
|
| 37 |
+
"cdr": 1.663746953010559,
|
| 38 |
+
"framework": 14.6531400680542,
|
| 39 |
+
"cdr_fw_aligned": 31.960615158081055,
|
| 40 |
+
"cdr1": 0.5169928073883057,
|
| 41 |
+
"cdr2": 0.48262420296669006,
|
| 42 |
+
"cdr3": 2.0993642807006836,
|
| 43 |
+
"cdr1_fw_aligned": 32.65497970581055,
|
| 44 |
+
"cdr2_fw_aligned": 31.35564422607422,
|
| 45 |
+
"cdr3_fw_aligned": 31.537736892700195,
|
| 46 |
+
"num_residues": 242,
|
| 47 |
+
"num_cdr_residues": 33
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 1906,
|
| 51 |
+
"num_gt_atoms": 1816,
|
| 52 |
+
"num_aligned_atoms": 1666
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 1906,
|
| 56 |
+
"num_gt_atoms": 1816,
|
| 57 |
+
"num_aligned_atoms": 1666
|
| 58 |
+
}
|
| 59 |
+
}
|
8r40_A_a_C_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r40_A_a_C_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 17.033998489379883,
|
| 7 |
+
"cdr": 2.195101320743561,
|
| 8 |
+
"framework": 14.649837493896484,
|
| 9 |
+
"cdr_fw_aligned": 33.18353843688965
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 2096,
|
| 12 |
+
"num_gt_atoms": 1936,
|
| 13 |
+
"num_aligned_atoms": 1936,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9236641221374046,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "A",
|
| 21 |
+
"total": 17.033998489379883,
|
| 22 |
+
"cdr": 3.0666298866271973,
|
| 23 |
+
"framework": 14.613870620727539,
|
| 24 |
+
"cdr_fw_aligned": 33.935760498046875,
|
| 25 |
+
"cdr1": 1.780809998512268,
|
| 26 |
+
"cdr2": 0.3709370195865631,
|
| 27 |
+
"cdr3": 2.8580756187438965,
|
| 28 |
+
"cdr1_fw_aligned": 29.97514533996582,
|
| 29 |
+
"cdr2_fw_aligned": 28.07075309753418,
|
| 30 |
+
"cdr3_fw_aligned": 37.03102111816406,
|
| 31 |
+
"num_residues": 242,
|
| 32 |
+
"num_cdr_residues": 31
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "A",
|
| 36 |
+
"total": 17.033998489379883,
|
| 37 |
+
"cdr": 1.3235727548599243,
|
| 38 |
+
"framework": 14.68580436706543,
|
| 39 |
+
"cdr_fw_aligned": 32.43131637573242,
|
| 40 |
+
"cdr1": 0.4407006502151489,
|
| 41 |
+
"cdr2": 0.27050361037254333,
|
| 42 |
+
"cdr3": 1.6419544219970703,
|
| 43 |
+
"cdr1_fw_aligned": 33.061241149902344,
|
| 44 |
+
"cdr2_fw_aligned": 31.901262283325195,
|
| 45 |
+
"cdr3_fw_aligned": 31.992969512939453,
|
| 46 |
+
"num_residues": 242,
|
| 47 |
+
"num_cdr_residues": 33
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 1048,
|
| 51 |
+
"num_gt_atoms": 968,
|
| 52 |
+
"num_aligned_atoms": 968
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 1048,
|
| 56 |
+
"num_gt_atoms": 968,
|
| 57 |
+
"num_aligned_atoms": 968
|
| 58 |
+
}
|
| 59 |
+
}
|
8r40_A_a_C_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r40_A_a_C_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 16.124780654907227,
|
| 7 |
+
"cdr": 2.527275860309601,
|
| 8 |
+
"framework": 14.49767780303955,
|
| 9 |
+
"cdr_fw_aligned": 30.143546104431152
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 3812,
|
| 12 |
+
"num_gt_atoms": 3632,
|
| 13 |
+
"num_aligned_atoms": 3332,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.8740818467995802,
|
| 16 |
+
"gt_coverage": 0.9174008810572687,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "A",
|
| 21 |
+
"total": 16.124780654907227,
|
| 22 |
+
"cdr": 3.3772807121276855,
|
| 23 |
+
"framework": 14.632532119750977,
|
| 24 |
+
"cdr_fw_aligned": 29.789043426513672,
|
| 25 |
+
"cdr1": 2.448359251022339,
|
| 26 |
+
"cdr2": 0.6640218496322632,
|
| 27 |
+
"cdr3": 3.426872730255127,
|
| 28 |
+
"cdr1_fw_aligned": 27.65637969970703,
|
| 29 |
+
"cdr2_fw_aligned": 26.859729766845703,
|
| 30 |
+
"cdr3_fw_aligned": 31.42415428161621,
|
| 31 |
+
"num_residues": 242,
|
| 32 |
+
"num_cdr_residues": 31
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "A",
|
| 36 |
+
"total": 16.124780654907227,
|
| 37 |
+
"cdr": 1.6772710084915161,
|
| 38 |
+
"framework": 14.362823486328125,
|
| 39 |
+
"cdr_fw_aligned": 30.498048782348633,
|
| 40 |
+
"cdr1": 0.4885995090007782,
|
| 41 |
+
"cdr2": 0.5117262601852417,
|
| 42 |
+
"cdr3": 2.2021937370300293,
|
| 43 |
+
"cdr1_fw_aligned": 31.113731384277344,
|
| 44 |
+
"cdr2_fw_aligned": 31.042085647583008,
|
| 45 |
+
"cdr3_fw_aligned": 29.439010620117188,
|
| 46 |
+
"num_residues": 242,
|
| 47 |
+
"num_cdr_residues": 33
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 1906,
|
| 51 |
+
"num_gt_atoms": 1816,
|
| 52 |
+
"num_aligned_atoms": 1666
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 1906,
|
| 56 |
+
"num_gt_atoms": 1816,
|
| 57 |
+
"num_aligned_atoms": 1666
|
| 58 |
+
}
|
| 59 |
+
}
|
8r80_H_L_R_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r80_H_L_R_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.5104554295539856,
|
| 7 |
+
"cdr": 1.8766563832759857,
|
| 8 |
+
"framework": 1.3869194984436035,
|
| 9 |
+
"cdr_fw_aligned": 2.498051345348358
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 3256,
|
| 12 |
+
"num_gt_atoms": 3268,
|
| 13 |
+
"num_aligned_atoms": 3160,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9705159705159705,
|
| 16 |
+
"gt_coverage": 0.966952264381885,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.714360237121582,
|
| 22 |
+
"cdr": 2.9515795707702637,
|
| 23 |
+
"framework": 1.4598017930984497,
|
| 24 |
+
"cdr_fw_aligned": 3.676910161972046,
|
| 25 |
+
"cdr1": 0.3933165967464447,
|
| 26 |
+
"cdr2": 0.36271268129348755,
|
| 27 |
+
"cdr3": 3.2641687393188477,
|
| 28 |
+
"cdr1_fw_aligned": 2.26322078704834,
|
| 29 |
+
"cdr2_fw_aligned": 2.284118175506592,
|
| 30 |
+
"cdr3_fw_aligned": 4.775770664215088,
|
| 31 |
+
"num_residues": 220,
|
| 32 |
+
"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 1.3065506219863892,
|
| 37 |
+
"cdr": 0.8017331957817078,
|
| 38 |
+
"framework": 1.3140372037887573,
|
| 39 |
+
"cdr_fw_aligned": 1.3191925287246704,
|
| 40 |
+
"cdr1": 0.5315659046173096,
|
| 41 |
+
"cdr2": 0.44729143381118774,
|
| 42 |
+
"cdr3": 0.8735150694847107,
|
| 43 |
+
"cdr1_fw_aligned": 1.4352997541427612,
|
| 44 |
+
"cdr2_fw_aligned": 1.4396430253982544,
|
| 45 |
+
"cdr3_fw_aligned": 1.050498604774475,
|
| 46 |
+
"num_residues": 214,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 1643,
|
| 51 |
+
"num_gt_atoms": 1615,
|
| 52 |
+
"num_aligned_atoms": 1573
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 1613,
|
| 56 |
+
"num_gt_atoms": 1653,
|
| 57 |
+
"num_aligned_atoms": 1587
|
| 58 |
+
}
|
| 59 |
+
}
|
8r80_H_L_R_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r80_H_L_R_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.4737694263458252,
|
| 7 |
+
"cdr": 1.888594627380371,
|
| 8 |
+
"framework": 1.3386876583099365,
|
| 9 |
+
"cdr_fw_aligned": 2.5491495728492737
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 3256,
|
| 12 |
+
"num_gt_atoms": 3268,
|
| 13 |
+
"num_aligned_atoms": 3160,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9705159705159705,
|
| 16 |
+
"gt_coverage": 0.966952264381885,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.6566483974456787,
|
| 22 |
+
"cdr": 2.952709197998047,
|
| 23 |
+
"framework": 1.3923808336257935,
|
| 24 |
+
"cdr_fw_aligned": 3.6434760093688965,
|
| 25 |
+
"cdr1": 0.496105819940567,
|
| 26 |
+
"cdr2": 0.3751482665538788,
|
| 27 |
+
"cdr3": 3.3019731044769287,
|
| 28 |
+
"cdr1_fw_aligned": 2.5470147132873535,
|
| 29 |
+
"cdr2_fw_aligned": 2.2635738849639893,
|
| 30 |
+
"cdr3_fw_aligned": 4.628472328186035,
|
| 31 |
+
"num_residues": 220,
|
| 32 |
+
"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 1.2908904552459717,
|
| 37 |
+
"cdr": 0.8244800567626953,
|
| 38 |
+
"framework": 1.2849944829940796,
|
| 39 |
+
"cdr_fw_aligned": 1.4548231363296509,
|
| 40 |
+
"cdr1": 0.4878641963005066,
|
| 41 |
+
"cdr2": 0.4600374698638916,
|
| 42 |
+
"cdr3": 0.9597868323326111,
|
| 43 |
+
"cdr1_fw_aligned": 1.5092058181762695,
|
| 44 |
+
"cdr2_fw_aligned": 1.4692926406860352,
|
| 45 |
+
"cdr3_fw_aligned": 1.374571442604065,
|
| 46 |
+
"num_residues": 214,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 1643,
|
| 51 |
+
"num_gt_atoms": 1615,
|
| 52 |
+
"num_aligned_atoms": 1573
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 1613,
|
| 56 |
+
"num_gt_atoms": 1653,
|
| 57 |
+
"num_aligned_atoms": 1587
|
| 58 |
+
}
|
| 59 |
+
}
|
8r9y_H_L_A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r9y_H_L_A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.9940956830978394,
|
| 7 |
+
"cdr": 0.9818619787693024,
|
| 8 |
+
"framework": 1.8617796301841736,
|
| 9 |
+
"cdr_fw_aligned": 3.060203194618225
|
| 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": "H",
|
| 21 |
+
"total": 2.181166172027588,
|
| 22 |
+
"cdr": 1.3104208707809448,
|
| 23 |
+
"framework": 2.028712749481201,
|
| 24 |
+
"cdr_fw_aligned": 3.3420217037200928,
|
| 25 |
+
"cdr1": 0.38444527983665466,
|
| 26 |
+
"cdr2": 1.055954933166504,
|
| 27 |
+
"cdr3": 1.432679295539856,
|
| 28 |
+
"cdr1_fw_aligned": 3.5620789527893066,
|
| 29 |
+
"cdr2_fw_aligned": 3.7537472248077393,
|
| 30 |
+
"cdr3_fw_aligned": 2.970194101333618,
|
| 31 |
+
"num_residues": 219,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 1.8070251941680908,
|
| 37 |
+
"cdr": 0.6533030867576599,
|
| 38 |
+
"framework": 1.694846510887146,
|
| 39 |
+
"cdr_fw_aligned": 2.7783846855163574,
|
| 40 |
+
"cdr1": 0.6901459693908691,
|
| 41 |
+
"cdr2": 0.28614550828933716,
|
| 42 |
+
"cdr3": 0.4496580958366394,
|
| 43 |
+
"cdr1_fw_aligned": 3.2647507190704346,
|
| 44 |
+
"cdr2_fw_aligned": 2.7446959018707275,
|
| 45 |
+
"cdr3_fw_aligned": 2.066786050796509,
|
| 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 |
+
}
|
8r9y_H_L_A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r9y_H_L_A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 0.9281833469867706,
|
| 7 |
+
"cdr": 0.9463158249855042,
|
| 8 |
+
"framework": 0.8792386054992676,
|
| 9 |
+
"cdr_fw_aligned": 1.3098080158233643
|
| 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": "H",
|
| 21 |
+
"total": 1.1180884838104248,
|
| 22 |
+
"cdr": 1.2583333253860474,
|
| 23 |
+
"framework": 1.0731161832809448,
|
| 24 |
+
"cdr_fw_aligned": 1.456337332725525,
|
| 25 |
+
"cdr1": 0.4900609254837036,
|
| 26 |
+
"cdr2": 0.97431480884552,
|
| 27 |
+
"cdr3": 1.1448734998703003,
|
| 28 |
+
"cdr1_fw_aligned": 1.295265793800354,
|
| 29 |
+
"cdr2_fw_aligned": 1.3192648887634277,
|
| 30 |
+
"cdr3_fw_aligned": 1.6030216217041016,
|
| 31 |
+
"num_residues": 219,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 0.7382782101631165,
|
| 37 |
+
"cdr": 0.6342983245849609,
|
| 38 |
+
"framework": 0.6853610277175903,
|
| 39 |
+
"cdr_fw_aligned": 1.1632786989212036,
|
| 40 |
+
"cdr1": 0.6512355208396912,
|
| 41 |
+
"cdr2": 0.34903913736343384,
|
| 42 |
+
"cdr3": 0.29502540826797485,
|
| 43 |
+
"cdr1_fw_aligned": 1.0786516666412354,
|
| 44 |
+
"cdr2_fw_aligned": 0.7562958002090454,
|
| 45 |
+
"cdr3_fw_aligned": 1.4807769060134888,
|
| 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 |
+
}
|
8r9z_B_C_A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r9z_B_C_A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.426977127790451,
|
| 7 |
+
"cdr": 1.814925491809845,
|
| 8 |
+
"framework": 1.2459504008293152,
|
| 9 |
+
"cdr_fw_aligned": 2.3874765634536743
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1708,
|
| 12 |
+
"num_gt_atoms": 1708,
|
| 13 |
+
"num_aligned_atoms": 1708,
|
| 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": 2.006150007247925,
|
| 22 |
+
"cdr": 3.085432767868042,
|
| 23 |
+
"framework": 1.6598669290542603,
|
| 24 |
+
"cdr_fw_aligned": 3.7086260318756104,
|
| 25 |
+
"cdr1": 1.6118448972702026,
|
| 26 |
+
"cdr2": 0.23952724039554596,
|
| 27 |
+
"cdr3": 2.586803674697876,
|
| 28 |
+
"cdr1_fw_aligned": 2.7587878704071045,
|
| 29 |
+
"cdr2_fw_aligned": 1.2222518920898438,
|
| 30 |
+
"cdr3_fw_aligned": 4.698907375335693,
|
| 31 |
+
"num_residues": 218,
|
| 32 |
+
"num_cdr_residues": 27
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "C",
|
| 36 |
+
"total": 0.8478042483329773,
|
| 37 |
+
"cdr": 0.544418215751648,
|
| 38 |
+
"framework": 0.8320338726043701,
|
| 39 |
+
"cdr_fw_aligned": 1.0663270950317383,
|
| 40 |
+
"cdr1": 0.6859922409057617,
|
| 41 |
+
"cdr2": 0.26291805505752563,
|
| 42 |
+
"cdr3": 0.3685210049152374,
|
| 43 |
+
"cdr1_fw_aligned": 1.1412534713745117,
|
| 44 |
+
"cdr2_fw_aligned": 0.8079136610031128,
|
| 45 |
+
"cdr3_fw_aligned": 1.1452455520629883,
|
| 46 |
+
"num_residues": 209,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 872,
|
| 51 |
+
"num_gt_atoms": 872,
|
| 52 |
+
"num_aligned_atoms": 872
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 836,
|
| 56 |
+
"num_gt_atoms": 836,
|
| 57 |
+
"num_aligned_atoms": 836
|
| 58 |
+
}
|
| 59 |
+
}
|
8r9z_H_L_A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r9z_H_L_A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.9645723104476929,
|
| 7 |
+
"cdr": 0.9580890834331512,
|
| 8 |
+
"framework": 1.8350933194160461,
|
| 9 |
+
"cdr_fw_aligned": 3.0478005409240723
|
| 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": "H",
|
| 21 |
+
"total": 1.9116570949554443,
|
| 22 |
+
"cdr": 1.3660064935684204,
|
| 23 |
+
"framework": 1.7506170272827148,
|
| 24 |
+
"cdr_fw_aligned": 3.1936097145080566,
|
| 25 |
+
"cdr1": 0.3313455879688263,
|
| 26 |
+
"cdr2": 0.95352703332901,
|
| 27 |
+
"cdr3": 1.343163251876831,
|
| 28 |
+
"cdr1_fw_aligned": 3.1530017852783203,
|
| 29 |
+
"cdr2_fw_aligned": 3.2888123989105225,
|
| 30 |
+
"cdr3_fw_aligned": 3.1687326431274414,
|
| 31 |
+
"num_residues": 219,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 2.0174875259399414,
|
| 37 |
+
"cdr": 0.5501716732978821,
|
| 38 |
+
"framework": 1.9195696115493774,
|
| 39 |
+
"cdr_fw_aligned": 2.901991367340088,
|
| 40 |
+
"cdr1": 0.6128498315811157,
|
| 41 |
+
"cdr2": 0.26274555921554565,
|
| 42 |
+
"cdr3": 0.32445427775382996,
|
| 43 |
+
"cdr1_fw_aligned": 3.555527925491333,
|
| 44 |
+
"cdr2_fw_aligned": 2.708796262741089,
|
| 45 |
+
"cdr3_fw_aligned": 2.026468515396118,
|
| 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 |
+
}
|
8rrn_H_L_A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8rrn_H_L_A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 6.27219295501709,
|
| 7 |
+
"cdr": 2.4189040660858154,
|
| 8 |
+
"framework": 5.803707838058472,
|
| 9 |
+
"cdr_fw_aligned": 10.383301258087158
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 3298,
|
| 12 |
+
"num_gt_atoms": 3226,
|
| 13 |
+
"num_aligned_atoms": 3104,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9411764705882353,
|
| 16 |
+
"gt_coverage": 0.9621822690638562,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 5.830409526824951,
|
| 22 |
+
"cdr": 4.052042007446289,
|
| 23 |
+
"framework": 5.576395034790039,
|
| 24 |
+
"cdr_fw_aligned": 8.575575828552246,
|
| 25 |
+
"cdr1": 1.9190514087677002,
|
| 26 |
+
"cdr2": 0.5956453680992126,
|
| 27 |
+
"cdr3": 4.0664963722229,
|
| 28 |
+
"cdr1_fw_aligned": 10.656230926513672,
|
| 29 |
+
"cdr2_fw_aligned": 9.425034523010254,
|
| 30 |
+
"cdr3_fw_aligned": 7.072519302368164,
|
| 31 |
+
"num_residues": 224,
|
| 32 |
+
"num_cdr_residues": 28
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 6.7139763832092285,
|
| 37 |
+
"cdr": 0.7857661247253418,
|
| 38 |
+
"framework": 6.031020641326904,
|
| 39 |
+
"cdr_fw_aligned": 12.19102668762207,
|
| 40 |
+
"cdr1": 0.6902904510498047,
|
| 41 |
+
"cdr2": 0.8601705431938171,
|
| 42 |
+
"cdr3": 0.5378404855728149,
|
| 43 |
+
"cdr1_fw_aligned": 13.213237762451172,
|
| 44 |
+
"cdr2_fw_aligned": 9.289751052856445,
|
| 45 |
+
"cdr3_fw_aligned": 12.616764068603516,
|
| 46 |
+
"num_residues": 213,
|
| 47 |
+
"num_cdr_residues": 32
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 1711,
|
| 51 |
+
"num_gt_atoms": 1651,
|
| 52 |
+
"num_aligned_atoms": 1588
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 1587,
|
| 56 |
+
"num_gt_atoms": 1575,
|
| 57 |
+
"num_aligned_atoms": 1516
|
| 58 |
+
}
|
| 59 |
+
}
|
8rz1_A_a_B_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8rz1_A_a_B_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 0.7280085682868958,
|
| 7 |
+
"cdr": 0.7936868965625763,
|
| 8 |
+
"framework": 0.6851324141025543,
|
| 9 |
+
"cdr_fw_aligned": 0.9954447448253632
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 2280,
|
| 12 |
+
"num_gt_atoms": 1824,
|
| 13 |
+
"num_aligned_atoms": 1824,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.8,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "A",
|
| 21 |
+
"total": 0.7280085682868958,
|
| 22 |
+
"cdr": 1.2151046991348267,
|
| 23 |
+
"framework": 0.6242131590843201,
|
| 24 |
+
"cdr_fw_aligned": 1.3314924240112305,
|
| 25 |
+
"cdr1": 0.196868896484375,
|
| 26 |
+
"cdr2": 0.3509519100189209,
|
| 27 |
+
"cdr3": 1.5139765739440918,
|
| 28 |
+
"cdr1_fw_aligned": 0.9139464497566223,
|
| 29 |
+
"cdr2_fw_aligned": 0.932623565196991,
|
| 30 |
+
"cdr3_fw_aligned": 1.691773533821106,
|
| 31 |
+
"num_residues": 228,
|
| 32 |
+
"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "A",
|
| 36 |
+
"total": 0.7280085682868958,
|
| 37 |
+
"cdr": 0.3722690939903259,
|
| 38 |
+
"framework": 0.7460516691207886,
|
| 39 |
+
"cdr_fw_aligned": 0.6593970656394958,
|
| 40 |
+
"cdr1": 0.2613643705844879,
|
| 41 |
+
"cdr2": 0.20877644419670105,
|
| 42 |
+
"cdr3": 0.27313610911369324,
|
| 43 |
+
"cdr1_fw_aligned": 0.5468092560768127,
|
| 44 |
+
"cdr2_fw_aligned": 0.5383011698722839,
|
| 45 |
+
"cdr3_fw_aligned": 0.8292117118835449,
|
| 46 |
+
"num_residues": 228,
|
| 47 |
+
"num_cdr_residues": 31
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 1140,
|
| 51 |
+
"num_gt_atoms": 912,
|
| 52 |
+
"num_aligned_atoms": 912
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 1140,
|
| 56 |
+
"num_gt_atoms": 912,
|
| 57 |
+
"num_aligned_atoms": 912
|
| 58 |
+
}
|
| 59 |
+
}
|
8rz2_B_C_A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8rz2_B_C_A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 9.22729778289795,
|
| 7 |
+
"cdr": 0.8494716882705688,
|
| 8 |
+
"framework": 8.794085502624512,
|
| 9 |
+
"cdr_fw_aligned": 13.379556655883789
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1964,
|
| 12 |
+
"num_gt_atoms": 1704,
|
| 13 |
+
"num_aligned_atoms": 1704,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.8676171079429735,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
+
"total": 9.457610130310059,
|
| 22 |
+
"cdr": 1.2340309619903564,
|
| 23 |
+
"framework": 9.261407852172852,
|
| 24 |
+
"cdr_fw_aligned": 12.20772933959961,
|
| 25 |
+
"cdr1": 0.2845626473426819,
|
| 26 |
+
"cdr2": 0.39243823289871216,
|
| 27 |
+
"cdr3": 1.5096421241760254,
|
| 28 |
+
"cdr1_fw_aligned": 15.677156448364258,
|
| 29 |
+
"cdr2_fw_aligned": 13.583518028259277,
|
| 30 |
+
"cdr3_fw_aligned": 8.252846717834473,
|
| 31 |
+
"num_residues": 215,
|
| 32 |
+
"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "C",
|
| 36 |
+
"total": 8.99698543548584,
|
| 37 |
+
"cdr": 0.46491241455078125,
|
| 38 |
+
"framework": 8.326763153076172,
|
| 39 |
+
"cdr_fw_aligned": 14.551383972167969,
|
| 40 |
+
"cdr1": 0.3991338908672333,
|
| 41 |
+
"cdr2": 0.24484696984291077,
|
| 42 |
+
"cdr3": 0.3813454806804657,
|
| 43 |
+
"cdr1_fw_aligned": 16.313623428344727,
|
| 44 |
+
"cdr2_fw_aligned": 11.393393516540527,
|
| 45 |
+
"cdr3_fw_aligned": 14.128042221069336,
|
| 46 |
+
"num_residues": 211,
|
| 47 |
+
"num_cdr_residues": 31
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 1024,
|
| 51 |
+
"num_gt_atoms": 860,
|
| 52 |
+
"num_aligned_atoms": 860
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 940,
|
| 56 |
+
"num_gt_atoms": 844,
|
| 57 |
+
"num_aligned_atoms": 844
|
| 58 |
+
}
|
| 59 |
+
}
|
8s0l_B__A_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8s0l_B__A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.6220519542694092,
|
| 7 |
+
"cdr": 2.7021632194519043,
|
| 8 |
+
"framework": 1.1096830368041992,
|
| 9 |
+
"cdr_fw_aligned": 3.000906229019165
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1087,
|
| 12 |
+
"num_gt_atoms": 991,
|
| 13 |
+
"num_aligned_atoms": 916,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.8426862925482981,
|
| 16 |
+
"gt_coverage": 0.9243188698284561,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
+
"total": 1.6220519542694092,
|
| 22 |
+
"cdr": 2.7021632194519043,
|
| 23 |
+
"framework": 1.1096830368041992,
|
| 24 |
+
"cdr_fw_aligned": 3.000906229019165,
|
| 25 |
+
"cdr1": 0.6213784217834473,
|
| 26 |
+
"cdr2": 0.6211732625961304,
|
| 27 |
+
"cdr3": 3.3916656970977783,
|
| 28 |
+
"cdr1_fw_aligned": 0.8682159185409546,
|
| 29 |
+
"cdr2_fw_aligned": 0.8676790595054626,
|
| 30 |
+
"cdr3_fw_aligned": 3.8540847301483154,
|
| 31 |
+
"num_residues": 130,
|
| 32 |
+
"num_cdr_residues": 32
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 1087,
|
| 36 |
+
"num_gt_atoms": 991,
|
| 37 |
+
"num_aligned_atoms": 916
|
| 38 |
+
}
|
| 39 |
+
}
|
8s5w_B__A_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8s5w_B__A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 2.80250883102417,
|
| 7 |
+
"cdr": 4.771245002746582,
|
| 8 |
+
"framework": 1.3260345458984375,
|
| 9 |
+
"cdr_fw_aligned": 6.59840202331543
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1051,
|
| 12 |
+
"num_gt_atoms": 935,
|
| 13 |
+
"num_aligned_atoms": 870,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.8277830637488106,
|
| 16 |
+
"gt_coverage": 0.93048128342246,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
+
"total": 2.80250883102417,
|
| 22 |
+
"cdr": 4.771245002746582,
|
| 23 |
+
"framework": 1.3260345458984375,
|
| 24 |
+
"cdr_fw_aligned": 6.59840202331543,
|
| 25 |
+
"cdr1": 3.110027313232422,
|
| 26 |
+
"cdr2": 1.9173377752304077,
|
| 27 |
+
"cdr3": 3.66848087310791,
|
| 28 |
+
"cdr1_fw_aligned": 4.728173732757568,
|
| 29 |
+
"cdr2_fw_aligned": 2.5467021465301514,
|
| 30 |
+
"cdr3_fw_aligned": 8.2952299118042,
|
| 31 |
+
"num_residues": 122,
|
| 32 |
+
"num_cdr_residues": 27
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 1051,
|
| 36 |
+
"num_gt_atoms": 935,
|
| 37 |
+
"num_aligned_atoms": 870
|
| 38 |
+
}
|
| 39 |
+
}
|
8scx_H_L_C_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8scx_H_L_C_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 0.9362601935863495,
|
| 7 |
+
"cdr": 0.711441308259964,
|
| 8 |
+
"framework": 0.9659464955329895,
|
| 9 |
+
"cdr_fw_aligned": 0.8295340240001678
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 3561,
|
| 12 |
+
"num_gt_atoms": 1738,
|
| 13 |
+
"num_aligned_atoms": 1614,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.45324347093513057,
|
| 16 |
+
"gt_coverage": 0.9286536248561565,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.028195858001709,
|
| 22 |
+
"cdr": 0.8226722478866577,
|
| 23 |
+
"framework": 1.0335890054702759,
|
| 24 |
+
"cdr_fw_aligned": 1.0431495904922485,
|
| 25 |
+
"cdr1": 0.44048672914505005,
|
| 26 |
+
"cdr2": 0.46653395891189575,
|
| 27 |
+
"cdr3": 0.5124483108520508,
|
| 28 |
+
"cdr1_fw_aligned": 0.8142598867416382,
|
| 29 |
+
"cdr2_fw_aligned": 1.3239655494689941,
|
| 30 |
+
"cdr3_fw_aligned": 1.0412158966064453,
|
| 31 |
+
"num_residues": 117,
|
| 32 |
+
"num_cdr_residues": 21
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 0.84432452917099,
|
| 37 |
+
"cdr": 0.6002103686332703,
|
| 38 |
+
"framework": 0.8983039855957031,
|
| 39 |
+
"cdr_fw_aligned": 0.6159184575080872,
|
| 40 |
+
"cdr1": 0.5637173652648926,
|
| 41 |
+
"cdr2": 0.4330936670303345,
|
| 42 |
+
"cdr3": 0.36035507917404175,
|
| 43 |
+
"cdr1_fw_aligned": 0.6420602202415466,
|
| 44 |
+
"cdr2_fw_aligned": 0.5148667097091675,
|
| 45 |
+
"cdr3_fw_aligned": 0.6389719843864441,
|
| 46 |
+
"num_residues": 111,
|
| 47 |
+
"num_cdr_residues": 31
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 1755,
|
| 51 |
+
"num_gt_atoms": 901,
|
| 52 |
+
"num_aligned_atoms": 846
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 1806,
|
| 56 |
+
"num_gt_atoms": 837,
|
| 57 |
+
"num_aligned_atoms": 768
|
| 58 |
+
}
|
| 59 |
+
}
|
8sdg_G_I_C_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sdg_G_I_C_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 2.0359469652175903,
|
| 7 |
+
"cdr": 3.4707263708114624,
|
| 8 |
+
"framework": 1.6768107414245605,
|
| 9 |
+
"cdr_fw_aligned": 4.099027395248413
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 3279,
|
| 12 |
+
"num_gt_atoms": 3268,
|
| 13 |
+
"num_aligned_atoms": 3141,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9579139981701739,
|
| 16 |
+
"gt_coverage": 0.9611383108935129,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "G",
|
| 21 |
+
"total": 2.4414522647857666,
|
| 22 |
+
"cdr": 5.225208759307861,
|
| 23 |
+
"framework": 1.8615463972091675,
|
| 24 |
+
"cdr_fw_aligned": 5.450803756713867,
|
| 25 |
+
"cdr1": 0.6521246433258057,
|
| 26 |
+
"cdr2": 2.645308256149292,
|
| 27 |
+
"cdr3": 3.9798781871795654,
|
| 28 |
+
"cdr1_fw_aligned": 2.0348637104034424,
|
| 29 |
+
"cdr2_fw_aligned": 4.144758224487305,
|
| 30 |
+
"cdr3_fw_aligned": 7.10706090927124,
|
| 31 |
+
"num_residues": 219,
|
| 32 |
+
"num_cdr_residues": 28
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "I",
|
| 36 |
+
"total": 1.630441665649414,
|
| 37 |
+
"cdr": 1.7162439823150635,
|
| 38 |
+
"framework": 1.4920750856399536,
|
| 39 |
+
"cdr_fw_aligned": 2.747251033782959,
|
| 40 |
+
"cdr1": 0.49404311180114746,
|
| 41 |
+
"cdr2": 0.4071654677391052,
|
| 42 |
+
"cdr3": 2.534433364868164,
|
| 43 |
+
"cdr1_fw_aligned": 1.828545331954956,
|
| 44 |
+
"cdr2_fw_aligned": 1.7420601844787598,
|
| 45 |
+
"cdr3_fw_aligned": 3.801203489303589,
|
| 46 |
+
"num_residues": 213,
|
| 47 |
+
"num_cdr_residues": 29
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 1658,
|
| 51 |
+
"num_gt_atoms": 1635,
|
| 52 |
+
"num_aligned_atoms": 1572
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 1621,
|
| 56 |
+
"num_gt_atoms": 1633,
|
| 57 |
+
"num_aligned_atoms": 1569
|
| 58 |
+
}
|
| 59 |
+
}
|
8sdg_G_I_C_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sdg_G_I_C_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.7214352488517761,
|
| 7 |
+
"cdr": 2.840162217617035,
|
| 8 |
+
"framework": 1.451444923877716,
|
| 9 |
+
"cdr_fw_aligned": 3.2907713651657104
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 3279,
|
| 12 |
+
"num_gt_atoms": 3268,
|
| 13 |
+
"num_aligned_atoms": 3141,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9579139981701739,
|
| 16 |
+
"gt_coverage": 0.9611383108935129,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "G",
|
| 21 |
+
"total": 1.8615102767944336,
|
| 22 |
+
"cdr": 3.749197483062744,
|
| 23 |
+
"framework": 1.4575132131576538,
|
| 24 |
+
"cdr_fw_aligned": 4.012606620788574,
|
| 25 |
+
"cdr1": 0.6141752600669861,
|
| 26 |
+
"cdr2": 0.46705305576324463,
|
| 27 |
+
"cdr3": 3.9174506664276123,
|
| 28 |
+
"cdr1_fw_aligned": 1.2642141580581665,
|
| 29 |
+
"cdr2_fw_aligned": 0.9426343441009521,
|
| 30 |
+
"cdr3_fw_aligned": 5.731517314910889,
|
| 31 |
+
"num_residues": 219,
|
| 32 |
+
"num_cdr_residues": 28
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "I",
|
| 36 |
+
"total": 1.5813602209091187,
|
| 37 |
+
"cdr": 1.9311269521713257,
|
| 38 |
+
"framework": 1.4453766345977783,
|
| 39 |
+
"cdr_fw_aligned": 2.5689361095428467,
|
| 40 |
+
"cdr1": 0.537944495677948,
|
| 41 |
+
"cdr2": 0.35942015051841736,
|
| 42 |
+
"cdr3": 2.5552191734313965,
|
| 43 |
+
"cdr1_fw_aligned": 1.6002027988433838,
|
| 44 |
+
"cdr2_fw_aligned": 1.5159341096878052,
|
| 45 |
+
"cdr3_fw_aligned": 3.6344645023345947,
|
| 46 |
+
"num_residues": 213,
|
| 47 |
+
"num_cdr_residues": 29
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 1658,
|
| 51 |
+
"num_gt_atoms": 1635,
|
| 52 |
+
"num_aligned_atoms": 1572
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 1621,
|
| 56 |
+
"num_gt_atoms": 1633,
|
| 57 |
+
"num_aligned_atoms": 1569
|
| 58 |
+
}
|
| 59 |
+
}
|
8sfx_D__B_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sfx_D__B_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 0.706179141998291,
|
| 7 |
+
"cdr": 0.5536345839500427,
|
| 8 |
+
"framework": 0.6678528785705566,
|
| 9 |
+
"cdr_fw_aligned": 0.9498264193534851
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 568,
|
| 12 |
+
"num_gt_atoms": 480,
|
| 13 |
+
"num_aligned_atoms": 480,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.8450704225352113,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "D",
|
| 21 |
+
"total": 0.706179141998291,
|
| 22 |
+
"cdr": 0.5536345839500427,
|
| 23 |
+
"framework": 0.6678528785705566,
|
| 24 |
+
"cdr_fw_aligned": 0.9498264193534851,
|
| 25 |
+
"cdr1": 0.2659521698951721,
|
| 26 |
+
"cdr2": 0.33717256784439087,
|
| 27 |
+
"cdr3": 0.3900377154350281,
|
| 28 |
+
"cdr1_fw_aligned": 0.6008244752883911,
|
| 29 |
+
"cdr2_fw_aligned": 1.5688035488128662,
|
| 30 |
+
"cdr3_fw_aligned": 0.6503058075904846,
|
| 31 |
+
"num_residues": 120,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 568,
|
| 36 |
+
"num_gt_atoms": 480,
|
| 37 |
+
"num_aligned_atoms": 480
|
| 38 |
+
}
|
| 39 |
+
}
|
8sfx_D__B_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sfx_D__B_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.1794753074645996,
|
| 7 |
+
"cdr": 1.1922234296798706,
|
| 8 |
+
"framework": 1.158247709274292,
|
| 9 |
+
"cdr_fw_aligned": 1.3371809720993042
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1057,
|
| 12 |
+
"num_gt_atoms": 902,
|
| 13 |
+
"num_aligned_atoms": 840,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.7947019867549668,
|
| 16 |
+
"gt_coverage": 0.9312638580931264,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "D",
|
| 21 |
+
"total": 1.1794753074645996,
|
| 22 |
+
"cdr": 1.1922234296798706,
|
| 23 |
+
"framework": 1.158247709274292,
|
| 24 |
+
"cdr_fw_aligned": 1.3371809720993042,
|
| 25 |
+
"cdr1": 0.3047328591346741,
|
| 26 |
+
"cdr2": 2.0110244750976562,
|
| 27 |
+
"cdr3": 0.59903883934021,
|
| 28 |
+
"cdr1_fw_aligned": 0.8719695806503296,
|
| 29 |
+
"cdr2_fw_aligned": 2.2462515830993652,
|
| 30 |
+
"cdr3_fw_aligned": 0.9316891431808472,
|
| 31 |
+
"num_residues": 120,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 1057,
|
| 36 |
+
"num_gt_atoms": 902,
|
| 37 |
+
"num_aligned_atoms": 840
|
| 38 |
+
}
|
| 39 |
+
}
|
8sgi_H_L_A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sgi_H_L_A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.143281638622284,
|
| 7 |
+
"cdr": 1.4751735031604767,
|
| 8 |
+
"framework": 1.0020810067653656,
|
| 9 |
+
"cdr_fw_aligned": 1.6573229134082794
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 3309,
|
| 12 |
+
"num_gt_atoms": 1757,
|
| 13 |
+
"num_aligned_atoms": 1617,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.4886672710788758,
|
| 16 |
+
"gt_coverage": 0.9203187250996016,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.4074381589889526,
|
| 22 |
+
"cdr": 2.243631362915039,
|
| 23 |
+
"framework": 1.0932260751724243,
|
| 24 |
+
"cdr_fw_aligned": 2.5412046909332275,
|
| 25 |
+
"cdr1": 0.8254097104072571,
|
| 26 |
+
"cdr2": 0.4723913371562958,
|
| 27 |
+
"cdr3": 2.6946372985839844,
|
| 28 |
+
"cdr1_fw_aligned": 0.916208028793335,
|
| 29 |
+
"cdr2_fw_aligned": 1.0672674179077148,
|
| 30 |
+
"cdr3_fw_aligned": 3.5805578231811523,
|
| 31 |
+
"num_residues": 121,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 0.8791251182556152,
|
| 37 |
+
"cdr": 0.7067156434059143,
|
| 38 |
+
"framework": 0.9109359383583069,
|
| 39 |
+
"cdr_fw_aligned": 0.7734411358833313,
|
| 40 |
+
"cdr1": 0.5343502163887024,
|
| 41 |
+
"cdr2": 0.6219080686569214,
|
| 42 |
+
"cdr3": 0.6990553140640259,
|
| 43 |
+
"cdr1_fw_aligned": 0.6947277188301086,
|
| 44 |
+
"cdr2_fw_aligned": 0.8192580342292786,
|
| 45 |
+
"cdr3_fw_aligned": 0.8484868407249451,
|
| 46 |
+
"num_residues": 110,
|
| 47 |
+
"num_cdr_residues": 30
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 1816,
|
| 51 |
+
"num_gt_atoms": 941,
|
| 52 |
+
"num_aligned_atoms": 873
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 1493,
|
| 56 |
+
"num_gt_atoms": 816,
|
| 57 |
+
"num_aligned_atoms": 744
|
| 58 |
+
}
|
| 59 |
+
}
|
8sgi_H_L_A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sgi_H_L_A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.2690519094467163,
|
| 7 |
+
"cdr": 1.7048273384571075,
|
| 8 |
+
"framework": 1.0632971823215485,
|
| 9 |
+
"cdr_fw_aligned": 2.0056726932525635
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 3309,
|
| 12 |
+
"num_gt_atoms": 1757,
|
| 13 |
+
"num_aligned_atoms": 1617,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.4886672710788758,
|
| 16 |
+
"gt_coverage": 0.9203187250996016,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.643390417098999,
|
| 22 |
+
"cdr": 2.7378509044647217,
|
| 23 |
+
"framework": 1.190462350845337,
|
| 24 |
+
"cdr_fw_aligned": 3.261913537979126,
|
| 25 |
+
"cdr1": 0.861830472946167,
|
| 26 |
+
"cdr2": 0.44748926162719727,
|
| 27 |
+
"cdr3": 3.096238613128662,
|
| 28 |
+
"cdr1_fw_aligned": 1.0385998487472534,
|
| 29 |
+
"cdr2_fw_aligned": 0.8338141441345215,
|
| 30 |
+
"cdr3_fw_aligned": 4.680576801300049,
|
| 31 |
+
"num_residues": 121,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 0.8947134017944336,
|
| 37 |
+
"cdr": 0.6718037724494934,
|
| 38 |
+
"framework": 0.93613201379776,
|
| 39 |
+
"cdr_fw_aligned": 0.749431848526001,
|
| 40 |
+
"cdr1": 0.44415396451950073,
|
| 41 |
+
"cdr2": 0.5179111957550049,
|
| 42 |
+
"cdr3": 0.7543197870254517,
|
| 43 |
+
"cdr1_fw_aligned": 0.5471062660217285,
|
| 44 |
+
"cdr2_fw_aligned": 0.6597168445587158,
|
| 45 |
+
"cdr3_fw_aligned": 1.0266304016113281,
|
| 46 |
+
"num_residues": 110,
|
| 47 |
+
"num_cdr_residues": 30
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 1816,
|
| 51 |
+
"num_gt_atoms": 941,
|
| 52 |
+
"num_aligned_atoms": 873
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 1493,
|
| 56 |
+
"num_gt_atoms": 816,
|
| 57 |
+
"num_aligned_atoms": 744
|
| 58 |
+
}
|
| 59 |
+
}
|
8sgj_H_L_A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sgj_H_L_A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.1649223566055298,
|
| 7 |
+
"cdr": 1.4912599325180054,
|
| 8 |
+
"framework": 1.0264410972595215,
|
| 9 |
+
"cdr_fw_aligned": 1.6819773614406586
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 3309,
|
| 12 |
+
"num_gt_atoms": 1757,
|
| 13 |
+
"num_aligned_atoms": 1617,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.4886672710788758,
|
| 16 |
+
"gt_coverage": 0.9203187250996016,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.4324188232421875,
|
| 22 |
+
"cdr": 2.2456815242767334,
|
| 23 |
+
"framework": 1.127482533454895,
|
| 24 |
+
"cdr_fw_aligned": 2.5500638484954834,
|
| 25 |
+
"cdr1": 0.8319471478462219,
|
| 26 |
+
"cdr2": 0.47272515296936035,
|
| 27 |
+
"cdr3": 2.680849075317383,
|
| 28 |
+
"cdr1_fw_aligned": 0.9308897852897644,
|
| 29 |
+
"cdr2_fw_aligned": 1.055385947227478,
|
| 30 |
+
"cdr3_fw_aligned": 3.5933377742767334,
|
| 31 |
+
"num_residues": 121,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 0.8974258899688721,
|
| 37 |
+
"cdr": 0.7368383407592773,
|
| 38 |
+
"framework": 0.925399661064148,
|
| 39 |
+
"cdr_fw_aligned": 0.8138908743858337,
|
| 40 |
+
"cdr1": 0.5732818245887756,
|
| 41 |
+
"cdr2": 0.6658036708831787,
|
| 42 |
+
"cdr3": 0.7013726234436035,
|
| 43 |
+
"cdr1_fw_aligned": 0.7194114923477173,
|
| 44 |
+
"cdr2_fw_aligned": 0.9040706157684326,
|
| 45 |
+
"cdr3_fw_aligned": 0.8763265609741211,
|
| 46 |
+
"num_residues": 110,
|
| 47 |
+
"num_cdr_residues": 30
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 1816,
|
| 51 |
+
"num_gt_atoms": 941,
|
| 52 |
+
"num_aligned_atoms": 873
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 1493,
|
| 56 |
+
"num_gt_atoms": 816,
|
| 57 |
+
"num_aligned_atoms": 744
|
| 58 |
+
}
|
| 59 |
+
}
|
8sgj_H_L_A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sgj_H_L_A_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.1440330147743225,
|
| 7 |
+
"cdr": 1.3243735432624817,
|
| 8 |
+
"framework": 1.0492458045482635,
|
| 9 |
+
"cdr_fw_aligned": 1.5558944940567017
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 3309,
|
| 12 |
+
"num_gt_atoms": 1757,
|
| 13 |
+
"num_aligned_atoms": 1617,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.4886672710788758,
|
| 16 |
+
"gt_coverage": 0.9203187250996016,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.3219205141067505,
|
| 22 |
+
"cdr": 1.8937013149261475,
|
| 23 |
+
"framework": 1.1211696863174438,
|
| 24 |
+
"cdr_fw_aligned": 2.113170623779297,
|
| 25 |
+
"cdr1": 0.8216446042060852,
|
| 26 |
+
"cdr2": 0.42024263739585876,
|
| 27 |
+
"cdr3": 2.4432430267333984,
|
| 28 |
+
"cdr1_fw_aligned": 1.0506889820098877,
|
| 29 |
+
"cdr2_fw_aligned": 0.6255989074707031,
|
| 30 |
+
"cdr3_fw_aligned": 2.951481342315674,
|
| 31 |
+
"num_residues": 121,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 0.9661455154418945,
|
| 37 |
+
"cdr": 0.7550457715988159,
|
| 38 |
+
"framework": 0.9773219227790833,
|
| 39 |
+
"cdr_fw_aligned": 0.9986183643341064,
|
| 40 |
+
"cdr1": 0.5301762223243713,
|
| 41 |
+
"cdr2": 0.4997250437736511,
|
| 42 |
+
"cdr3": 0.8412360548973083,
|
| 43 |
+
"cdr1_fw_aligned": 0.8204163312911987,
|
| 44 |
+
"cdr2_fw_aligned": 0.7117047309875488,
|
| 45 |
+
"cdr3_fw_aligned": 1.3612620830535889,
|
| 46 |
+
"num_residues": 110,
|
| 47 |
+
"num_cdr_residues": 30
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 1816,
|
| 51 |
+
"num_gt_atoms": 941,
|
| 52 |
+
"num_aligned_atoms": 873
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 1493,
|
| 56 |
+
"num_gt_atoms": 816,
|
| 57 |
+
"num_aligned_atoms": 744
|
| 58 |
+
}
|
| 59 |
+
}
|
8sgj_H_L_A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sgj_H_L_A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.1941841840744019,
|
| 7 |
+
"cdr": 1.6792314946651459,
|
| 8 |
+
"framework": 0.9593954682350159,
|
| 9 |
+
"cdr_fw_aligned": 1.946481078863144
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 3309,
|
| 12 |
+
"num_gt_atoms": 1757,
|
| 13 |
+
"num_aligned_atoms": 1617,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.4886672710788758,
|
| 16 |
+
"gt_coverage": 0.9203187250996016,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.497104287147522,
|
| 22 |
+
"cdr": 2.6642026901245117,
|
| 23 |
+
"framework": 1.0035520792007446,
|
| 24 |
+
"cdr_fw_aligned": 3.0513548851013184,
|
| 25 |
+
"cdr1": 0.8254851698875427,
|
| 26 |
+
"cdr2": 0.4719183146953583,
|
| 27 |
+
"cdr3": 3.1139588356018066,
|
| 28 |
+
"cdr1_fw_aligned": 1.0879709720611572,
|
| 29 |
+
"cdr2_fw_aligned": 0.6714960336685181,
|
| 30 |
+
"cdr3_fw_aligned": 4.369034290313721,
|
| 31 |
+
"num_residues": 121,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 0.8912640810012817,
|
| 37 |
+
"cdr": 0.69426029920578,
|
| 38 |
+
"framework": 0.9152388572692871,
|
| 39 |
+
"cdr_fw_aligned": 0.8416072726249695,
|
| 40 |
+
"cdr1": 0.5381015539169312,
|
| 41 |
+
"cdr2": 0.5383923053741455,
|
| 42 |
+
"cdr3": 0.739385724067688,
|
| 43 |
+
"cdr1_fw_aligned": 0.6727967858314514,
|
| 44 |
+
"cdr2_fw_aligned": 0.6477903127670288,
|
| 45 |
+
"cdr3_fw_aligned": 1.1447511911392212,
|
| 46 |
+
"num_residues": 110,
|
| 47 |
+
"num_cdr_residues": 30
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 1816,
|
| 51 |
+
"num_gt_atoms": 941,
|
| 52 |
+
"num_aligned_atoms": 873
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 1493,
|
| 56 |
+
"num_gt_atoms": 816,
|
| 57 |
+
"num_aligned_atoms": 744
|
| 58 |
+
}
|
| 59 |
+
}
|
8sgt_H_L_A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sgt_H_L_A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 0.9069303572177887,
|
| 7 |
+
"cdr": 1.384087711572647,
|
| 8 |
+
"framework": 0.6235507428646088,
|
| 9 |
+
"cdr_fw_aligned": 1.532248854637146
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1804,
|
| 12 |
+
"num_gt_atoms": 924,
|
| 13 |
+
"num_aligned_atoms": 924,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.5121951219512195,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.1443636417388916,
|
| 22 |
+
"cdr": 1.955064296722412,
|
| 23 |
+
"framework": 0.6576378345489502,
|
| 24 |
+
"cdr_fw_aligned": 2.201727867126465,
|
| 25 |
+
"cdr1": 0.43845248222351074,
|
| 26 |
+
"cdr2": 0.27877357602119446,
|
| 27 |
+
"cdr3": 2.3070247173309326,
|
| 28 |
+
"cdr1_fw_aligned": 0.7828505635261536,
|
| 29 |
+
"cdr2_fw_aligned": 1.0604221820831299,
|
| 30 |
+
"cdr3_fw_aligned": 3.0297625064849854,
|
| 31 |
+
"num_residues": 121,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 0.6694970726966858,
|
| 37 |
+
"cdr": 0.8131111264228821,
|
| 38 |
+
"framework": 0.5894636511802673,
|
| 39 |
+
"cdr_fw_aligned": 0.8627698421478271,
|
| 40 |
+
"cdr1": 0.5948805212974548,
|
| 41 |
+
"cdr2": 0.5238407850265503,
|
| 42 |
+
"cdr3": 0.8513109087944031,
|
| 43 |
+
"cdr1_fw_aligned": 0.7341878414154053,
|
| 44 |
+
"cdr2_fw_aligned": 0.8629072904586792,
|
| 45 |
+
"cdr3_fw_aligned": 1.0313196182250977,
|
| 46 |
+
"num_residues": 110,
|
| 47 |
+
"num_cdr_residues": 30
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 996,
|
| 51 |
+
"num_gt_atoms": 484,
|
| 52 |
+
"num_aligned_atoms": 484
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 808,
|
| 56 |
+
"num_gt_atoms": 440,
|
| 57 |
+
"num_aligned_atoms": 440
|
| 58 |
+
}
|
| 59 |
+
}
|
8smk_B_C_A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8smk_B_C_A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 4.420709848403931,
|
| 7 |
+
"cdr": 1.3817278742790222,
|
| 8 |
+
"framework": 4.216590523719788,
|
| 9 |
+
"cdr_fw_aligned": 6.511268377304077
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1776,
|
| 12 |
+
"num_gt_atoms": 1744,
|
| 13 |
+
"num_aligned_atoms": 1744,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9819819819819819,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
+
"total": 4.6790995597839355,
|
| 22 |
+
"cdr": 1.2324659824371338,
|
| 23 |
+
"framework": 4.502363681793213,
|
| 24 |
+
"cdr_fw_aligned": 6.533100128173828,
|
| 25 |
+
"cdr1": 0.46732813119888306,
|
| 26 |
+
"cdr2": 0.271355003118515,
|
| 27 |
+
"cdr3": 1.3497296571731567,
|
| 28 |
+
"cdr1_fw_aligned": 7.8929595947265625,
|
| 29 |
+
"cdr2_fw_aligned": 7.421584129333496,
|
| 30 |
+
"cdr3_fw_aligned": 5.003857612609863,
|
| 31 |
+
"num_residues": 221,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "C",
|
| 36 |
+
"total": 4.162320137023926,
|
| 37 |
+
"cdr": 1.5309897661209106,
|
| 38 |
+
"framework": 3.9308173656463623,
|
| 39 |
+
"cdr_fw_aligned": 6.489436626434326,
|
| 40 |
+
"cdr1": 0.7515506148338318,
|
| 41 |
+
"cdr2": 1.3894107341766357,
|
| 42 |
+
"cdr3": 1.543903112411499,
|
| 43 |
+
"cdr1_fw_aligned": 7.829679489135742,
|
| 44 |
+
"cdr2_fw_aligned": 6.1183366775512695,
|
| 45 |
+
"cdr3_fw_aligned": 5.089151382446289,
|
| 46 |
+
"num_residues": 215,
|
| 47 |
+
"num_cdr_residues": 29
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 916,
|
| 51 |
+
"num_gt_atoms": 884,
|
| 52 |
+
"num_aligned_atoms": 884
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 860,
|
| 56 |
+
"num_gt_atoms": 860,
|
| 57 |
+
"num_aligned_atoms": 860
|
| 58 |
+
}
|
| 59 |
+
}
|
8smk_B_C_A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8smk_B_C_A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 4.235824465751648,
|
| 7 |
+
"cdr": 1.326019525527954,
|
| 8 |
+
"framework": 4.002887845039368,
|
| 9 |
+
"cdr_fw_aligned": 6.504620313644409
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1776,
|
| 12 |
+
"num_gt_atoms": 1744,
|
| 13 |
+
"num_aligned_atoms": 1744,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9819819819819819,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
+
"total": 4.678172588348389,
|
| 22 |
+
"cdr": 1.146324634552002,
|
| 23 |
+
"framework": 4.4377593994140625,
|
| 24 |
+
"cdr_fw_aligned": 7.044985294342041,
|
| 25 |
+
"cdr1": 0.41419607400894165,
|
| 26 |
+
"cdr2": 0.21479223668575287,
|
| 27 |
+
"cdr3": 1.5107500553131104,
|
| 28 |
+
"cdr1_fw_aligned": 8.115579605102539,
|
| 29 |
+
"cdr2_fw_aligned": 7.486852645874023,
|
| 30 |
+
"cdr3_fw_aligned": 6.078887939453125,
|
| 31 |
+
"num_residues": 221,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "C",
|
| 36 |
+
"total": 3.7934763431549072,
|
| 37 |
+
"cdr": 1.5057144165039062,
|
| 38 |
+
"framework": 3.568016290664673,
|
| 39 |
+
"cdr_fw_aligned": 5.964255332946777,
|
| 40 |
+
"cdr1": 0.7889487147331238,
|
| 41 |
+
"cdr2": 1.392569661140442,
|
| 42 |
+
"cdr3": 1.5575939416885376,
|
| 43 |
+
"cdr1_fw_aligned": 7.207399845123291,
|
| 44 |
+
"cdr2_fw_aligned": 5.5460004806518555,
|
| 45 |
+
"cdr3_fw_aligned": 4.7182488441467285,
|
| 46 |
+
"num_residues": 215,
|
| 47 |
+
"num_cdr_residues": 29
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 916,
|
| 51 |
+
"num_gt_atoms": 884,
|
| 52 |
+
"num_aligned_atoms": 884
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 860,
|
| 56 |
+
"num_gt_atoms": 860,
|
| 57 |
+
"num_aligned_atoms": 860
|
| 58 |
+
}
|
| 59 |
+
}
|
8smm_H_L_A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8smm_H_L_A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.7726380825042725,
|
| 7 |
+
"cdr": 3.028812885284424,
|
| 8 |
+
"framework": 0.8031836152076721,
|
| 9 |
+
"cdr_fw_aligned": 3.524662494659424
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1796,
|
| 12 |
+
"num_gt_atoms": 920,
|
| 13 |
+
"num_aligned_atoms": 920,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.512249443207127,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 2.262101888656616,
|
| 22 |
+
"cdr": 4.259955406188965,
|
| 23 |
+
"framework": 0.7220083475112915,
|
| 24 |
+
"cdr_fw_aligned": 4.8873515129089355,
|
| 25 |
+
"cdr1": 0.38495752215385437,
|
| 26 |
+
"cdr2": 0.8439843654632568,
|
| 27 |
+
"cdr3": 4.544484615325928,
|
| 28 |
+
"cdr1_fw_aligned": 0.627498984336853,
|
| 29 |
+
"cdr2_fw_aligned": 1.0375210046768188,
|
| 30 |
+
"cdr3_fw_aligned": 6.73854923248291,
|
| 31 |
+
"num_residues": 124,
|
| 32 |
+
"num_cdr_residues": 27
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 1.2831742763519287,
|
| 37 |
+
"cdr": 1.7976703643798828,
|
| 38 |
+
"framework": 0.8843588829040527,
|
| 39 |
+
"cdr_fw_aligned": 2.161973476409912,
|
| 40 |
+
"cdr1": 2.2152106761932373,
|
| 41 |
+
"cdr2": 0.3507300913333893,
|
| 42 |
+
"cdr3": 1.4922653436660767,
|
| 43 |
+
"cdr1_fw_aligned": 2.777878522872925,
|
| 44 |
+
"cdr2_fw_aligned": 0.5591096878051758,
|
| 45 |
+
"cdr3_fw_aligned": 2.0851681232452393,
|
| 46 |
+
"num_residues": 106,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 936,
|
| 51 |
+
"num_gt_atoms": 496,
|
| 52 |
+
"num_aligned_atoms": 496
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 860,
|
| 56 |
+
"num_gt_atoms": 424,
|
| 57 |
+
"num_aligned_atoms": 424
|
| 58 |
+
}
|
| 59 |
+
}
|
8smn_H_L_A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8smn_H_L_A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.833682119846344,
|
| 7 |
+
"cdr": 3.0775530338287354,
|
| 8 |
+
"framework": 0.843532383441925,
|
| 9 |
+
"cdr_fw_aligned": 3.7053028345108032
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1796,
|
| 12 |
+
"num_gt_atoms": 920,
|
| 13 |
+
"num_aligned_atoms": 920,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.512249443207127,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 2.377732992172241,
|
| 22 |
+
"cdr": 4.346424102783203,
|
| 23 |
+
"framework": 0.8543918132781982,
|
| 24 |
+
"cdr_fw_aligned": 5.128636837005615,
|
| 25 |
+
"cdr1": 0.3718445599079132,
|
| 26 |
+
"cdr2": 0.8189120888710022,
|
| 27 |
+
"cdr3": 4.562905788421631,
|
| 28 |
+
"cdr1_fw_aligned": 0.6158972978591919,
|
| 29 |
+
"cdr2_fw_aligned": 0.9932200908660889,
|
| 30 |
+
"cdr3_fw_aligned": 7.079171180725098,
|
| 31 |
+
"num_residues": 124,
|
| 32 |
+
"num_cdr_residues": 27
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 1.2896312475204468,
|
| 37 |
+
"cdr": 1.8086819648742676,
|
| 38 |
+
"framework": 0.8326729536056519,
|
| 39 |
+
"cdr_fw_aligned": 2.281968832015991,
|
| 40 |
+
"cdr1": 2.225644111633301,
|
| 41 |
+
"cdr2": 0.2941551208496094,
|
| 42 |
+
"cdr3": 1.440061330795288,
|
| 43 |
+
"cdr1_fw_aligned": 2.8866727352142334,
|
| 44 |
+
"cdr2_fw_aligned": 0.5577956438064575,
|
| 45 |
+
"cdr3_fw_aligned": 2.279374122619629,
|
| 46 |
+
"num_residues": 106,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 936,
|
| 51 |
+
"num_gt_atoms": 496,
|
| 52 |
+
"num_aligned_atoms": 496
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 860,
|
| 56 |
+
"num_gt_atoms": 424,
|
| 57 |
+
"num_aligned_atoms": 424
|
| 58 |
+
}
|
| 59 |
+
}
|
8so3_Y_Z_X_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8so3_Y_Z_X_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 9.362234115600586,
|
| 7 |
+
"cdr": 1.3323512077331543,
|
| 8 |
+
"framework": 8.987271785736084,
|
| 9 |
+
"cdr_fw_aligned": 13.16471529006958
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 3673,
|
| 12 |
+
"num_gt_atoms": 3143,
|
| 13 |
+
"num_aligned_atoms": 3028,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.8243942281513749,
|
| 16 |
+
"gt_coverage": 0.9634107540566338,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "Y",
|
| 21 |
+
"total": 8.008249282836914,
|
| 22 |
+
"cdr": 1.4514544010162354,
|
| 23 |
+
"framework": 7.7923078536987305,
|
| 24 |
+
"cdr_fw_aligned": 11.20947265625,
|
| 25 |
+
"cdr1": 0.6812617182731628,
|
| 26 |
+
"cdr2": 0.4984031021595001,
|
| 27 |
+
"cdr3": 1.7699602842330933,
|
| 28 |
+
"cdr1_fw_aligned": 11.128820419311523,
|
| 29 |
+
"cdr2_fw_aligned": 8.446863174438477,
|
| 30 |
+
"cdr3_fw_aligned": 12.505443572998047,
|
| 31 |
+
"num_residues": 213,
|
| 32 |
+
"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "Z",
|
| 36 |
+
"total": 10.716218948364258,
|
| 37 |
+
"cdr": 1.2132480144500732,
|
| 38 |
+
"framework": 10.182235717773438,
|
| 39 |
+
"cdr_fw_aligned": 15.11995792388916,
|
| 40 |
+
"cdr1": 1.2253962755203247,
|
| 41 |
+
"cdr2": 0.6639230251312256,
|
| 42 |
+
"cdr3": 0.6598356366157532,
|
| 43 |
+
"cdr1_fw_aligned": 16.118907928466797,
|
| 44 |
+
"cdr2_fw_aligned": 9.612199783325195,
|
| 45 |
+
"cdr3_fw_aligned": 16.565893173217773,
|
| 46 |
+
"num_residues": 216,
|
| 47 |
+
"num_cdr_residues": 31
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 1880,
|
| 51 |
+
"num_gt_atoms": 1565,
|
| 52 |
+
"num_aligned_atoms": 1500
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 1793,
|
| 56 |
+
"num_gt_atoms": 1578,
|
| 57 |
+
"num_aligned_atoms": 1528
|
| 58 |
+
}
|
| 59 |
+
}
|
8so3_Y_Z_X_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8so3_Y_Z_X_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 9.308063507080078,
|
| 7 |
+
"cdr": 1.1472645998001099,
|
| 8 |
+
"framework": 8.998610973358154,
|
| 9 |
+
"cdr_fw_aligned": 12.664515018463135
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 3673,
|
| 12 |
+
"num_gt_atoms": 3143,
|
| 13 |
+
"num_aligned_atoms": 3028,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.8243942281513749,
|
| 16 |
+
"gt_coverage": 0.9634107540566338,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "Y",
|
| 21 |
+
"total": 8.531031608581543,
|
| 22 |
+
"cdr": 1.265442132949829,
|
| 23 |
+
"framework": 8.318044662475586,
|
| 24 |
+
"cdr_fw_aligned": 11.824182510375977,
|
| 25 |
+
"cdr1": 0.7630566358566284,
|
| 26 |
+
"cdr2": 0.5889937281608582,
|
| 27 |
+
"cdr3": 1.1545628309249878,
|
| 28 |
+
"cdr1_fw_aligned": 12.233368873596191,
|
| 29 |
+
"cdr2_fw_aligned": 9.504724502563477,
|
| 30 |
+
"cdr3_fw_aligned": 12.655208587646484,
|
| 31 |
+
"num_residues": 213,
|
| 32 |
+
"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "Z",
|
| 36 |
+
"total": 10.085095405578613,
|
| 37 |
+
"cdr": 1.0290870666503906,
|
| 38 |
+
"framework": 9.679177284240723,
|
| 39 |
+
"cdr_fw_aligned": 13.504847526550293,
|
| 40 |
+
"cdr1": 1.0928655862808228,
|
| 41 |
+
"cdr2": 0.6248472332954407,
|
| 42 |
+
"cdr3": 0.6739039421081543,
|
| 43 |
+
"cdr1_fw_aligned": 13.715818405151367,
|
| 44 |
+
"cdr2_fw_aligned": 9.843350410461426,
|
| 45 |
+
"cdr3_fw_aligned": 15.356822967529297,
|
| 46 |
+
"num_residues": 216,
|
| 47 |
+
"num_cdr_residues": 31
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 1880,
|
| 51 |
+
"num_gt_atoms": 1565,
|
| 52 |
+
"num_aligned_atoms": 1500
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 1793,
|
| 56 |
+
"num_gt_atoms": 1578,
|
| 57 |
+
"num_aligned_atoms": 1528
|
| 58 |
+
}
|
| 59 |
+
}
|
8sr0_Y_Z_X_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sr0_Y_Z_X_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.10614612698555,
|
| 7 |
+
"cdr": 1.3025622069835663,
|
| 8 |
+
"framework": 0.9414420127868652,
|
| 9 |
+
"cdr_fw_aligned": 1.6408426761627197
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1960,
|
| 12 |
+
"num_gt_atoms": 911,
|
| 13 |
+
"num_aligned_atoms": 911,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.46479591836734696,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "Y",
|
| 21 |
+
"total": 1.2790913581848145,
|
| 22 |
+
"cdr": 1.7087877988815308,
|
| 23 |
+
"framework": 1.0294896364212036,
|
| 24 |
+
"cdr_fw_aligned": 2.090745687484741,
|
| 25 |
+
"cdr1": 0.4294150471687317,
|
| 26 |
+
"cdr2": 0.3156101703643799,
|
| 27 |
+
"cdr3": 1.6405506134033203,
|
| 28 |
+
"cdr1_fw_aligned": 1.1789474487304688,
|
| 29 |
+
"cdr2_fw_aligned": 0.8819135427474976,
|
| 30 |
+
"cdr3_fw_aligned": 2.93498158454895,
|
| 31 |
+
"num_residues": 119,
|
| 32 |
+
"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "Z",
|
| 36 |
+
"total": 0.9332008957862854,
|
| 37 |
+
"cdr": 0.8963366150856018,
|
| 38 |
+
"framework": 0.8533943891525269,
|
| 39 |
+
"cdr_fw_aligned": 1.1909396648406982,
|
| 40 |
+
"cdr1": 0.9891830682754517,
|
| 41 |
+
"cdr2": 0.4037924110889435,
|
| 42 |
+
"cdr3": 0.5490718483924866,
|
| 43 |
+
"cdr1_fw_aligned": 1.1693463325500488,
|
| 44 |
+
"cdr2_fw_aligned": 0.9240476489067078,
|
| 45 |
+
"cdr3_fw_aligned": 1.3936827182769775,
|
| 46 |
+
"num_residues": 109,
|
| 47 |
+
"num_cdr_residues": 31
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 1008,
|
| 51 |
+
"num_gt_atoms": 476,
|
| 52 |
+
"num_aligned_atoms": 476
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 952,
|
| 56 |
+
"num_gt_atoms": 435,
|
| 57 |
+
"num_aligned_atoms": 435
|
| 58 |
+
}
|
| 59 |
+
}
|
8sxp_H_L_C_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sxp_H_L_C_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 3.401084542274475,
|
| 7 |
+
"cdr": 0.9563029110431671,
|
| 8 |
+
"framework": 3.026810646057129,
|
| 9 |
+
"cdr_fw_aligned": 6.150938034057617
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1760,
|
| 12 |
+
"num_gt_atoms": 1756,
|
| 13 |
+
"num_aligned_atoms": 1756,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9977272727272727,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 3.7365214824676514,
|
| 22 |
+
"cdr": 1.2710827589035034,
|
| 23 |
+
"framework": 3.1774511337280273,
|
| 24 |
+
"cdr_fw_aligned": 7.472943305969238,
|
| 25 |
+
"cdr1": 0.6232982873916626,
|
| 26 |
+
"cdr2": 0.3592415750026703,
|
| 27 |
+
"cdr3": 1.0426369905471802,
|
| 28 |
+
"cdr1_fw_aligned": 6.654857635498047,
|
| 29 |
+
"cdr2_fw_aligned": 6.280703067779541,
|
| 30 |
+
"cdr3_fw_aligned": 8.112052917480469,
|
| 31 |
+
"num_residues": 227,
|
| 32 |
+
"num_cdr_residues": 31
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 3.065647602081299,
|
| 37 |
+
"cdr": 0.6415230631828308,
|
| 38 |
+
"framework": 2.8761701583862305,
|
| 39 |
+
"cdr_fw_aligned": 4.828932762145996,
|
| 40 |
+
"cdr1": 0.3782467246055603,
|
| 41 |
+
"cdr2": 0.3215655982494354,
|
| 42 |
+
"cdr3": 0.9175344705581665,
|
| 43 |
+
"cdr1_fw_aligned": 5.545366287231445,
|
| 44 |
+
"cdr2_fw_aligned": 4.335461139678955,
|
| 45 |
+
"cdr3_fw_aligned": 4.213306427001953,
|
| 46 |
+
"num_residues": 212,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 912,
|
| 51 |
+
"num_gt_atoms": 908,
|
| 52 |
+
"num_aligned_atoms": 908
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 848,
|
| 56 |
+
"num_gt_atoms": 848,
|
| 57 |
+
"num_aligned_atoms": 848
|
| 58 |
+
}
|
| 59 |
+
}
|
8sxp_H_L_C_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sxp_H_L_C_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.1691542267799377,
|
| 7 |
+
"cdr": 1.1771417558193207,
|
| 8 |
+
"framework": 1.0896106362342834,
|
| 9 |
+
"cdr_fw_aligned": 1.6443019211292267
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1760,
|
| 12 |
+
"num_gt_atoms": 1756,
|
| 13 |
+
"num_aligned_atoms": 1756,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9977272727272727,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.4709382057189941,
|
| 22 |
+
"cdr": 1.7155449390411377,
|
| 23 |
+
"framework": 1.305438756942749,
|
| 24 |
+
"cdr_fw_aligned": 2.3931472301483154,
|
| 25 |
+
"cdr1": 0.951227068901062,
|
| 26 |
+
"cdr2": 0.3392149806022644,
|
| 27 |
+
"cdr3": 1.224698781967163,
|
| 28 |
+
"cdr1_fw_aligned": 1.6177042722702026,
|
| 29 |
+
"cdr2_fw_aligned": 1.172499179840088,
|
| 30 |
+
"cdr3_fw_aligned": 2.8961057662963867,
|
| 31 |
+
"num_residues": 227,
|
| 32 |
+
"num_cdr_residues": 31
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 0.8673702478408813,
|
| 37 |
+
"cdr": 0.6387385725975037,
|
| 38 |
+
"framework": 0.8737825155258179,
|
| 39 |
+
"cdr_fw_aligned": 0.8954566121101379,
|
| 40 |
+
"cdr1": 0.38986527919769287,
|
| 41 |
+
"cdr2": 0.2867751717567444,
|
| 42 |
+
"cdr3": 0.8954983949661255,
|
| 43 |
+
"cdr1_fw_aligned": 0.8334386944770813,
|
| 44 |
+
"cdr2_fw_aligned": 0.686031699180603,
|
| 45 |
+
"cdr3_fw_aligned": 1.091093897819519,
|
| 46 |
+
"num_residues": 212,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 912,
|
| 51 |
+
"num_gt_atoms": 908,
|
| 52 |
+
"num_aligned_atoms": 908
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 848,
|
| 56 |
+
"num_gt_atoms": 848,
|
| 57 |
+
"num_aligned_atoms": 848
|
| 58 |
+
}
|
| 59 |
+
}
|
8t03_C_D_A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8t03_C_D_A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 0.6598191261291504,
|
| 7 |
+
"cdr": 0.7485667020082474,
|
| 8 |
+
"framework": 0.5930014252662659,
|
| 9 |
+
"cdr_fw_aligned": 0.8699666857719421
|
| 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": "C",
|
| 21 |
+
"total": 0.7338616847991943,
|
| 22 |
+
"cdr": 1.0917178392410278,
|
| 23 |
+
"framework": 0.5635226964950562,
|
| 24 |
+
"cdr_fw_aligned": 1.2359628677368164,
|
| 25 |
+
"cdr1": 0.5881918668746948,
|
| 26 |
+
"cdr2": 0.15602420270442963,
|
| 27 |
+
"cdr3": 1.271820068359375,
|
| 28 |
+
"cdr1_fw_aligned": 1.012992024421692,
|
| 29 |
+
"cdr2_fw_aligned": 0.651426374912262,
|
| 30 |
+
"cdr3_fw_aligned": 1.5907776355743408,
|
| 31 |
+
"num_residues": 120,
|
| 32 |
+
"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "D",
|
| 36 |
+
"total": 0.5857765674591064,
|
| 37 |
+
"cdr": 0.4054155647754669,
|
| 38 |
+
"framework": 0.6224801540374756,
|
| 39 |
+
"cdr_fw_aligned": 0.5039705038070679,
|
| 40 |
+
"cdr1": 0.33353304862976074,
|
| 41 |
+
"cdr2": 0.24518327414989471,
|
| 42 |
+
"cdr3": 0.31158334016799927,
|
| 43 |
+
"cdr1_fw_aligned": 0.5090190768241882,
|
| 44 |
+
"cdr2_fw_aligned": 0.4461120367050171,
|
| 45 |
+
"cdr3_fw_aligned": 0.5389637351036072,
|
| 46 |
+
"num_residues": 107,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 480,
|
| 51 |
+
"num_gt_atoms": 480,
|
| 52 |
+
"num_aligned_atoms": 480
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 428,
|
| 56 |
+
"num_gt_atoms": 428,
|
| 57 |
+
"num_aligned_atoms": 428
|
| 58 |
+
}
|
| 59 |
+
}
|
8t04_C_D_A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8t04_C_D_A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 0.7551548480987549,
|
| 7 |
+
"cdr": 0.8740658760070801,
|
| 8 |
+
"framework": 0.7032113075256348,
|
| 9 |
+
"cdr_fw_aligned": 0.9469079375267029
|
| 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": "C",
|
| 21 |
+
"total": 0.806461751461029,
|
| 22 |
+
"cdr": 0.9950467944145203,
|
| 23 |
+
"framework": 0.7299179434776306,
|
| 24 |
+
"cdr_fw_aligned": 1.1001402139663696,
|
| 25 |
+
"cdr1": 0.9633181691169739,
|
| 26 |
+
"cdr2": 0.13133232295513153,
|
| 27 |
+
"cdr3": 0.7674168348312378,
|
| 28 |
+
"cdr1_fw_aligned": 1.4373633861541748,
|
| 29 |
+
"cdr2_fw_aligned": 0.7797883152961731,
|
| 30 |
+
"cdr3_fw_aligned": 0.86098712682724,
|
| 31 |
+
"num_residues": 120,
|
| 32 |
+
"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "D",
|
| 36 |
+
"total": 0.7038479447364807,
|
| 37 |
+
"cdr": 0.7530849575996399,
|
| 38 |
+
"framework": 0.6765046715736389,
|
| 39 |
+
"cdr_fw_aligned": 0.7936756610870361,
|
| 40 |
+
"cdr1": 0.2979032099246979,
|
| 41 |
+
"cdr2": 0.7382852435112,
|
| 42 |
+
"cdr3": 1.012308955192566,
|
| 43 |
+
"cdr1_fw_aligned": 0.3599391281604767,
|
| 44 |
+
"cdr2_fw_aligned": 0.8149293065071106,
|
| 45 |
+
"cdr3_fw_aligned": 1.102217674255371,
|
| 46 |
+
"num_residues": 107,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 480,
|
| 51 |
+
"num_gt_atoms": 480,
|
| 52 |
+
"num_aligned_atoms": 480
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 428,
|
| 56 |
+
"num_gt_atoms": 428,
|
| 57 |
+
"num_aligned_atoms": 428
|
| 58 |
+
}
|
| 59 |
+
}
|
8t1g_G_I_CD_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8t1g_G_I_CD_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.6710134148597717,
|
| 7 |
+
"cdr": 2.0406076908111572,
|
| 8 |
+
"framework": 1.3864290714263916,
|
| 9 |
+
"cdr_fw_aligned": 3.2796700596809387
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 3344,
|
| 12 |
+
"num_gt_atoms": 3384,
|
| 13 |
+
"num_aligned_atoms": 3231,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9662081339712919,
|
| 16 |
+
"gt_coverage": 0.9547872340425532,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "G",
|
| 21 |
+
"total": 2.0715770721435547,
|
| 22 |
+
"cdr": 3.394296884536743,
|
| 23 |
+
"framework": 1.5223348140716553,
|
| 24 |
+
"cdr_fw_aligned": 4.885324954986572,
|
| 25 |
+
"cdr1": 1.5992803573608398,
|
| 26 |
+
"cdr2": 1.2369073629379272,
|
| 27 |
+
"cdr3": 3.1532509326934814,
|
| 28 |
+
"cdr1_fw_aligned": 2.649427652359009,
|
| 29 |
+
"cdr2_fw_aligned": 1.5292917490005493,
|
| 30 |
+
"cdr3_fw_aligned": 5.918400764465332,
|
| 31 |
+
"num_residues": 229,
|
| 32 |
+
"num_cdr_residues": 31
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "I",
|
| 36 |
+
"total": 1.2704497575759888,
|
| 37 |
+
"cdr": 0.6869184970855713,
|
| 38 |
+
"framework": 1.250523328781128,
|
| 39 |
+
"cdr_fw_aligned": 1.6740151643753052,
|
| 40 |
+
"cdr1": 0.760751485824585,
|
| 41 |
+
"cdr2": 0.40550968050956726,
|
| 42 |
+
"cdr3": 0.5893166065216064,
|
| 43 |
+
"cdr1_fw_aligned": 2.012538433074951,
|
| 44 |
+
"cdr2_fw_aligned": 0.7218480706214905,
|
| 45 |
+
"cdr3_fw_aligned": 1.5826257467269897,
|
| 46 |
+
"num_residues": 217,
|
| 47 |
+
"num_cdr_residues": 33
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 1691,
|
| 51 |
+
"num_gt_atoms": 1702,
|
| 52 |
+
"num_aligned_atoms": 1631
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 1653,
|
| 56 |
+
"num_gt_atoms": 1682,
|
| 57 |
+
"num_aligned_atoms": 1600
|
| 58 |
+
}
|
| 59 |
+
}
|