Add files using upload-large-folder tool
Browse filesThis view is limited to 50 files because it contains too many changes.
See raw diff
- 7vgs_D_C_A_sample_4_rmsd_backbone.json +59 -0
- 8e1m_H_L_C_sample_2_rmsd.json +59 -0
- 8q7o_A__C_sample_2_rmsd_backbone.json +39 -0
- 8q7s_F__D_sample_3_rmsd_backbone.json +39 -0
- 8qz3_C__B_sample_3_rmsd_backbone.json +39 -0
- 8r1c_H_L_A_sample_4_rmsd_backbone.json +59 -0
- 8r4b_B__A_sample_4_rmsd_backbone.json +39 -0
- 8r80_H_L_R_sample_4_rmsd.json +59 -0
- 8r9y_B_C_A_sample_1_rmsd_backbone.json +59 -0
- 8rrn_H_L_A_sample_1_rmsd_backbone.json +59 -0
- 8s0l_B__A_sample_1_rmsd.json +39 -0
- 8s0l_B__A_sample_2_rmsd.json +39 -0
- 8s5w_B__A_sample_0_rmsd.json +39 -0
- 8scx_H_L_C_sample_0_rmsd.json +59 -0
- 8sdg_G_I_C_sample_1_rmsd_backbone.json +59 -0
- 8sfx_D__B_sample_2_rmsd.json +39 -0
- 8sgj_H_L_A_sample_4_rmsd.json +59 -0
- 8slb_H_L_A_sample_0_rmsd_backbone.json +59 -0
- 8so3_Y_Z_X_sample_3_rmsd_backbone.json +59 -0
- 8t9b_C_G_L_sample_1_rmsd.json +59 -0
- 8tbb_H_L_D_sample_2_rmsd_backbone.json +59 -0
- 8tco_F_G_C_sample_2_rmsd_backbone.json +59 -0
- 8tg9_H_L_A_sample_1_rmsd_backbone.json +59 -0
- 8tl5_G_H_AB_sample_2_rmsd.json +59 -0
- 8tng_H__E_sample_4_rmsd_backbone.json +39 -0
- 8tnj_E_F_A_sample_0_rmsd.json +59 -0
- 8tnn_H_G_C_sample_0_rmsd_backbone.json +59 -0
- 8tp7_D_F_A_sample_0_rmsd.json +59 -0
- 8tr3_H_L_A_sample_3_rmsd_backbone.json +59 -0
- 8ts0_H_L_A_sample_0_rmsd_backbone.json +59 -0
- 8tv1_D_E_C_sample_0_rmsd_backbone.json +59 -0
- 8tvj_H_L_E_sample_1_rmsd_backbone.json +59 -0
- 8txp_H_L_AB_sample_0_rmsd_backbone.json +59 -0
- 8tzu_D__B_sample_0_rmsd_backbone.json +39 -0
- 8u1c_H_L_A_sample_4_rmsd.json +59 -0
- 8u1q_H_L_A_sample_2_rmsd_backbone.json +59 -0
- 8udz_C_D_B_sample_4_rmsd.json +59 -0
- 8uoa_B__A_sample_3_rmsd.json +39 -0
- 8v7o_H_L_A_sample_1_rmsd.json +59 -0
- 8vdl_H_L_C_sample_2_rmsd_backbone.json +59 -0
- 8vqd_C_B_A_sample_1_rmsd_backbone.json +59 -0
- 8vqd_C_B_A_sample_3_rmsd.json +59 -0
- 8vuh_H_L_A_sample_2_rmsd.json +59 -0
- 8vuj_H_L_A_sample_1_rmsd.json +59 -0
- 8vuj_H_L_A_sample_2_rmsd.json +59 -0
- 8vul_H_L_A_sample_4_rmsd.json +59 -0
- 8vuq_G_I_A_sample_2_rmsd_backbone.json +59 -0
- 8vvh_H_L_A_sample_0_rmsd.json +59 -0
- 8vvk_D_C_B_sample_0_rmsd_backbone.json +59 -0
- 8vww_B_C_A_sample_1_rmsd_backbone.json +59 -0
7vgs_D_C_A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "7vgs_D_C_A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 0.9828308820724487,
|
| 7 |
+
"cdr": 1.1937220692634583,
|
| 8 |
+
"framework": 0.9134664535522461,
|
| 9 |
+
"cdr_fw_aligned": 1.424120843410492
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1788,
|
| 12 |
+
"num_gt_atoms": 1724,
|
| 13 |
+
"num_aligned_atoms": 1724,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9642058165548099,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "D",
|
| 21 |
+
"total": 0.997689425945282,
|
| 22 |
+
"cdr": 1.0237830877304077,
|
| 23 |
+
"framework": 0.9632237553596497,
|
| 24 |
+
"cdr_fw_aligned": 1.3841224908828735,
|
| 25 |
+
"cdr1": 0.9561706781387329,
|
| 26 |
+
"cdr2": 0.7696845531463623,
|
| 27 |
+
"cdr3": 0.4788135588169098,
|
| 28 |
+
"cdr1_fw_aligned": 1.7309834957122803,
|
| 29 |
+
"cdr2_fw_aligned": 1.2263942956924438,
|
| 30 |
+
"cdr3_fw_aligned": 0.8015927076339722,
|
| 31 |
+
"num_residues": 213,
|
| 32 |
+
"num_cdr_residues": 17
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "C",
|
| 36 |
+
"total": 0.9679723381996155,
|
| 37 |
+
"cdr": 1.3636610507965088,
|
| 38 |
+
"framework": 0.8637091517448425,
|
| 39 |
+
"cdr_fw_aligned": 1.4641191959381104,
|
| 40 |
+
"cdr1": 1.5018010139465332,
|
| 41 |
+
"cdr2": 0.9359524250030518,
|
| 42 |
+
"cdr3": 0.9444239139556885,
|
| 43 |
+
"cdr1_fw_aligned": 1.6950422525405884,
|
| 44 |
+
"cdr2_fw_aligned": 1.2083287239074707,
|
| 45 |
+
"cdr3_fw_aligned": 1.2080833911895752,
|
| 46 |
+
"num_residues": 218,
|
| 47 |
+
"num_cdr_residues": 31
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 916,
|
| 51 |
+
"num_gt_atoms": 852,
|
| 52 |
+
"num_aligned_atoms": 852
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 872,
|
| 56 |
+
"num_gt_atoms": 872,
|
| 57 |
+
"num_aligned_atoms": 872
|
| 58 |
+
}
|
| 59 |
+
}
|
8e1m_H_L_C_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8e1m_H_L_C_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 0.9128067493438721,
|
| 7 |
+
"cdr": 0.7479583024978638,
|
| 8 |
+
"framework": 0.9212530851364136,
|
| 9 |
+
"cdr_fw_aligned": 0.9487683475017548
|
| 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": 0.9244431257247925,
|
| 22 |
+
"cdr": 0.7555728554725647,
|
| 23 |
+
"framework": 0.9106256365776062,
|
| 24 |
+
"cdr_fw_aligned": 1.0922712087631226,
|
| 25 |
+
"cdr1": 0.4915790855884552,
|
| 26 |
+
"cdr2": 0.2986028492450714,
|
| 27 |
+
"cdr3": 0.5772901177406311,
|
| 28 |
+
"cdr1_fw_aligned": 0.7625976800918579,
|
| 29 |
+
"cdr2_fw_aligned": 1.356956958770752,
|
| 30 |
+
"cdr3_fw_aligned": 1.1495870351791382,
|
| 31 |
+
"num_residues": 117,
|
| 32 |
+
"num_cdr_residues": 21
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 0.9011703729629517,
|
| 37 |
+
"cdr": 0.7403437495231628,
|
| 38 |
+
"framework": 0.931880533695221,
|
| 39 |
+
"cdr_fw_aligned": 0.805265486240387,
|
| 40 |
+
"cdr1": 0.8755870461463928,
|
| 41 |
+
"cdr2": 0.49009451270103455,
|
| 42 |
+
"cdr3": 0.4013836979866028,
|
| 43 |
+
"cdr1_fw_aligned": 1.019099235534668,
|
| 44 |
+
"cdr2_fw_aligned": 0.5437095761299133,
|
| 45 |
+
"cdr3_fw_aligned": 0.5047755837440491,
|
| 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 |
+
}
|
8q7o_A__C_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8q7o_A__C_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 0.908379077911377,
|
| 7 |
+
"cdr": 1.4018304347991943,
|
| 8 |
+
"framework": 0.6340494155883789,
|
| 9 |
+
"cdr_fw_aligned": 1.7459232807159424
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 496,
|
| 12 |
+
"num_gt_atoms": 480,
|
| 13 |
+
"num_aligned_atoms": 480,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.967741935483871,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "A",
|
| 21 |
+
"total": 0.908379077911377,
|
| 22 |
+
"cdr": 1.4018304347991943,
|
| 23 |
+
"framework": 0.6340494155883789,
|
| 24 |
+
"cdr_fw_aligned": 1.7459232807159424,
|
| 25 |
+
"cdr1": 1.9050248861312866,
|
| 26 |
+
"cdr2": 0.21986104547977448,
|
| 27 |
+
"cdr3": 0.9108061790466309,
|
| 28 |
+
"cdr1_fw_aligned": 2.2780611515045166,
|
| 29 |
+
"cdr2_fw_aligned": 0.8254239559173584,
|
| 30 |
+
"cdr3_fw_aligned": 1.66176438331604,
|
| 31 |
+
"num_residues": 120,
|
| 32 |
+
"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 496,
|
| 36 |
+
"num_gt_atoms": 480,
|
| 37 |
+
"num_aligned_atoms": 480
|
| 38 |
+
}
|
| 39 |
+
}
|
8q7s_F__D_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8q7s_F__D_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.3403395414352417,
|
| 7 |
+
"cdr": 2.2152562141418457,
|
| 8 |
+
"framework": 0.4649382531642914,
|
| 9 |
+
"cdr_fw_aligned": 2.683621644973755
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 524,
|
| 12 |
+
"num_gt_atoms": 512,
|
| 13 |
+
"num_aligned_atoms": 512,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9770992366412213,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "F",
|
| 21 |
+
"total": 1.3403395414352417,
|
| 22 |
+
"cdr": 2.2152562141418457,
|
| 23 |
+
"framework": 0.4649382531642914,
|
| 24 |
+
"cdr_fw_aligned": 2.683621644973755,
|
| 25 |
+
"cdr1": 2.2882297039031982,
|
| 26 |
+
"cdr2": 0.24485786259174347,
|
| 27 |
+
"cdr3": 1.6127192974090576,
|
| 28 |
+
"cdr1_fw_aligned": 4.768205165863037,
|
| 29 |
+
"cdr2_fw_aligned": 0.9683390259742737,
|
| 30 |
+
"cdr3_fw_aligned": 1.8592859506607056,
|
| 31 |
+
"num_residues": 128,
|
| 32 |
+
"num_cdr_residues": 32
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 524,
|
| 36 |
+
"num_gt_atoms": 512,
|
| 37 |
+
"num_aligned_atoms": 512
|
| 38 |
+
}
|
| 39 |
+
}
|
8qz3_C__B_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8qz3_C__B_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 0.6946188807487488,
|
| 7 |
+
"cdr": 1.03939950466156,
|
| 8 |
+
"framework": 0.49430567026138306,
|
| 9 |
+
"cdr_fw_aligned": 1.1275442838668823
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 548,
|
| 12 |
+
"num_gt_atoms": 508,
|
| 13 |
+
"num_aligned_atoms": 508,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.927007299270073,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
+
"total": 0.6946188807487488,
|
| 22 |
+
"cdr": 1.03939950466156,
|
| 23 |
+
"framework": 0.49430567026138306,
|
| 24 |
+
"cdr_fw_aligned": 1.1275442838668823,
|
| 25 |
+
"cdr1": 1.3057888746261597,
|
| 26 |
+
"cdr2": 0.25009050965309143,
|
| 27 |
+
"cdr3": 0.8813636302947998,
|
| 28 |
+
"cdr1_fw_aligned": 1.480367660522461,
|
| 29 |
+
"cdr2_fw_aligned": 0.5795623660087585,
|
| 30 |
+
"cdr3_fw_aligned": 1.106955647468567,
|
| 31 |
+
"num_residues": 127,
|
| 32 |
+
"num_cdr_residues": 31
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 548,
|
| 36 |
+
"num_gt_atoms": 508,
|
| 37 |
+
"num_aligned_atoms": 508
|
| 38 |
+
}
|
| 39 |
+
}
|
8r1c_H_L_A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r1c_H_L_A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.2723436653614044,
|
| 7 |
+
"cdr": 2.06523697078228,
|
| 8 |
+
"framework": 0.6101528108119965,
|
| 9 |
+
"cdr_fw_aligned": 2.3870230317115784
|
| 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": 1.9672349691390991,
|
| 22 |
+
"cdr": 3.63376522064209,
|
| 23 |
+
"framework": 0.6484965682029724,
|
| 24 |
+
"cdr_fw_aligned": 4.144108295440674,
|
| 25 |
+
"cdr1": 1.0342681407928467,
|
| 26 |
+
"cdr2": 0.4692291021347046,
|
| 27 |
+
"cdr3": 4.291308879852295,
|
| 28 |
+
"cdr1_fw_aligned": 1.1525787115097046,
|
| 29 |
+
"cdr2_fw_aligned": 0.6135716438293457,
|
| 30 |
+
"cdr3_fw_aligned": 5.775705337524414,
|
| 31 |
+
"num_residues": 124,
|
| 32 |
+
"num_cdr_residues": 28
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 0.5774523615837097,
|
| 37 |
+
"cdr": 0.4967087209224701,
|
| 38 |
+
"framework": 0.5718090534210205,
|
| 39 |
+
"cdr_fw_aligned": 0.6299377679824829,
|
| 40 |
+
"cdr1": 0.5327921509742737,
|
| 41 |
+
"cdr2": 0.27826476097106934,
|
| 42 |
+
"cdr3": 0.29604145884513855,
|
| 43 |
+
"cdr1_fw_aligned": 0.736007571220398,
|
| 44 |
+
"cdr2_fw_aligned": 0.5883298516273499,
|
| 45 |
+
"cdr3_fw_aligned": 0.47906795144081116,
|
| 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 |
+
}
|
8r4b_B__A_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r4b_B__A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 2.638413190841675,
|
| 7 |
+
"cdr": 3.631716012954712,
|
| 8 |
+
"framework": 1.6671521663665771,
|
| 9 |
+
"cdr_fw_aligned": 4.53972864151001
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 548,
|
| 12 |
+
"num_gt_atoms": 428,
|
| 13 |
+
"num_aligned_atoms": 428,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.781021897810219,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
+
"total": 2.638413190841675,
|
| 22 |
+
"cdr": 3.631716012954712,
|
| 23 |
+
"framework": 1.6671521663665771,
|
| 24 |
+
"cdr_fw_aligned": 4.53972864151001,
|
| 25 |
+
"cdr1": 0.9945237636566162,
|
| 26 |
+
"cdr2": 1.616943597793579,
|
| 27 |
+
"cdr3": 2.10815167427063,
|
| 28 |
+
"cdr1_fw_aligned": 3.661302089691162,
|
| 29 |
+
"cdr2_fw_aligned": 3.452657699584961,
|
| 30 |
+
"cdr3_fw_aligned": 5.238914966583252,
|
| 31 |
+
"num_residues": 107,
|
| 32 |
+
"num_cdr_residues": 28
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 548,
|
| 36 |
+
"num_gt_atoms": 428,
|
| 37 |
+
"num_aligned_atoms": 428
|
| 38 |
+
}
|
| 39 |
+
}
|
8r80_H_L_R_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r80_H_L_R_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.3343254923820496,
|
| 7 |
+
"cdr": 2.0348006188869476,
|
| 8 |
+
"framework": 1.1039188504219055,
|
| 9 |
+
"cdr_fw_aligned": 2.731946974992752
|
| 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": 1.6474026441574097,
|
| 22 |
+
"cdr": 3.301771879196167,
|
| 23 |
+
"framework": 1.1739245653152466,
|
| 24 |
+
"cdr_fw_aligned": 4.537084102630615,
|
| 25 |
+
"cdr1": 0.4664601981639862,
|
| 26 |
+
"cdr2": 0.38692227005958557,
|
| 27 |
+
"cdr3": 3.160747528076172,
|
| 28 |
+
"cdr1_fw_aligned": 0.9477848410606384,
|
| 29 |
+
"cdr2_fw_aligned": 1.5654292106628418,
|
| 30 |
+
"cdr3_fw_aligned": 6.462931156158447,
|
| 31 |
+
"num_residues": 220,
|
| 32 |
+
"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 1.0212483406066895,
|
| 37 |
+
"cdr": 0.7678293585777283,
|
| 38 |
+
"framework": 1.0339131355285645,
|
| 39 |
+
"cdr_fw_aligned": 0.9268098473548889,
|
| 40 |
+
"cdr1": 0.42554256319999695,
|
| 41 |
+
"cdr2": 0.4529939889907837,
|
| 42 |
+
"cdr3": 0.8070482015609741,
|
| 43 |
+
"cdr1_fw_aligned": 0.5645630359649658,
|
| 44 |
+
"cdr2_fw_aligned": 0.837698757648468,
|
| 45 |
+
"cdr3_fw_aligned": 1.2772653102874756,
|
| 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_B_C_A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8r9y_B_C_A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 2.208908975124359,
|
| 7 |
+
"cdr": 1.9913158416748047,
|
| 8 |
+
"framework": 1.984427273273468,
|
| 9 |
+
"cdr_fw_aligned": 3.6609299182891846
|
| 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": 2.7059543132781982,
|
| 22 |
+
"cdr": 3.332843065261841,
|
| 23 |
+
"framework": 2.4276304244995117,
|
| 24 |
+
"cdr_fw_aligned": 4.297213077545166,
|
| 25 |
+
"cdr1": 1.7836310863494873,
|
| 26 |
+
"cdr2": 0.3299844563007355,
|
| 27 |
+
"cdr3": 2.659498453140259,
|
| 28 |
+
"cdr1_fw_aligned": 4.777084827423096,
|
| 29 |
+
"cdr2_fw_aligned": 2.7189383506774902,
|
| 30 |
+
"cdr3_fw_aligned": 4.586349964141846,
|
| 31 |
+
"num_residues": 218,
|
| 32 |
+
"num_cdr_residues": 27
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "C",
|
| 36 |
+
"total": 1.71186363697052,
|
| 37 |
+
"cdr": 0.6497886180877686,
|
| 38 |
+
"framework": 1.5412241220474243,
|
| 39 |
+
"cdr_fw_aligned": 3.024646759033203,
|
| 40 |
+
"cdr1": 0.7728704214096069,
|
| 41 |
+
"cdr2": 0.2946441173553467,
|
| 42 |
+
"cdr3": 0.416966050863266,
|
| 43 |
+
"cdr1_fw_aligned": 3.423182249069214,
|
| 44 |
+
"cdr2_fw_aligned": 2.47338604927063,
|
| 45 |
+
"cdr3_fw_aligned": 2.89223575592041,
|
| 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 |
+
}
|
8rrn_H_L_A_sample_1_rmsd_backbone.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": 6.242272138595581,
|
| 7 |
+
"cdr": 2.1929102540016174,
|
| 8 |
+
"framework": 5.689282417297363,
|
| 9 |
+
"cdr_fw_aligned": 10.267172813415527
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1808,
|
| 12 |
+
"num_gt_atoms": 1748,
|
| 13 |
+
"num_aligned_atoms": 1748,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9668141592920354,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 5.684149265289307,
|
| 22 |
+
"cdr": 3.719599485397339,
|
| 23 |
+
"framework": 5.359317302703857,
|
| 24 |
+
"cdr_fw_aligned": 8.445242881774902,
|
| 25 |
+
"cdr1": 1.7956503629684448,
|
| 26 |
+
"cdr2": 0.3073827922344208,
|
| 27 |
+
"cdr3": 3.5293922424316406,
|
| 28 |
+
"cdr1_fw_aligned": 10.627911567687988,
|
| 29 |
+
"cdr2_fw_aligned": 9.34030532836914,
|
| 30 |
+
"cdr3_fw_aligned": 6.7473649978637695,
|
| 31 |
+
"num_residues": 224,
|
| 32 |
+
"num_cdr_residues": 28
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 6.8003950119018555,
|
| 37 |
+
"cdr": 0.666221022605896,
|
| 38 |
+
"framework": 6.019247531890869,
|
| 39 |
+
"cdr_fw_aligned": 12.089102745056152,
|
| 40 |
+
"cdr1": 0.67952960729599,
|
| 41 |
+
"cdr2": 0.5899348258972168,
|
| 42 |
+
"cdr3": 0.31203585863113403,
|
| 43 |
+
"cdr1_fw_aligned": 13.105927467346191,
|
| 44 |
+
"cdr2_fw_aligned": 8.99892520904541,
|
| 45 |
+
"cdr3_fw_aligned": 12.450289726257324,
|
| 46 |
+
"num_residues": 213,
|
| 47 |
+
"num_cdr_residues": 32
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 940,
|
| 51 |
+
"num_gt_atoms": 896,
|
| 52 |
+
"num_aligned_atoms": 896
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 868,
|
| 56 |
+
"num_gt_atoms": 852,
|
| 57 |
+
"num_aligned_atoms": 852
|
| 58 |
+
}
|
| 59 |
+
}
|
8s0l_B__A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8s0l_B__A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.588903784751892,
|
| 7 |
+
"cdr": 2.639996290206909,
|
| 8 |
+
"framework": 1.088200330734253,
|
| 9 |
+
"cdr_fw_aligned": 2.92252516746521
|
| 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": 1.588903784751892,
|
| 22 |
+
"cdr": 2.639996290206909,
|
| 23 |
+
"framework": 1.088200330734253,
|
| 24 |
+
"cdr_fw_aligned": 2.92252516746521,
|
| 25 |
+
"cdr1": 0.784091055393219,
|
| 26 |
+
"cdr2": 0.2750374376773834,
|
| 27 |
+
"cdr3": 3.2699313163757324,
|
| 28 |
+
"cdr1_fw_aligned": 1.4763153791427612,
|
| 29 |
+
"cdr2_fw_aligned": 0.490861177444458,
|
| 30 |
+
"cdr3_fw_aligned": 3.6872334480285645,
|
| 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 |
+
}
|
8s0l_B__A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8s0l_B__A_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.6292744874954224,
|
| 7 |
+
"cdr": 2.5425865650177,
|
| 8 |
+
"framework": 1.1954851150512695,
|
| 9 |
+
"cdr_fw_aligned": 2.8711509704589844
|
| 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": 1.6292744874954224,
|
| 22 |
+
"cdr": 2.5425865650177,
|
| 23 |
+
"framework": 1.1954851150512695,
|
| 24 |
+
"cdr_fw_aligned": 2.8711509704589844,
|
| 25 |
+
"cdr1": 0.5126615762710571,
|
| 26 |
+
"cdr2": 0.3686968982219696,
|
| 27 |
+
"cdr3": 3.209228754043579,
|
| 28 |
+
"cdr1_fw_aligned": 0.907937228679657,
|
| 29 |
+
"cdr2_fw_aligned": 0.4912695288658142,
|
| 30 |
+
"cdr3_fw_aligned": 3.69674015045166,
|
| 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_0_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8s5w_B__A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 2.9633188247680664,
|
| 7 |
+
"cdr": 5.1026411056518555,
|
| 8 |
+
"framework": 1.2859166860580444,
|
| 9 |
+
"cdr_fw_aligned": 7.077395915985107
|
| 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": 2.9633188247680664,
|
| 22 |
+
"cdr": 5.1026411056518555,
|
| 23 |
+
"framework": 1.2859166860580444,
|
| 24 |
+
"cdr_fw_aligned": 7.077395915985107,
|
| 25 |
+
"cdr1": 2.9147939682006836,
|
| 26 |
+
"cdr2": 1.725845217704773,
|
| 27 |
+
"cdr3": 3.8167686462402344,
|
| 28 |
+
"cdr1_fw_aligned": 4.180643081665039,
|
| 29 |
+
"cdr2_fw_aligned": 2.214959144592285,
|
| 30 |
+
"cdr3_fw_aligned": 9.17885971069336,
|
| 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_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8scx_H_L_C_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 0.9447479844093323,
|
| 7 |
+
"cdr": 0.6789445281028748,
|
| 8 |
+
"framework": 0.9656991362571716,
|
| 9 |
+
"cdr_fw_aligned": 0.9102557003498077
|
| 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": 1.0535941123962402,
|
| 22 |
+
"cdr": 0.7667689323425293,
|
| 23 |
+
"framework": 1.062780737876892,
|
| 24 |
+
"cdr_fw_aligned": 1.0346577167510986,
|
| 25 |
+
"cdr1": 0.42091071605682373,
|
| 26 |
+
"cdr2": 0.296600878238678,
|
| 27 |
+
"cdr3": 0.6119908690452576,
|
| 28 |
+
"cdr1_fw_aligned": 0.5537645816802979,
|
| 29 |
+
"cdr2_fw_aligned": 1.335713267326355,
|
| 30 |
+
"cdr3_fw_aligned": 1.1282742023468018,
|
| 31 |
+
"num_residues": 117,
|
| 32 |
+
"num_cdr_residues": 21
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 0.8359018564224243,
|
| 37 |
+
"cdr": 0.5911201238632202,
|
| 38 |
+
"framework": 0.8686175346374512,
|
| 39 |
+
"cdr_fw_aligned": 0.7858536839485168,
|
| 40 |
+
"cdr1": 0.586401641368866,
|
| 41 |
+
"cdr2": 0.4378492534160614,
|
| 42 |
+
"cdr3": 0.5036931037902832,
|
| 43 |
+
"cdr1_fw_aligned": 0.8063139319419861,
|
| 44 |
+
"cdr2_fw_aligned": 0.5763502717018127,
|
| 45 |
+
"cdr3_fw_aligned": 0.8790405988693237,
|
| 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_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sdg_G_I_C_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.9254379272460938,
|
| 7 |
+
"cdr": 2.49992835521698,
|
| 8 |
+
"framework": 1.570778250694275,
|
| 9 |
+
"cdr_fw_aligned": 3.717392325401306
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1764,
|
| 12 |
+
"num_gt_atoms": 1728,
|
| 13 |
+
"num_aligned_atoms": 1728,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9795918367346939,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "G",
|
| 21 |
+
"total": 2.069308280944824,
|
| 22 |
+
"cdr": 3.3564610481262207,
|
| 23 |
+
"framework": 1.6412732601165771,
|
| 24 |
+
"cdr_fw_aligned": 4.037008285522461,
|
| 25 |
+
"cdr1": 0.5328332781791687,
|
| 26 |
+
"cdr2": 1.0718300342559814,
|
| 27 |
+
"cdr3": 3.2636656761169434,
|
| 28 |
+
"cdr1_fw_aligned": 1.639726161956787,
|
| 29 |
+
"cdr2_fw_aligned": 1.3798644542694092,
|
| 30 |
+
"cdr3_fw_aligned": 5.699361801147461,
|
| 31 |
+
"num_residues": 219,
|
| 32 |
+
"num_cdr_residues": 28
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "I",
|
| 36 |
+
"total": 1.7815675735473633,
|
| 37 |
+
"cdr": 1.6433956623077393,
|
| 38 |
+
"framework": 1.5002832412719727,
|
| 39 |
+
"cdr_fw_aligned": 3.3977763652801514,
|
| 40 |
+
"cdr1": 0.36589953303337097,
|
| 41 |
+
"cdr2": 0.39087915420532227,
|
| 42 |
+
"cdr3": 2.195432186126709,
|
| 43 |
+
"cdr1_fw_aligned": 2.664466142654419,
|
| 44 |
+
"cdr2_fw_aligned": 2.1135008335113525,
|
| 45 |
+
"cdr3_fw_aligned": 4.527099132537842,
|
| 46 |
+
"num_residues": 213,
|
| 47 |
+
"num_cdr_residues": 29
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 904,
|
| 51 |
+
"num_gt_atoms": 876,
|
| 52 |
+
"num_aligned_atoms": 876
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 860,
|
| 56 |
+
"num_gt_atoms": 852,
|
| 57 |
+
"num_aligned_atoms": 852
|
| 58 |
+
}
|
| 59 |
+
}
|
8sfx_D__B_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sfx_D__B_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.3573970794677734,
|
| 7 |
+
"cdr": 0.7175555229187012,
|
| 8 |
+
"framework": 1.4002214670181274,
|
| 9 |
+
"cdr_fw_aligned": 1.2415040731430054
|
| 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": 1.3573970794677734,
|
| 22 |
+
"cdr": 0.7175555229187012,
|
| 23 |
+
"framework": 1.4002214670181274,
|
| 24 |
+
"cdr_fw_aligned": 1.2415040731430054,
|
| 25 |
+
"cdr1": 0.28987306356430054,
|
| 26 |
+
"cdr2": 0.351069837808609,
|
| 27 |
+
"cdr3": 0.5909658074378967,
|
| 28 |
+
"cdr1_fw_aligned": 0.8955893516540527,
|
| 29 |
+
"cdr2_fw_aligned": 1.9330477714538574,
|
| 30 |
+
"cdr3_fw_aligned": 0.9652749300003052,
|
| 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 |
+
}
|
8sgj_H_L_A_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8sgj_H_L_A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.161782145500183,
|
| 7 |
+
"cdr": 1.5210711061954498,
|
| 8 |
+
"framework": 1.0259518921375275,
|
| 9 |
+
"cdr_fw_aligned": 1.674567073583603
|
| 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": 1.3972018957138062,
|
| 22 |
+
"cdr": 2.3870022296905518,
|
| 23 |
+
"framework": 1.1009923219680786,
|
| 24 |
+
"cdr_fw_aligned": 2.453751802444458,
|
| 25 |
+
"cdr1": 0.8919230103492737,
|
| 26 |
+
"cdr2": 0.4232068657875061,
|
| 27 |
+
"cdr3": 3.2500181198120117,
|
| 28 |
+
"cdr1_fw_aligned": 1.1960108280181885,
|
| 29 |
+
"cdr2_fw_aligned": 0.6912714838981628,
|
| 30 |
+
"cdr3_fw_aligned": 3.4363808631896973,
|
| 31 |
+
"num_residues": 121,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 0.9263623952865601,
|
| 37 |
+
"cdr": 0.6551399827003479,
|
| 38 |
+
"framework": 0.9509114623069763,
|
| 39 |
+
"cdr_fw_aligned": 0.8953823447227478,
|
| 40 |
+
"cdr1": 0.4600811302661896,
|
| 41 |
+
"cdr2": 0.5745049715042114,
|
| 42 |
+
"cdr3": 0.7391380667686462,
|
| 43 |
+
"cdr1_fw_aligned": 0.793617308139801,
|
| 44 |
+
"cdr2_fw_aligned": 0.9388630390167236,
|
| 45 |
+
"cdr3_fw_aligned": 1.001942753791809,
|
| 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 |
+
}
|
8slb_H_L_A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8slb_H_L_A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 2.183677911758423,
|
| 7 |
+
"cdr": 2.324205458164215,
|
| 8 |
+
"framework": 1.2628598809242249,
|
| 9 |
+
"cdr_fw_aligned": 4.992741346359253
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1820,
|
| 12 |
+
"num_gt_atoms": 1744,
|
| 13 |
+
"num_aligned_atoms": 1744,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9582417582417583,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 3.2511253356933594,
|
| 22 |
+
"cdr": 4.3571906089782715,
|
| 23 |
+
"framework": 1.4208534955978394,
|
| 24 |
+
"cdr_fw_aligned": 8.700815200805664,
|
| 25 |
+
"cdr1": 0.382311075925827,
|
| 26 |
+
"cdr2": 0.22681275010108948,
|
| 27 |
+
"cdr3": 4.071142196655273,
|
| 28 |
+
"cdr1_fw_aligned": 1.7122118473052979,
|
| 29 |
+
"cdr2_fw_aligned": 1.3967903852462769,
|
| 30 |
+
"cdr3_fw_aligned": 11.001542091369629,
|
| 31 |
+
"num_residues": 222,
|
| 32 |
+
"num_cdr_residues": 34
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 1.1162304878234863,
|
| 37 |
+
"cdr": 0.2912203073501587,
|
| 38 |
+
"framework": 1.1048662662506104,
|
| 39 |
+
"cdr_fw_aligned": 1.2846674919128418,
|
| 40 |
+
"cdr1": 0.20905771851539612,
|
| 41 |
+
"cdr2": 0.17046277225017548,
|
| 42 |
+
"cdr3": 0.2588721811771393,
|
| 43 |
+
"cdr1_fw_aligned": 0.9194203615188599,
|
| 44 |
+
"cdr2_fw_aligned": 1.6042563915252686,
|
| 45 |
+
"cdr3_fw_aligned": 1.3842668533325195,
|
| 46 |
+
"num_residues": 214,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 960,
|
| 51 |
+
"num_gt_atoms": 888,
|
| 52 |
+
"num_aligned_atoms": 888
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 860,
|
| 56 |
+
"num_gt_atoms": 856,
|
| 57 |
+
"num_aligned_atoms": 856
|
| 58 |
+
}
|
| 59 |
+
}
|
8so3_Y_Z_X_sample_3_rmsd_backbone.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": 9.32804012298584,
|
| 7 |
+
"cdr": 0.8872445821762085,
|
| 8 |
+
"framework": 8.960303783416748,
|
| 9 |
+
"cdr_fw_aligned": 12.690039157867432
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1960,
|
| 12 |
+
"num_gt_atoms": 1715,
|
| 13 |
+
"num_aligned_atoms": 1715,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.875,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "Y",
|
| 21 |
+
"total": 8.537158012390137,
|
| 22 |
+
"cdr": 1.0408729314804077,
|
| 23 |
+
"framework": 8.290806770324707,
|
| 24 |
+
"cdr_fw_aligned": 11.91513729095459,
|
| 25 |
+
"cdr1": 0.49481984972953796,
|
| 26 |
+
"cdr2": 0.38376694917678833,
|
| 27 |
+
"cdr3": 0.7590152025222778,
|
| 28 |
+
"cdr1_fw_aligned": 12.504125595092773,
|
| 29 |
+
"cdr2_fw_aligned": 9.515227317810059,
|
| 30 |
+
"cdr3_fw_aligned": 12.75779914855957,
|
| 31 |
+
"num_residues": 213,
|
| 32 |
+
"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "Z",
|
| 36 |
+
"total": 10.118922233581543,
|
| 37 |
+
"cdr": 0.7336162328720093,
|
| 38 |
+
"framework": 9.629800796508789,
|
| 39 |
+
"cdr_fw_aligned": 13.464941024780273,
|
| 40 |
+
"cdr1": 0.6875713467597961,
|
| 41 |
+
"cdr2": 0.4488908350467682,
|
| 42 |
+
"cdr3": 0.49517038464546204,
|
| 43 |
+
"cdr1_fw_aligned": 13.655085563659668,
|
| 44 |
+
"cdr2_fw_aligned": 10.055440902709961,
|
| 45 |
+
"cdr3_fw_aligned": 15.332418441772461,
|
| 46 |
+
"num_residues": 216,
|
| 47 |
+
"num_cdr_residues": 31
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 1008,
|
| 51 |
+
"num_gt_atoms": 852,
|
| 52 |
+
"num_aligned_atoms": 852
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 952,
|
| 56 |
+
"num_gt_atoms": 863,
|
| 57 |
+
"num_aligned_atoms": 863
|
| 58 |
+
}
|
| 59 |
+
}
|
8t9b_C_G_L_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8t9b_C_G_L_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 4.410744071006775,
|
| 7 |
+
"cdr": 4.527111530303955,
|
| 8 |
+
"framework": 3.595479965209961,
|
| 9 |
+
"cdr_fw_aligned": 9.478325366973877
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 3331,
|
| 12 |
+
"num_gt_atoms": 3253,
|
| 13 |
+
"num_aligned_atoms": 3099,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9303512458721105,
|
| 16 |
+
"gt_coverage": 0.9526590839225331,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
+
"total": 5.063994884490967,
|
| 22 |
+
"cdr": 5.289459705352783,
|
| 23 |
+
"framework": 3.7584047317504883,
|
| 24 |
+
"cdr_fw_aligned": 12.428199768066406,
|
| 25 |
+
"cdr1": 0.8186877369880676,
|
| 26 |
+
"cdr2": 0.505222737789154,
|
| 27 |
+
"cdr3": 4.997099876403809,
|
| 28 |
+
"cdr1_fw_aligned": 6.0255560874938965,
|
| 29 |
+
"cdr2_fw_aligned": 4.863321781158447,
|
| 30 |
+
"cdr3_fw_aligned": 15.204655647277832,
|
| 31 |
+
"num_residues": 230,
|
| 32 |
+
"num_cdr_residues": 33
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "G",
|
| 36 |
+
"total": 3.757493257522583,
|
| 37 |
+
"cdr": 3.764763355255127,
|
| 38 |
+
"framework": 3.4325551986694336,
|
| 39 |
+
"cdr_fw_aligned": 6.528450965881348,
|
| 40 |
+
"cdr1": 2.3960964679718018,
|
| 41 |
+
"cdr2": 2.4609286785125732,
|
| 42 |
+
"cdr3": 2.33794903755188,
|
| 43 |
+
"cdr1_fw_aligned": 6.96674919128418,
|
| 44 |
+
"cdr2_fw_aligned": 3.991690158843994,
|
| 45 |
+
"cdr3_fw_aligned": 7.300675868988037,
|
| 46 |
+
"num_residues": 210,
|
| 47 |
+
"num_cdr_residues": 30
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 1722,
|
| 51 |
+
"num_gt_atoms": 1707,
|
| 52 |
+
"num_aligned_atoms": 1604
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 1609,
|
| 56 |
+
"num_gt_atoms": 1546,
|
| 57 |
+
"num_aligned_atoms": 1495
|
| 58 |
+
}
|
| 59 |
+
}
|
8tbb_H_L_D_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tbb_H_L_D_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.7923797965049744,
|
| 7 |
+
"cdr": 0.524083137512207,
|
| 8 |
+
"framework": 1.6974437236785889,
|
| 9 |
+
"cdr_fw_aligned": 2.6864923238754272
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1760,
|
| 12 |
+
"num_gt_atoms": 1732,
|
| 13 |
+
"num_aligned_atoms": 1732,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9840909090909091,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 2.112987995147705,
|
| 22 |
+
"cdr": 0.6911793351173401,
|
| 23 |
+
"framework": 1.9756132364273071,
|
| 24 |
+
"cdr_fw_aligned": 3.22155499458313,
|
| 25 |
+
"cdr1": 0.32967111468315125,
|
| 26 |
+
"cdr2": 0.23698413372039795,
|
| 27 |
+
"cdr3": 0.43278223276138306,
|
| 28 |
+
"cdr1_fw_aligned": 3.7584385871887207,
|
| 29 |
+
"cdr2_fw_aligned": 3.8123764991760254,
|
| 30 |
+
"cdr3_fw_aligned": 2.5929958820343018,
|
| 31 |
+
"num_residues": 219,
|
| 32 |
+
"num_cdr_residues": 27
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 1.4717715978622437,
|
| 37 |
+
"cdr": 0.356986939907074,
|
| 38 |
+
"framework": 1.4192742109298706,
|
| 39 |
+
"cdr_fw_aligned": 2.1514296531677246,
|
| 40 |
+
"cdr1": 0.23719727993011475,
|
| 41 |
+
"cdr2": 0.26325657963752747,
|
| 42 |
+
"cdr3": 0.2727939486503601,
|
| 43 |
+
"cdr1_fw_aligned": 2.3392562866210938,
|
| 44 |
+
"cdr2_fw_aligned": 2.4366872310638428,
|
| 45 |
+
"cdr3_fw_aligned": 1.6061750650405884,
|
| 46 |
+
"num_residues": 214,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 904,
|
| 51 |
+
"num_gt_atoms": 876,
|
| 52 |
+
"num_aligned_atoms": 876
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 856,
|
| 56 |
+
"num_gt_atoms": 856,
|
| 57 |
+
"num_aligned_atoms": 856
|
| 58 |
+
}
|
| 59 |
+
}
|
8tco_F_G_C_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tco_F_G_C_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.9877577126026154,
|
| 7 |
+
"cdr": 2.8975788056850433,
|
| 8 |
+
"framework": 0.7150303721427917,
|
| 9 |
+
"cdr_fw_aligned": 3.847628355026245
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1852,
|
| 12 |
+
"num_gt_atoms": 936,
|
| 13 |
+
"num_aligned_atoms": 936,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.5053995680345572,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "F",
|
| 21 |
+
"total": 3.318807363510132,
|
| 22 |
+
"cdr": 5.1238884925842285,
|
| 23 |
+
"framework": 0.8312088847160339,
|
| 24 |
+
"cdr_fw_aligned": 6.8427019119262695,
|
| 25 |
+
"cdr1": 0.9649652242660522,
|
| 26 |
+
"cdr2": 0.4438086450099945,
|
| 27 |
+
"cdr3": 3.9688515663146973,
|
| 28 |
+
"cdr1_fw_aligned": 2.0422210693359375,
|
| 29 |
+
"cdr2_fw_aligned": 8.71982479095459,
|
| 30 |
+
"cdr3_fw_aligned": 7.301463603973389,
|
| 31 |
+
"num_residues": 128,
|
| 32 |
+
"num_cdr_residues": 32
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "G",
|
| 36 |
+
"total": 0.6567080616950989,
|
| 37 |
+
"cdr": 0.6712691187858582,
|
| 38 |
+
"framework": 0.5988518595695496,
|
| 39 |
+
"cdr_fw_aligned": 0.8525547981262207,
|
| 40 |
+
"cdr1": 0.6234050393104553,
|
| 41 |
+
"cdr2": 0.7849026322364807,
|
| 42 |
+
"cdr3": 0.2775098979473114,
|
| 43 |
+
"cdr1_fw_aligned": 0.8473652005195618,
|
| 44 |
+
"cdr2_fw_aligned": 1.0432711839675903,
|
| 45 |
+
"cdr3_fw_aligned": 0.6953317523002625,
|
| 46 |
+
"num_residues": 106,
|
| 47 |
+
"num_cdr_residues": 28
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 916,
|
| 51 |
+
"num_gt_atoms": 512,
|
| 52 |
+
"num_aligned_atoms": 512
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 936,
|
| 56 |
+
"num_gt_atoms": 424,
|
| 57 |
+
"num_aligned_atoms": 424
|
| 58 |
+
}
|
| 59 |
+
}
|
8tg9_H_L_A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tg9_H_L_A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 2.6342992782592773,
|
| 7 |
+
"cdr": 1.4100423753261566,
|
| 8 |
+
"framework": 2.425692319869995,
|
| 9 |
+
"cdr_fw_aligned": 4.289698362350464
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1768,
|
| 12 |
+
"num_gt_atoms": 1708,
|
| 13 |
+
"num_aligned_atoms": 1708,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9660633484162896,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 2.659651279449463,
|
| 22 |
+
"cdr": 2.0528173446655273,
|
| 23 |
+
"framework": 2.391188859939575,
|
| 24 |
+
"cdr_fw_aligned": 4.535961151123047,
|
| 25 |
+
"cdr1": 0.43133431673049927,
|
| 26 |
+
"cdr2": 0.5081122517585754,
|
| 27 |
+
"cdr3": 1.9654221534729004,
|
| 28 |
+
"cdr1_fw_aligned": 4.280458450317383,
|
| 29 |
+
"cdr2_fw_aligned": 4.581465721130371,
|
| 30 |
+
"cdr3_fw_aligned": 4.6325249671936035,
|
| 31 |
+
"num_residues": 214,
|
| 32 |
+
"num_cdr_residues": 28
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 2.608947277069092,
|
| 37 |
+
"cdr": 0.7672674059867859,
|
| 38 |
+
"framework": 2.460195779800415,
|
| 39 |
+
"cdr_fw_aligned": 4.043435573577881,
|
| 40 |
+
"cdr1": 0.7154543995857239,
|
| 41 |
+
"cdr2": 0.8942318558692932,
|
| 42 |
+
"cdr3": 0.24331557750701904,
|
| 43 |
+
"cdr1_fw_aligned": 4.258260250091553,
|
| 44 |
+
"cdr2_fw_aligned": 4.239184379577637,
|
| 45 |
+
"cdr3_fw_aligned": 3.5324819087982178,
|
| 46 |
+
"num_residues": 213,
|
| 47 |
+
"num_cdr_residues": 26
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 916,
|
| 51 |
+
"num_gt_atoms": 856,
|
| 52 |
+
"num_aligned_atoms": 856
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 852,
|
| 56 |
+
"num_gt_atoms": 852,
|
| 57 |
+
"num_aligned_atoms": 852
|
| 58 |
+
}
|
| 59 |
+
}
|
8tl5_G_H_AB_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tl5_G_H_AB_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.3812960088253021,
|
| 7 |
+
"cdr": 1.7419800460338593,
|
| 8 |
+
"framework": 1.0366191267967224,
|
| 9 |
+
"cdr_fw_aligned": 2.3381537199020386
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 3336,
|
| 12 |
+
"num_gt_atoms": 1757,
|
| 13 |
+
"num_aligned_atoms": 1620,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.4856115107913669,
|
| 16 |
+
"gt_coverage": 0.9220261809903244,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "G",
|
| 21 |
+
"total": 1.7960692644119263,
|
| 22 |
+
"cdr": 2.889204978942871,
|
| 23 |
+
"framework": 1.0543873310089111,
|
| 24 |
+
"cdr_fw_aligned": 3.8950977325439453,
|
| 25 |
+
"cdr1": 0.44106757640838623,
|
| 26 |
+
"cdr2": 0.35400494933128357,
|
| 27 |
+
"cdr3": 2.9991002082824707,
|
| 28 |
+
"cdr1_fw_aligned": 0.8463007211685181,
|
| 29 |
+
"cdr2_fw_aligned": 0.6605498194694519,
|
| 30 |
+
"cdr3_fw_aligned": 5.060281753540039,
|
| 31 |
+
"num_residues": 126,
|
| 32 |
+
"num_cdr_residues": 30
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "H",
|
| 36 |
+
"total": 0.966522753238678,
|
| 37 |
+
"cdr": 0.5947551131248474,
|
| 38 |
+
"framework": 1.0188509225845337,
|
| 39 |
+
"cdr_fw_aligned": 0.7812097072601318,
|
| 40 |
+
"cdr1": 0.5236372947692871,
|
| 41 |
+
"cdr2": 0.38375574350357056,
|
| 42 |
+
"cdr3": 0.48617303371429443,
|
| 43 |
+
"cdr1_fw_aligned": 0.7648435831069946,
|
| 44 |
+
"cdr2_fw_aligned": 0.5035185813903809,
|
| 45 |
+
"cdr3_fw_aligned": 0.9293100833892822,
|
| 46 |
+
"num_residues": 107,
|
| 47 |
+
"num_cdr_residues": 28
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 1736,
|
| 51 |
+
"num_gt_atoms": 934,
|
| 52 |
+
"num_aligned_atoms": 872
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 1600,
|
| 56 |
+
"num_gt_atoms": 823,
|
| 57 |
+
"num_aligned_atoms": 748
|
| 58 |
+
}
|
| 59 |
+
}
|
8tng_H__E_sample_4_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tng_H__E_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.5616545677185059,
|
| 7 |
+
"cdr": 2.138256549835205,
|
| 8 |
+
"framework": 1.091040849685669,
|
| 9 |
+
"cdr_fw_aligned": 2.734872579574585
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 484,
|
| 12 |
+
"num_gt_atoms": 484,
|
| 13 |
+
"num_aligned_atoms": 484,
|
| 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": 1.5616545677185059,
|
| 22 |
+
"cdr": 2.138256549835205,
|
| 23 |
+
"framework": 1.091040849685669,
|
| 24 |
+
"cdr_fw_aligned": 2.734872579574585,
|
| 25 |
+
"cdr1": 1.4581940174102783,
|
| 26 |
+
"cdr2": 0.9931017756462097,
|
| 27 |
+
"cdr3": 2.149731159210205,
|
| 28 |
+
"cdr1_fw_aligned": 2.9610533714294434,
|
| 29 |
+
"cdr2_fw_aligned": 1.3269915580749512,
|
| 30 |
+
"cdr3_fw_aligned": 2.8988351821899414,
|
| 31 |
+
"num_residues": 121,
|
| 32 |
+
"num_cdr_residues": 26
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 484,
|
| 36 |
+
"num_gt_atoms": 484,
|
| 37 |
+
"num_aligned_atoms": 484
|
| 38 |
+
}
|
| 39 |
+
}
|
8tnj_E_F_A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tnj_E_F_A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 2.0833787322044373,
|
| 7 |
+
"cdr": 3.271705776453018,
|
| 8 |
+
"framework": 1.0871094465255737,
|
| 9 |
+
"cdr_fw_aligned": 4.09441265463829
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 3353,
|
| 12 |
+
"num_gt_atoms": 1785,
|
| 13 |
+
"num_aligned_atoms": 1640,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.48911422606620936,
|
| 16 |
+
"gt_coverage": 0.9187675070028011,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "E",
|
| 21 |
+
"total": 3.1441893577575684,
|
| 22 |
+
"cdr": 5.750590801239014,
|
| 23 |
+
"framework": 1.1207252740859985,
|
| 24 |
+
"cdr_fw_aligned": 7.273549556732178,
|
| 25 |
+
"cdr1": 0.5882338285446167,
|
| 26 |
+
"cdr2": 0.3288065493106842,
|
| 27 |
+
"cdr3": 4.650361061096191,
|
| 28 |
+
"cdr1_fw_aligned": 0.9304699897766113,
|
| 29 |
+
"cdr2_fw_aligned": 0.9452910423278809,
|
| 30 |
+
"cdr3_fw_aligned": 9.451070785522461,
|
| 31 |
+
"num_residues": 126,
|
| 32 |
+
"num_cdr_residues": 31
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "F",
|
| 36 |
+
"total": 1.0225681066513062,
|
| 37 |
+
"cdr": 0.7928207516670227,
|
| 38 |
+
"framework": 1.053493618965149,
|
| 39 |
+
"cdr_fw_aligned": 0.9152757525444031,
|
| 40 |
+
"cdr1": 0.7763574719429016,
|
| 41 |
+
"cdr2": 0.42815738916397095,
|
| 42 |
+
"cdr3": 0.7930881381034851,
|
| 43 |
+
"cdr1_fw_aligned": 0.8401027321815491,
|
| 44 |
+
"cdr2_fw_aligned": 0.5598928928375244,
|
| 45 |
+
"cdr3_fw_aligned": 1.1499305963516235,
|
| 46 |
+
"num_residues": 107,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 1728,
|
| 51 |
+
"num_gt_atoms": 967,
|
| 52 |
+
"num_aligned_atoms": 880
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 1625,
|
| 56 |
+
"num_gt_atoms": 818,
|
| 57 |
+
"num_aligned_atoms": 760
|
| 58 |
+
}
|
| 59 |
+
}
|
8tnn_H_G_C_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tnn_H_G_C_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 7.784834384918213,
|
| 7 |
+
"cdr": 0.7671746015548706,
|
| 8 |
+
"framework": 7.437423467636108,
|
| 9 |
+
"cdr_fw_aligned": 11.253921031951904
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1788,
|
| 12 |
+
"num_gt_atoms": 1656,
|
| 13 |
+
"num_aligned_atoms": 1656,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9261744966442953,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 7.942346096038818,
|
| 22 |
+
"cdr": 0.8217127323150635,
|
| 23 |
+
"framework": 7.730743885040283,
|
| 24 |
+
"cdr_fw_aligned": 10.45608901977539,
|
| 25 |
+
"cdr1": 0.29579585790634155,
|
| 26 |
+
"cdr2": 0.4846993684768677,
|
| 27 |
+
"cdr3": 0.9035953879356384,
|
| 28 |
+
"cdr1_fw_aligned": 13.209765434265137,
|
| 29 |
+
"cdr2_fw_aligned": 11.890667915344238,
|
| 30 |
+
"cdr3_fw_aligned": 5.895355224609375,
|
| 31 |
+
"num_residues": 210,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "G",
|
| 36 |
+
"total": 7.627322673797607,
|
| 37 |
+
"cdr": 0.7126364707946777,
|
| 38 |
+
"framework": 7.144103050231934,
|
| 39 |
+
"cdr_fw_aligned": 12.051753044128418,
|
| 40 |
+
"cdr1": 0.22808806598186493,
|
| 41 |
+
"cdr2": 0.30948522686958313,
|
| 42 |
+
"cdr3": 0.369474321603775,
|
| 43 |
+
"cdr1_fw_aligned": 14.36670970916748,
|
| 44 |
+
"cdr2_fw_aligned": 9.7195463180542,
|
| 45 |
+
"cdr3_fw_aligned": 10.487525939941406,
|
| 46 |
+
"num_residues": 204,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 936,
|
| 51 |
+
"num_gt_atoms": 840,
|
| 52 |
+
"num_aligned_atoms": 840
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 852,
|
| 56 |
+
"num_gt_atoms": 816,
|
| 57 |
+
"num_aligned_atoms": 816
|
| 58 |
+
}
|
| 59 |
+
}
|
8tp7_D_F_A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tp7_D_F_A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.117984414100647,
|
| 7 |
+
"cdr": 1.45357546210289,
|
| 8 |
+
"framework": 0.8793955147266388,
|
| 9 |
+
"cdr_fw_aligned": 1.868754804134369
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1699,
|
| 12 |
+
"num_gt_atoms": 1772,
|
| 13 |
+
"num_aligned_atoms": 1622,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9546792230723955,
|
| 16 |
+
"gt_coverage": 0.9153498871331829,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "D",
|
| 21 |
+
"total": 1.3552714586257935,
|
| 22 |
+
"cdr": 1.955646276473999,
|
| 23 |
+
"framework": 0.9342239499092102,
|
| 24 |
+
"cdr_fw_aligned": 2.621328830718994,
|
| 25 |
+
"cdr1": 1.1721831560134888,
|
| 26 |
+
"cdr2": 1.416691541671753,
|
| 27 |
+
"cdr3": 1.9103184938430786,
|
| 28 |
+
"cdr1_fw_aligned": 1.5226565599441528,
|
| 29 |
+
"cdr2_fw_aligned": 3.5681684017181396,
|
| 30 |
+
"cdr3_fw_aligned": 2.7370893955230713,
|
| 31 |
+
"num_residues": 126,
|
| 32 |
+
"num_cdr_residues": 30
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "F",
|
| 36 |
+
"total": 0.8806973695755005,
|
| 37 |
+
"cdr": 0.951504647731781,
|
| 38 |
+
"framework": 0.8245670795440674,
|
| 39 |
+
"cdr_fw_aligned": 1.1161807775497437,
|
| 40 |
+
"cdr1": 0.35652923583984375,
|
| 41 |
+
"cdr2": 0.3207539916038513,
|
| 42 |
+
"cdr3": 1.148984670639038,
|
| 43 |
+
"cdr1_fw_aligned": 0.5332521796226501,
|
| 44 |
+
"cdr2_fw_aligned": 0.44855162501335144,
|
| 45 |
+
"cdr3_fw_aligned": 1.7966258525848389,
|
| 46 |
+
"num_residues": 108,
|
| 47 |
+
"num_cdr_residues": 31
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 932,
|
| 51 |
+
"num_gt_atoms": 983,
|
| 52 |
+
"num_aligned_atoms": 896
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 767,
|
| 56 |
+
"num_gt_atoms": 789,
|
| 57 |
+
"num_aligned_atoms": 726
|
| 58 |
+
}
|
| 59 |
+
}
|
8tr3_H_L_A_sample_3_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tr3_H_L_A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.4331240057945251,
|
| 7 |
+
"cdr": 2.1313852667808533,
|
| 8 |
+
"framework": 0.8859024941921234,
|
| 9 |
+
"cdr_fw_aligned": 2.4945935010910034
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 932,
|
| 12 |
+
"num_gt_atoms": 928,
|
| 13 |
+
"num_aligned_atoms": 928,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9957081545064378,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.5575759410858154,
|
| 22 |
+
"cdr": 2.881621837615967,
|
| 23 |
+
"framework": 0.6387410759925842,
|
| 24 |
+
"cdr_fw_aligned": 3.192626953125,
|
| 25 |
+
"cdr1": 0.4139154553413391,
|
| 26 |
+
"cdr2": 0.383483350276947,
|
| 27 |
+
"cdr3": 2.424830436706543,
|
| 28 |
+
"cdr1_fw_aligned": 0.7662385702133179,
|
| 29 |
+
"cdr2_fw_aligned": 0.9102017283439636,
|
| 30 |
+
"cdr3_fw_aligned": 4.292012691497803,
|
| 31 |
+
"num_residues": 124,
|
| 32 |
+
"num_cdr_residues": 28
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 1.3086720705032349,
|
| 37 |
+
"cdr": 1.3811486959457397,
|
| 38 |
+
"framework": 1.1330639123916626,
|
| 39 |
+
"cdr_fw_aligned": 1.7965600490570068,
|
| 40 |
+
"cdr1": 0.3828602135181427,
|
| 41 |
+
"cdr2": 1.2647321224212646,
|
| 42 |
+
"cdr3": 0.8083392977714539,
|
| 43 |
+
"cdr1_fw_aligned": 0.7587671875953674,
|
| 44 |
+
"cdr2_fw_aligned": 3.2748286724090576,
|
| 45 |
+
"cdr3_fw_aligned": 0.9470367431640625,
|
| 46 |
+
"num_residues": 108,
|
| 47 |
+
"num_cdr_residues": 28
|
| 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": 436,
|
| 56 |
+
"num_gt_atoms": 432,
|
| 57 |
+
"num_aligned_atoms": 432
|
| 58 |
+
}
|
| 59 |
+
}
|
8ts0_H_L_A_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8ts0_H_L_A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.3667147159576416,
|
| 7 |
+
"cdr": 0.93589186668396,
|
| 8 |
+
"framework": 1.2325430512428284,
|
| 9 |
+
"cdr_fw_aligned": 2.3172916173934937
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1800,
|
| 12 |
+
"num_gt_atoms": 1708,
|
| 13 |
+
"num_aligned_atoms": 1708,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9488888888888889,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.2129606008529663,
|
| 22 |
+
"cdr": 1.3124961853027344,
|
| 23 |
+
"framework": 1.0738352537155151,
|
| 24 |
+
"cdr_fw_aligned": 2.0977375507354736,
|
| 25 |
+
"cdr1": 0.24192743003368378,
|
| 26 |
+
"cdr2": 0.11095239222049713,
|
| 27 |
+
"cdr3": 1.7167637348175049,
|
| 28 |
+
"cdr1_fw_aligned": 2.0909714698791504,
|
| 29 |
+
"cdr2_fw_aligned": 1.7390340566635132,
|
| 30 |
+
"cdr3_fw_aligned": 2.247436046600342,
|
| 31 |
+
"num_residues": 215,
|
| 32 |
+
"num_cdr_residues": 26
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 1.520468831062317,
|
| 37 |
+
"cdr": 0.5592875480651855,
|
| 38 |
+
"framework": 1.3912508487701416,
|
| 39 |
+
"cdr_fw_aligned": 2.5368456840515137,
|
| 40 |
+
"cdr1": 0.15415872633457184,
|
| 41 |
+
"cdr2": 0.17307861149311066,
|
| 42 |
+
"cdr3": 0.7726315259933472,
|
| 43 |
+
"cdr1_fw_aligned": 2.6768553256988525,
|
| 44 |
+
"cdr2_fw_aligned": 2.060825824737549,
|
| 45 |
+
"cdr3_fw_aligned": 2.676675796508789,
|
| 46 |
+
"num_residues": 212,
|
| 47 |
+
"num_cdr_residues": 28
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 944,
|
| 51 |
+
"num_gt_atoms": 860,
|
| 52 |
+
"num_aligned_atoms": 860
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 856,
|
| 56 |
+
"num_gt_atoms": 848,
|
| 57 |
+
"num_aligned_atoms": 848
|
| 58 |
+
}
|
| 59 |
+
}
|
8tv1_D_E_C_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tv1_D_E_C_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.625772625207901,
|
| 7 |
+
"cdr": 3.298785448074341,
|
| 8 |
+
"framework": 0.6683264374732971,
|
| 9 |
+
"cdr_fw_aligned": 3.987448751926422
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1792,
|
| 12 |
+
"num_gt_atoms": 1760,
|
| 13 |
+
"num_aligned_atoms": 1760,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9821428571428571,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "D",
|
| 21 |
+
"total": 2.5335071086883545,
|
| 22 |
+
"cdr": 5.5185699462890625,
|
| 23 |
+
"framework": 0.7196716666221619,
|
| 24 |
+
"cdr_fw_aligned": 6.740390300750732,
|
| 25 |
+
"cdr1": 0.30652713775634766,
|
| 26 |
+
"cdr2": 0.4017282724380493,
|
| 27 |
+
"cdr3": 5.713612079620361,
|
| 28 |
+
"cdr1_fw_aligned": 0.9233863949775696,
|
| 29 |
+
"cdr2_fw_aligned": 1.7995346784591675,
|
| 30 |
+
"cdr3_fw_aligned": 8.584538459777832,
|
| 31 |
+
"num_residues": 230,
|
| 32 |
+
"num_cdr_residues": 33
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "E",
|
| 36 |
+
"total": 0.7180381417274475,
|
| 37 |
+
"cdr": 1.0790009498596191,
|
| 38 |
+
"framework": 0.6169812083244324,
|
| 39 |
+
"cdr_fw_aligned": 1.2345072031021118,
|
| 40 |
+
"cdr1": 1.1754798889160156,
|
| 41 |
+
"cdr2": 0.2084965705871582,
|
| 42 |
+
"cdr3": 0.8467857837677002,
|
| 43 |
+
"cdr1_fw_aligned": 1.3075166940689087,
|
| 44 |
+
"cdr2_fw_aligned": 0.48411810398101807,
|
| 45 |
+
"cdr3_fw_aligned": 1.516656756401062,
|
| 46 |
+
"num_residues": 210,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 948,
|
| 51 |
+
"num_gt_atoms": 920,
|
| 52 |
+
"num_aligned_atoms": 920
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 844,
|
| 56 |
+
"num_gt_atoms": 840,
|
| 57 |
+
"num_aligned_atoms": 840
|
| 58 |
+
}
|
| 59 |
+
}
|
8tvj_H_L_E_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tvj_H_L_E_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 6.941897630691528,
|
| 7 |
+
"cdr": 0.8517551422119141,
|
| 8 |
+
"framework": 6.549566268920898,
|
| 9 |
+
"cdr_fw_aligned": 10.403972625732422
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1760,
|
| 12 |
+
"num_gt_atoms": 1744,
|
| 13 |
+
"num_aligned_atoms": 1744,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.990909090909091,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 7.181549072265625,
|
| 22 |
+
"cdr": 1.1874386072158813,
|
| 23 |
+
"framework": 7.038228511810303,
|
| 24 |
+
"cdr_fw_aligned": 9.010174751281738,
|
| 25 |
+
"cdr1": 0.4372006058692932,
|
| 26 |
+
"cdr2": 0.28379884362220764,
|
| 27 |
+
"cdr3": 1.233467936515808,
|
| 28 |
+
"cdr1_fw_aligned": 12.562454223632812,
|
| 29 |
+
"cdr2_fw_aligned": 11.229507446289062,
|
| 30 |
+
"cdr3_fw_aligned": 5.811675071716309,
|
| 31 |
+
"num_residues": 223,
|
| 32 |
+
"num_cdr_residues": 30
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 6.702246189117432,
|
| 37 |
+
"cdr": 0.5160716772079468,
|
| 38 |
+
"framework": 6.060904026031494,
|
| 39 |
+
"cdr_fw_aligned": 11.797770500183105,
|
| 40 |
+
"cdr1": 0.5108330249786377,
|
| 41 |
+
"cdr2": 0.3301294445991516,
|
| 42 |
+
"cdr3": 0.4283280074596405,
|
| 43 |
+
"cdr1_fw_aligned": 13.110342025756836,
|
| 44 |
+
"cdr2_fw_aligned": 9.059545516967773,
|
| 45 |
+
"cdr3_fw_aligned": 11.985356330871582,
|
| 46 |
+
"num_residues": 213,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 908,
|
| 51 |
+
"num_gt_atoms": 892,
|
| 52 |
+
"num_aligned_atoms": 892
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 852,
|
| 56 |
+
"num_gt_atoms": 852,
|
| 57 |
+
"num_aligned_atoms": 852
|
| 58 |
+
}
|
| 59 |
+
}
|
8txp_H_L_AB_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8txp_H_L_AB_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 3.2223048210144043,
|
| 7 |
+
"cdr": 1.7814067602157593,
|
| 8 |
+
"framework": 2.9749679565429688,
|
| 9 |
+
"cdr_fw_aligned": 5.128274202346802
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1756,
|
| 12 |
+
"num_gt_atoms": 1748,
|
| 13 |
+
"num_aligned_atoms": 1748,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9954441913439636,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 3.5001447200775146,
|
| 22 |
+
"cdr": 3.138603925704956,
|
| 23 |
+
"framework": 3.2269532680511475,
|
| 24 |
+
"cdr_fw_aligned": 5.3765974044799805,
|
| 25 |
+
"cdr1": 2.3007073402404785,
|
| 26 |
+
"cdr2": 0.36707499623298645,
|
| 27 |
+
"cdr3": 2.7849864959716797,
|
| 28 |
+
"cdr1_fw_aligned": 6.526247978210449,
|
| 29 |
+
"cdr2_fw_aligned": 7.193798065185547,
|
| 30 |
+
"cdr3_fw_aligned": 3.5036895275115967,
|
| 31 |
+
"num_residues": 224,
|
| 32 |
+
"num_cdr_residues": 27
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 2.944464921951294,
|
| 37 |
+
"cdr": 0.4242095947265625,
|
| 38 |
+
"framework": 2.72298264503479,
|
| 39 |
+
"cdr_fw_aligned": 4.879951000213623,
|
| 40 |
+
"cdr1": 0.2649795711040497,
|
| 41 |
+
"cdr2": 0.3234640955924988,
|
| 42 |
+
"cdr3": 0.38424152135849,
|
| 43 |
+
"cdr1_fw_aligned": 5.266824722290039,
|
| 44 |
+
"cdr2_fw_aligned": 4.626300811767578,
|
| 45 |
+
"cdr3_fw_aligned": 4.570701599121094,
|
| 46 |
+
"num_residues": 213,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 900,
|
| 51 |
+
"num_gt_atoms": 896,
|
| 52 |
+
"num_aligned_atoms": 896
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 856,
|
| 56 |
+
"num_gt_atoms": 852,
|
| 57 |
+
"num_aligned_atoms": 852
|
| 58 |
+
}
|
| 59 |
+
}
|
8tzu_D__B_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8tzu_D__B_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.8508528470993042,
|
| 7 |
+
"cdr": 3.1663737297058105,
|
| 8 |
+
"framework": 0.6106488108634949,
|
| 9 |
+
"cdr_fw_aligned": 4.024348258972168
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 512,
|
| 12 |
+
"num_gt_atoms": 508,
|
| 13 |
+
"num_aligned_atoms": 508,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9921875,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "D",
|
| 21 |
+
"total": 1.8508528470993042,
|
| 22 |
+
"cdr": 3.1663737297058105,
|
| 23 |
+
"framework": 0.6106488108634949,
|
| 24 |
+
"cdr_fw_aligned": 4.024348258972168,
|
| 25 |
+
"cdr1": 1.4694385528564453,
|
| 26 |
+
"cdr2": 0.4519943594932556,
|
| 27 |
+
"cdr3": 3.6160364151000977,
|
| 28 |
+
"cdr1_fw_aligned": 1.7971395254135132,
|
| 29 |
+
"cdr2_fw_aligned": 0.9472238421440125,
|
| 30 |
+
"cdr3_fw_aligned": 5.189757823944092,
|
| 31 |
+
"num_residues": 127,
|
| 32 |
+
"num_cdr_residues": 30
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 512,
|
| 36 |
+
"num_gt_atoms": 508,
|
| 37 |
+
"num_aligned_atoms": 508
|
| 38 |
+
}
|
| 39 |
+
}
|
8u1c_H_L_A_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8u1c_H_L_A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.2931025624275208,
|
| 7 |
+
"cdr": 1.6780470609664917,
|
| 8 |
+
"framework": 1.0897881984710693,
|
| 9 |
+
"cdr_fw_aligned": 1.8625134825706482
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1749,
|
| 12 |
+
"num_gt_atoms": 1810,
|
| 13 |
+
"num_aligned_atoms": 1661,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.949685534591195,
|
| 16 |
+
"gt_coverage": 0.9176795580110497,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.243131399154663,
|
| 22 |
+
"cdr": 1.8672065734863281,
|
| 23 |
+
"framework": 0.8834309577941895,
|
| 24 |
+
"cdr_fw_aligned": 2.198295831680298,
|
| 25 |
+
"cdr1": 0.38735392689704895,
|
| 26 |
+
"cdr2": 0.7037340998649597,
|
| 27 |
+
"cdr3": 1.9144307374954224,
|
| 28 |
+
"cdr1_fw_aligned": 0.6721168756484985,
|
| 29 |
+
"cdr2_fw_aligned": 0.811911940574646,
|
| 30 |
+
"cdr3_fw_aligned": 2.7317421436309814,
|
| 31 |
+
"num_residues": 126,
|
| 32 |
+
"num_cdr_residues": 32
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 1.3430737257003784,
|
| 37 |
+
"cdr": 1.4888875484466553,
|
| 38 |
+
"framework": 1.2961454391479492,
|
| 39 |
+
"cdr_fw_aligned": 1.5267311334609985,
|
| 40 |
+
"cdr1": 1.341098666191101,
|
| 41 |
+
"cdr2": 0.7559264898300171,
|
| 42 |
+
"cdr3": 1.4638323783874512,
|
| 43 |
+
"cdr1_fw_aligned": 1.4831141233444214,
|
| 44 |
+
"cdr2_fw_aligned": 1.079591155052185,
|
| 45 |
+
"cdr3_fw_aligned": 1.8385673761367798,
|
| 46 |
+
"num_residues": 107,
|
| 47 |
+
"num_cdr_residues": 28
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 947,
|
| 51 |
+
"num_gt_atoms": 1008,
|
| 52 |
+
"num_aligned_atoms": 907
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 802,
|
| 56 |
+
"num_gt_atoms": 802,
|
| 57 |
+
"num_aligned_atoms": 754
|
| 58 |
+
}
|
| 59 |
+
}
|
8u1q_H_L_A_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8u1q_H_L_A_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.0240827798843384,
|
| 7 |
+
"cdr": 1.395755112171173,
|
| 8 |
+
"framework": 0.8479553759098053,
|
| 9 |
+
"cdr_fw_aligned": 1.5188225507736206
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 908,
|
| 12 |
+
"num_gt_atoms": 900,
|
| 13 |
+
"num_aligned_atoms": 900,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9911894273127754,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.1327875852584839,
|
| 22 |
+
"cdr": 1.5565156936645508,
|
| 23 |
+
"framework": 0.9338796138763428,
|
| 24 |
+
"cdr_fw_aligned": 1.756265640258789,
|
| 25 |
+
"cdr1": 1.8478381633758545,
|
| 26 |
+
"cdr2": 0.9116683006286621,
|
| 27 |
+
"cdr3": 0.9476444721221924,
|
| 28 |
+
"cdr1_fw_aligned": 2.2599802017211914,
|
| 29 |
+
"cdr2_fw_aligned": 1.2753864526748657,
|
| 30 |
+
"cdr3_fw_aligned": 1.4116040468215942,
|
| 31 |
+
"num_residues": 118,
|
| 32 |
+
"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 0.9153779745101929,
|
| 37 |
+
"cdr": 1.2349945306777954,
|
| 38 |
+
"framework": 0.7620311379432678,
|
| 39 |
+
"cdr_fw_aligned": 1.2813794612884521,
|
| 40 |
+
"cdr1": 1.108845829963684,
|
| 41 |
+
"cdr2": 0.4443938434123993,
|
| 42 |
+
"cdr3": 1.3300273418426514,
|
| 43 |
+
"cdr1_fw_aligned": 1.2762134075164795,
|
| 44 |
+
"cdr2_fw_aligned": 0.6651158332824707,
|
| 45 |
+
"cdr3_fw_aligned": 1.6096950769424438,
|
| 46 |
+
"num_residues": 107,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 480,
|
| 51 |
+
"num_gt_atoms": 472,
|
| 52 |
+
"num_aligned_atoms": 472
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 428,
|
| 56 |
+
"num_gt_atoms": 428,
|
| 57 |
+
"num_aligned_atoms": 428
|
| 58 |
+
}
|
| 59 |
+
}
|
8udz_C_D_B_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8udz_C_D_B_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 5.063747406005859,
|
| 7 |
+
"cdr": 1.605328381061554,
|
| 8 |
+
"framework": 4.821588754653931,
|
| 9 |
+
"cdr_fw_aligned": 7.4419074058532715
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 3341,
|
| 12 |
+
"num_gt_atoms": 3275,
|
| 13 |
+
"num_aligned_atoms": 3138,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.93923974857827,
|
| 16 |
+
"gt_coverage": 0.9581679389312977,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
+
"total": 4.845450401306152,
|
| 22 |
+
"cdr": 2.566054105758667,
|
| 23 |
+
"framework": 4.764438152313232,
|
| 24 |
+
"cdr_fw_aligned": 6.125341415405273,
|
| 25 |
+
"cdr1": 0.930377721786499,
|
| 26 |
+
"cdr2": 0.40772175788879395,
|
| 27 |
+
"cdr3": 2.6544296741485596,
|
| 28 |
+
"cdr1_fw_aligned": 7.451213359832764,
|
| 29 |
+
"cdr2_fw_aligned": 7.131907939910889,
|
| 30 |
+
"cdr3_fw_aligned": 4.251215934753418,
|
| 31 |
+
"num_residues": 220,
|
| 32 |
+
"num_cdr_residues": 25
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "D",
|
| 36 |
+
"total": 5.282044410705566,
|
| 37 |
+
"cdr": 0.6446026563644409,
|
| 38 |
+
"framework": 4.878739356994629,
|
| 39 |
+
"cdr_fw_aligned": 8.75847339630127,
|
| 40 |
+
"cdr1": 0.6169178485870361,
|
| 41 |
+
"cdr2": 0.43261274695396423,
|
| 42 |
+
"cdr3": 0.46850115060806274,
|
| 43 |
+
"cdr1_fw_aligned": 9.771738052368164,
|
| 44 |
+
"cdr2_fw_aligned": 6.728481769561768,
|
| 45 |
+
"cdr3_fw_aligned": 8.71706485748291,
|
| 46 |
+
"num_residues": 214,
|
| 47 |
+
"num_cdr_residues": 31
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 1735,
|
| 51 |
+
"num_gt_atoms": 1654,
|
| 52 |
+
"num_aligned_atoms": 1593
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 1606,
|
| 56 |
+
"num_gt_atoms": 1621,
|
| 57 |
+
"num_aligned_atoms": 1545
|
| 58 |
+
}
|
| 59 |
+
}
|
8uoa_B__A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,39 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8uoa_B__A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.9286936521530151,
|
| 7 |
+
"cdr": 2.219820976257324,
|
| 8 |
+
"framework": 1.7326161861419678,
|
| 9 |
+
"cdr_fw_aligned": 2.689635992050171
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1060,
|
| 12 |
+
"num_gt_atoms": 587,
|
| 13 |
+
"num_aligned_atoms": 586,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.5528301886792453,
|
| 16 |
+
"gt_coverage": 0.9982964224872232,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
+
"total": 1.9286936521530151,
|
| 22 |
+
"cdr": 2.219820976257324,
|
| 23 |
+
"framework": 1.7326161861419678,
|
| 24 |
+
"cdr_fw_aligned": 2.689635992050171,
|
| 25 |
+
"cdr1": 2.7364609241485596,
|
| 26 |
+
"cdr2": 1.612552523612976,
|
| 27 |
+
"cdr3": 1.4132403135299683,
|
| 28 |
+
"cdr1_fw_aligned": 3.5995864868164062,
|
| 29 |
+
"cdr2_fw_aligned": 2.892596483230591,
|
| 30 |
+
"cdr3_fw_aligned": 1.768397569656372,
|
| 31 |
+
"num_residues": 119,
|
| 32 |
+
"num_cdr_residues": 23
|
| 33 |
+
},
|
| 34 |
+
"heavy_chain_atom_counts": {
|
| 35 |
+
"num_pred_atoms": 1060,
|
| 36 |
+
"num_gt_atoms": 587,
|
| 37 |
+
"num_aligned_atoms": 586
|
| 38 |
+
}
|
| 39 |
+
}
|
8v7o_H_L_A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8v7o_H_L_A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.812191665172577,
|
| 7 |
+
"cdr": 2.2892501950263977,
|
| 8 |
+
"framework": 1.6289750933647156,
|
| 9 |
+
"cdr_fw_aligned": 2.483637809753418
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1746,
|
| 12 |
+
"num_gt_atoms": 1713,
|
| 13 |
+
"num_aligned_atoms": 1594,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9129438717067583,
|
| 16 |
+
"gt_coverage": 0.9305312317571512,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 2.173936128616333,
|
| 22 |
+
"cdr": 2.766598701477051,
|
| 23 |
+
"framework": 1.9693971872329712,
|
| 24 |
+
"cdr_fw_aligned": 2.975287914276123,
|
| 25 |
+
"cdr1": 1.3096452951431274,
|
| 26 |
+
"cdr2": 0.394104540348053,
|
| 27 |
+
"cdr3": 2.966961622238159,
|
| 28 |
+
"cdr1_fw_aligned": 1.8318537473678589,
|
| 29 |
+
"cdr2_fw_aligned": 1.6249572038650513,
|
| 30 |
+
"cdr3_fw_aligned": 3.5145485401153564,
|
| 31 |
+
"num_residues": 123,
|
| 32 |
+
"num_cdr_residues": 29
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 1.4504472017288208,
|
| 37 |
+
"cdr": 1.8119016885757446,
|
| 38 |
+
"framework": 1.28855299949646,
|
| 39 |
+
"cdr_fw_aligned": 1.991987705230713,
|
| 40 |
+
"cdr1": 0.7552635669708252,
|
| 41 |
+
"cdr2": 0.8569536209106445,
|
| 42 |
+
"cdr3": 1.9130849838256836,
|
| 43 |
+
"cdr1_fw_aligned": 1.2564752101898193,
|
| 44 |
+
"cdr2_fw_aligned": 0.996237576007843,
|
| 45 |
+
"cdr3_fw_aligned": 2.810717821121216,
|
| 46 |
+
"num_residues": 109,
|
| 47 |
+
"num_cdr_residues": 29
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 944,
|
| 51 |
+
"num_gt_atoms": 928,
|
| 52 |
+
"num_aligned_atoms": 860
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 802,
|
| 56 |
+
"num_gt_atoms": 785,
|
| 57 |
+
"num_aligned_atoms": 734
|
| 58 |
+
}
|
| 59 |
+
}
|
8vdl_H_L_C_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8vdl_H_L_C_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 9.003445148468018,
|
| 7 |
+
"cdr": 1.3806116580963135,
|
| 8 |
+
"framework": 8.623117446899414,
|
| 9 |
+
"cdr_fw_aligned": 13.19667673110962
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1812,
|
| 12 |
+
"num_gt_atoms": 1732,
|
| 13 |
+
"num_aligned_atoms": 1732,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9558498896247241,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 8.918471336364746,
|
| 22 |
+
"cdr": 1.7581069469451904,
|
| 23 |
+
"framework": 8.663553237915039,
|
| 24 |
+
"cdr_fw_aligned": 12.377577781677246,
|
| 25 |
+
"cdr1": 0.300881564617157,
|
| 26 |
+
"cdr2": 0.23700867593288422,
|
| 27 |
+
"cdr3": 2.1497843265533447,
|
| 28 |
+
"cdr1_fw_aligned": 15.426958084106445,
|
| 29 |
+
"cdr2_fw_aligned": 13.59727954864502,
|
| 30 |
+
"cdr3_fw_aligned": 10.678241729736328,
|
| 31 |
+
"num_residues": 225,
|
| 32 |
+
"num_cdr_residues": 33
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 9.088418960571289,
|
| 37 |
+
"cdr": 1.0031163692474365,
|
| 38 |
+
"framework": 8.582681655883789,
|
| 39 |
+
"cdr_fw_aligned": 14.015775680541992,
|
| 40 |
+
"cdr1": 1.3952566385269165,
|
| 41 |
+
"cdr2": 0.25295767188072205,
|
| 42 |
+
"cdr3": 0.39027076959609985,
|
| 43 |
+
"cdr1_fw_aligned": 15.331192016601562,
|
| 44 |
+
"cdr2_fw_aligned": 11.849409103393555,
|
| 45 |
+
"cdr3_fw_aligned": 14.160326957702637,
|
| 46 |
+
"num_residues": 208,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 964,
|
| 51 |
+
"num_gt_atoms": 900,
|
| 52 |
+
"num_aligned_atoms": 900
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 848,
|
| 56 |
+
"num_gt_atoms": 832,
|
| 57 |
+
"num_aligned_atoms": 832
|
| 58 |
+
}
|
| 59 |
+
}
|
8vqd_C_B_A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8vqd_C_B_A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.5509895086288452,
|
| 7 |
+
"cdr": 1.9482442736625671,
|
| 8 |
+
"framework": 0.9668242037296295,
|
| 9 |
+
"cdr_fw_aligned": 2.659550189971924
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1888,
|
| 12 |
+
"num_gt_atoms": 936,
|
| 13 |
+
"num_aligned_atoms": 936,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.4957627118644068,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
+
"total": 1.7733471393585205,
|
| 22 |
+
"cdr": 2.6105051040649414,
|
| 23 |
+
"framework": 0.630393922328949,
|
| 24 |
+
"cdr_fw_aligned": 3.8448753356933594,
|
| 25 |
+
"cdr1": 3.014521598815918,
|
| 26 |
+
"cdr2": 0.4302450716495514,
|
| 27 |
+
"cdr3": 1.2779487371444702,
|
| 28 |
+
"cdr1_fw_aligned": 4.148177623748779,
|
| 29 |
+
"cdr2_fw_aligned": 1.2495614290237427,
|
| 30 |
+
"cdr3_fw_aligned": 4.230955123901367,
|
| 31 |
+
"num_residues": 127,
|
| 32 |
+
"num_cdr_residues": 33
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "B",
|
| 36 |
+
"total": 1.32863187789917,
|
| 37 |
+
"cdr": 1.2859834432601929,
|
| 38 |
+
"framework": 1.30325448513031,
|
| 39 |
+
"cdr_fw_aligned": 1.4742250442504883,
|
| 40 |
+
"cdr1": 1.3930021524429321,
|
| 41 |
+
"cdr2": 0.22959314286708832,
|
| 42 |
+
"cdr3": 0.55791175365448,
|
| 43 |
+
"cdr1_fw_aligned": 2.1086530685424805,
|
| 44 |
+
"cdr2_fw_aligned": 0.3044627904891968,
|
| 45 |
+
"cdr3_fw_aligned": 1.2975648641586304,
|
| 46 |
+
"num_residues": 107,
|
| 47 |
+
"num_cdr_residues": 33
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 1028,
|
| 51 |
+
"num_gt_atoms": 508,
|
| 52 |
+
"num_aligned_atoms": 508
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 860,
|
| 56 |
+
"num_gt_atoms": 428,
|
| 57 |
+
"num_aligned_atoms": 428
|
| 58 |
+
}
|
| 59 |
+
}
|
8vqd_C_B_A_sample_3_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8vqd_C_B_A_sample_3",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.8261202573776245,
|
| 7 |
+
"cdr": 2.361196279525757,
|
| 8 |
+
"framework": 1.431982547044754,
|
| 9 |
+
"cdr_fw_aligned": 2.8078566789627075
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 3534,
|
| 12 |
+
"num_gt_atoms": 1785,
|
| 13 |
+
"num_aligned_atoms": 1703,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.4818902093944539,
|
| 16 |
+
"gt_coverage": 0.95406162464986,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "C",
|
| 21 |
+
"total": 1.6895837783813477,
|
| 22 |
+
"cdr": 2.8913369178771973,
|
| 23 |
+
"framework": 0.9351479411125183,
|
| 24 |
+
"cdr_fw_aligned": 3.4473679065704346,
|
| 25 |
+
"cdr1": 3.3751676082611084,
|
| 26 |
+
"cdr2": 0.6918345093727112,
|
| 27 |
+
"cdr3": 2.3037822246551514,
|
| 28 |
+
"cdr1_fw_aligned": 4.614587783813477,
|
| 29 |
+
"cdr2_fw_aligned": 1.0525751113891602,
|
| 30 |
+
"cdr3_fw_aligned": 3.451519250869751,
|
| 31 |
+
"num_residues": 127,
|
| 32 |
+
"num_cdr_residues": 33
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "B",
|
| 36 |
+
"total": 1.9626567363739014,
|
| 37 |
+
"cdr": 1.8310556411743164,
|
| 38 |
+
"framework": 1.9288171529769897,
|
| 39 |
+
"cdr_fw_aligned": 2.1683454513549805,
|
| 40 |
+
"cdr1": 2.259648084640503,
|
| 41 |
+
"cdr2": 0.8074674010276794,
|
| 42 |
+
"cdr3": 1.2935798168182373,
|
| 43 |
+
"cdr1_fw_aligned": 3.1172778606414795,
|
| 44 |
+
"cdr2_fw_aligned": 0.9280067086219788,
|
| 45 |
+
"cdr3_fw_aligned": 1.7358893156051636,
|
| 46 |
+
"num_residues": 107,
|
| 47 |
+
"num_cdr_residues": 33
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 1895,
|
| 51 |
+
"num_gt_atoms": 977,
|
| 52 |
+
"num_aligned_atoms": 895
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 1639,
|
| 56 |
+
"num_gt_atoms": 808,
|
| 57 |
+
"num_aligned_atoms": 808
|
| 58 |
+
}
|
| 59 |
+
}
|
8vuh_H_L_A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8vuh_H_L_A_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.6969667077064514,
|
| 7 |
+
"cdr": 1.4379326701164246,
|
| 8 |
+
"framework": 1.7413681149482727,
|
| 9 |
+
"cdr_fw_aligned": 1.5002727508544922
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1673,
|
| 12 |
+
"num_gt_atoms": 1659,
|
| 13 |
+
"num_aligned_atoms": 1560,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9324566646742379,
|
| 16 |
+
"gt_coverage": 0.9403254972875226,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.8743131160736084,
|
| 22 |
+
"cdr": 1.6734963655471802,
|
| 23 |
+
"framework": 1.9026070833206177,
|
| 24 |
+
"cdr_fw_aligned": 1.7225735187530518,
|
| 25 |
+
"cdr1": 1.1453298330307007,
|
| 26 |
+
"cdr2": 0.8865419626235962,
|
| 27 |
+
"cdr3": 1.5532034635543823,
|
| 28 |
+
"cdr1_fw_aligned": 1.6328595876693726,
|
| 29 |
+
"cdr2_fw_aligned": 1.2537041902542114,
|
| 30 |
+
"cdr3_fw_aligned": 1.9621647596359253,
|
| 31 |
+
"num_residues": 117,
|
| 32 |
+
"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 1.5196202993392944,
|
| 37 |
+
"cdr": 1.202368974685669,
|
| 38 |
+
"framework": 1.5801291465759277,
|
| 39 |
+
"cdr_fw_aligned": 1.2779719829559326,
|
| 40 |
+
"cdr1": 1.001677393913269,
|
| 41 |
+
"cdr2": 0.9990817308425903,
|
| 42 |
+
"cdr3": 1.1579698324203491,
|
| 43 |
+
"cdr1_fw_aligned": 1.1295630931854248,
|
| 44 |
+
"cdr2_fw_aligned": 1.305712103843689,
|
| 45 |
+
"cdr3_fw_aligned": 1.4431391954421997,
|
| 46 |
+
"num_residues": 109,
|
| 47 |
+
"num_cdr_residues": 29
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 883,
|
| 51 |
+
"num_gt_atoms": 867,
|
| 52 |
+
"num_aligned_atoms": 825
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 790,
|
| 56 |
+
"num_gt_atoms": 792,
|
| 57 |
+
"num_aligned_atoms": 735
|
| 58 |
+
}
|
| 59 |
+
}
|
8vuj_H_L_A_sample_1_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8vuj_H_L_A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.56686669588089,
|
| 7 |
+
"cdr": 1.379417896270752,
|
| 8 |
+
"framework": 1.5754300951957703,
|
| 9 |
+
"cdr_fw_aligned": 1.5585896968841553
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1673,
|
| 12 |
+
"num_gt_atoms": 1659,
|
| 13 |
+
"num_aligned_atoms": 1560,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9324566646742379,
|
| 16 |
+
"gt_coverage": 0.9403254972875226,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.6469563245773315,
|
| 22 |
+
"cdr": 1.4819403886795044,
|
| 23 |
+
"framework": 1.6551851034164429,
|
| 24 |
+
"cdr_fw_aligned": 1.6293599605560303,
|
| 25 |
+
"cdr1": 1.0627857446670532,
|
| 26 |
+
"cdr2": 0.9179303050041199,
|
| 27 |
+
"cdr3": 1.3750319480895996,
|
| 28 |
+
"cdr1_fw_aligned": 1.6873773336410522,
|
| 29 |
+
"cdr2_fw_aligned": 1.2040233612060547,
|
| 30 |
+
"cdr3_fw_aligned": 1.756097435951233,
|
| 31 |
+
"num_residues": 117,
|
| 32 |
+
"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 1.4867770671844482,
|
| 37 |
+
"cdr": 1.2768954038619995,
|
| 38 |
+
"framework": 1.4956750869750977,
|
| 39 |
+
"cdr_fw_aligned": 1.4878194332122803,
|
| 40 |
+
"cdr1": 0.8549164533615112,
|
| 41 |
+
"cdr2": 1.0144975185394287,
|
| 42 |
+
"cdr3": 1.0168917179107666,
|
| 43 |
+
"cdr1_fw_aligned": 1.0334402322769165,
|
| 44 |
+
"cdr2_fw_aligned": 1.9457777738571167,
|
| 45 |
+
"cdr3_fw_aligned": 1.6098462343215942,
|
| 46 |
+
"num_residues": 109,
|
| 47 |
+
"num_cdr_residues": 29
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 883,
|
| 51 |
+
"num_gt_atoms": 867,
|
| 52 |
+
"num_aligned_atoms": 825
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 790,
|
| 56 |
+
"num_gt_atoms": 792,
|
| 57 |
+
"num_aligned_atoms": 735
|
| 58 |
+
}
|
| 59 |
+
}
|
8vuj_H_L_A_sample_2_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8vuj_H_L_A_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.5647971034049988,
|
| 7 |
+
"cdr": 1.5371357202529907,
|
| 8 |
+
"framework": 1.5365199446678162,
|
| 9 |
+
"cdr_fw_aligned": 1.7463540434837341
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1673,
|
| 12 |
+
"num_gt_atoms": 1659,
|
| 13 |
+
"num_aligned_atoms": 1560,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9324566646742379,
|
| 16 |
+
"gt_coverage": 0.9403254972875226,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.7082048654556274,
|
| 22 |
+
"cdr": 1.746275782585144,
|
| 23 |
+
"framework": 1.661826491355896,
|
| 24 |
+
"cdr_fw_aligned": 2.0028998851776123,
|
| 25 |
+
"cdr1": 0.7728374600410461,
|
| 26 |
+
"cdr2": 0.9431939125061035,
|
| 27 |
+
"cdr3": 2.0600204467773438,
|
| 28 |
+
"cdr1_fw_aligned": 1.1910799741744995,
|
| 29 |
+
"cdr2_fw_aligned": 1.1992626190185547,
|
| 30 |
+
"cdr3_fw_aligned": 2.6723055839538574,
|
| 31 |
+
"num_residues": 117,
|
| 32 |
+
"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 1.4213893413543701,
|
| 37 |
+
"cdr": 1.3279956579208374,
|
| 38 |
+
"framework": 1.4112133979797363,
|
| 39 |
+
"cdr_fw_aligned": 1.489808201789856,
|
| 40 |
+
"cdr1": 0.8503966927528381,
|
| 41 |
+
"cdr2": 1.0597871541976929,
|
| 42 |
+
"cdr3": 0.963611364364624,
|
| 43 |
+
"cdr1_fw_aligned": 0.9989475011825562,
|
| 44 |
+
"cdr2_fw_aligned": 1.948036789894104,
|
| 45 |
+
"cdr3_fw_aligned": 1.644073724746704,
|
| 46 |
+
"num_residues": 109,
|
| 47 |
+
"num_cdr_residues": 29
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 883,
|
| 51 |
+
"num_gt_atoms": 867,
|
| 52 |
+
"num_aligned_atoms": 825
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 790,
|
| 56 |
+
"num_gt_atoms": 792,
|
| 57 |
+
"num_aligned_atoms": 735
|
| 58 |
+
}
|
| 59 |
+
}
|
8vul_H_L_A_sample_4_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8vul_H_L_A_sample_4",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.4143574833869934,
|
| 7 |
+
"cdr": 1.6222819685935974,
|
| 8 |
+
"framework": 1.2716280221939087,
|
| 9 |
+
"cdr_fw_aligned": 2.0152527689933777
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1685,
|
| 12 |
+
"num_gt_atoms": 1693,
|
| 13 |
+
"num_aligned_atoms": 1585,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9406528189910979,
|
| 16 |
+
"gt_coverage": 0.9362079149438866,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.4698516130447388,
|
| 22 |
+
"cdr": 1.824297547340393,
|
| 23 |
+
"framework": 1.223500370979309,
|
| 24 |
+
"cdr_fw_aligned": 2.5218570232391357,
|
| 25 |
+
"cdr1": 2.194920539855957,
|
| 26 |
+
"cdr2": 0.926403820514679,
|
| 27 |
+
"cdr3": 1.6357465982437134,
|
| 28 |
+
"cdr1_fw_aligned": 3.0095345973968506,
|
| 29 |
+
"cdr2_fw_aligned": 1.1070431470870972,
|
| 30 |
+
"cdr3_fw_aligned": 2.606998920440674,
|
| 31 |
+
"num_residues": 119,
|
| 32 |
+
"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 1.358863353729248,
|
| 37 |
+
"cdr": 1.4202663898468018,
|
| 38 |
+
"framework": 1.3197556734085083,
|
| 39 |
+
"cdr_fw_aligned": 1.5086485147476196,
|
| 40 |
+
"cdr1": 0.9209475517272949,
|
| 41 |
+
"cdr2": 0.8381599187850952,
|
| 42 |
+
"cdr3": 1.4533747434616089,
|
| 43 |
+
"cdr1_fw_aligned": 1.143539547920227,
|
| 44 |
+
"cdr2_fw_aligned": 1.438772201538086,
|
| 45 |
+
"cdr3_fw_aligned": 1.955443263053894,
|
| 46 |
+
"num_residues": 109,
|
| 47 |
+
"num_cdr_residues": 29
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 895,
|
| 51 |
+
"num_gt_atoms": 894,
|
| 52 |
+
"num_aligned_atoms": 850
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 790,
|
| 56 |
+
"num_gt_atoms": 799,
|
| 57 |
+
"num_aligned_atoms": 735
|
| 58 |
+
}
|
| 59 |
+
}
|
8vuq_G_I_A_sample_2_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8vuq_G_I_A_sample_2",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.7286900877952576,
|
| 7 |
+
"cdr": 1.2246874570846558,
|
| 8 |
+
"framework": 1.6909801959991455,
|
| 9 |
+
"cdr_fw_aligned": 2.113862454891205
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1716,
|
| 12 |
+
"num_gt_atoms": 1716,
|
| 13 |
+
"num_aligned_atoms": 1716,
|
| 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": 2.1573851108551025,
|
| 22 |
+
"cdr": 1.5586857795715332,
|
| 23 |
+
"framework": 2.101548433303833,
|
| 24 |
+
"cdr_fw_aligned": 2.639791250228882,
|
| 25 |
+
"cdr1": 0.7994981408119202,
|
| 26 |
+
"cdr2": 1.319014310836792,
|
| 27 |
+
"cdr3": 1.668971300125122,
|
| 28 |
+
"cdr1_fw_aligned": 2.3074350357055664,
|
| 29 |
+
"cdr2_fw_aligned": 2.7278332710266113,
|
| 30 |
+
"cdr3_fw_aligned": 2.763301372528076,
|
| 31 |
+
"num_residues": 220,
|
| 32 |
+
"num_cdr_residues": 26
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "I",
|
| 36 |
+
"total": 1.2999950647354126,
|
| 37 |
+
"cdr": 0.8906891345977783,
|
| 38 |
+
"framework": 1.280411958694458,
|
| 39 |
+
"cdr_fw_aligned": 1.5879336595535278,
|
| 40 |
+
"cdr1": 0.36837300658226013,
|
| 41 |
+
"cdr2": 0.5704495310783386,
|
| 42 |
+
"cdr3": 1.1277306079864502,
|
| 43 |
+
"cdr1_fw_aligned": 1.6575522422790527,
|
| 44 |
+
"cdr2_fw_aligned": 1.2577650547027588,
|
| 45 |
+
"cdr3_fw_aligned": 1.8026372194290161,
|
| 46 |
+
"num_residues": 209,
|
| 47 |
+
"num_cdr_residues": 25
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 880,
|
| 51 |
+
"num_gt_atoms": 880,
|
| 52 |
+
"num_aligned_atoms": 880
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 836,
|
| 56 |
+
"num_gt_atoms": 836,
|
| 57 |
+
"num_aligned_atoms": 836
|
| 58 |
+
}
|
| 59 |
+
}
|
8vvh_H_L_A_sample_0_rmsd.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8vvh_H_L_A_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.3868318796157837,
|
| 7 |
+
"cdr": 1.3914938569068909,
|
| 8 |
+
"framework": 1.3506435751914978,
|
| 9 |
+
"cdr_fw_aligned": 1.5580094456672668
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1652,
|
| 12 |
+
"num_gt_atoms": 1559,
|
| 13 |
+
"num_aligned_atoms": 1457,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.8819612590799032,
|
| 16 |
+
"gt_coverage": 0.9345734445157152,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "H",
|
| 21 |
+
"total": 1.4520704746246338,
|
| 22 |
+
"cdr": 1.4361071586608887,
|
| 23 |
+
"framework": 1.4172629117965698,
|
| 24 |
+
"cdr_fw_aligned": 1.654047966003418,
|
| 25 |
+
"cdr1": 0.9225165247917175,
|
| 26 |
+
"cdr2": 0.9203392863273621,
|
| 27 |
+
"cdr3": 1.4835361242294312,
|
| 28 |
+
"cdr1_fw_aligned": 1.123984694480896,
|
| 29 |
+
"cdr2_fw_aligned": 1.3183326721191406,
|
| 30 |
+
"cdr3_fw_aligned": 2.0656046867370605,
|
| 31 |
+
"num_residues": 115,
|
| 32 |
+
"num_cdr_residues": 24
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "L",
|
| 36 |
+
"total": 1.3215932846069336,
|
| 37 |
+
"cdr": 1.346880555152893,
|
| 38 |
+
"framework": 1.2840242385864258,
|
| 39 |
+
"cdr_fw_aligned": 1.4619709253311157,
|
| 40 |
+
"cdr1": 1.0304731130599976,
|
| 41 |
+
"cdr2": 0.7572156190872192,
|
| 42 |
+
"cdr3": 1.256516456604004,
|
| 43 |
+
"cdr1_fw_aligned": 1.235163688659668,
|
| 44 |
+
"cdr2_fw_aligned": 1.4240567684173584,
|
| 45 |
+
"cdr3_fw_aligned": 1.7592999935150146,
|
| 46 |
+
"num_residues": 108,
|
| 47 |
+
"num_cdr_residues": 29
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 869,
|
| 51 |
+
"num_gt_atoms": 833,
|
| 52 |
+
"num_aligned_atoms": 789
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 783,
|
| 56 |
+
"num_gt_atoms": 726,
|
| 57 |
+
"num_aligned_atoms": 668
|
| 58 |
+
}
|
| 59 |
+
}
|
8vvk_D_C_B_sample_0_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8vvk_D_C_B_sample_0",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 1.3143003582954407,
|
| 7 |
+
"cdr": 0.9868028461933136,
|
| 8 |
+
"framework": 1.2205106019973755,
|
| 9 |
+
"cdr_fw_aligned": 2.0420740246772766
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1748,
|
| 12 |
+
"num_gt_atoms": 1732,
|
| 13 |
+
"num_aligned_atoms": 1732,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.9908466819221968,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "D",
|
| 21 |
+
"total": 1.4070148468017578,
|
| 22 |
+
"cdr": 1.500466227531433,
|
| 23 |
+
"framework": 1.2621726989746094,
|
| 24 |
+
"cdr_fw_aligned": 2.3255438804626465,
|
| 25 |
+
"cdr1": 0.40666282176971436,
|
| 26 |
+
"cdr2": 0.2460278570652008,
|
| 27 |
+
"cdr3": 1.7892683744430542,
|
| 28 |
+
"cdr1_fw_aligned": 1.6128219366073608,
|
| 29 |
+
"cdr2_fw_aligned": 1.9838885068893433,
|
| 30 |
+
"cdr3_fw_aligned": 2.8138465881347656,
|
| 31 |
+
"num_residues": 223,
|
| 32 |
+
"num_cdr_residues": 27
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "C",
|
| 36 |
+
"total": 1.2215858697891235,
|
| 37 |
+
"cdr": 0.4731394648551941,
|
| 38 |
+
"framework": 1.1788485050201416,
|
| 39 |
+
"cdr_fw_aligned": 1.7586041688919067,
|
| 40 |
+
"cdr1": 0.2528996169567108,
|
| 41 |
+
"cdr2": 0.23486542701721191,
|
| 42 |
+
"cdr3": 0.578070878982544,
|
| 43 |
+
"cdr1_fw_aligned": 2.0598535537719727,
|
| 44 |
+
"cdr2_fw_aligned": 1.653649091720581,
|
| 45 |
+
"cdr3_fw_aligned": 1.473188042640686,
|
| 46 |
+
"num_residues": 210,
|
| 47 |
+
"num_cdr_residues": 29
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 896,
|
| 51 |
+
"num_gt_atoms": 892,
|
| 52 |
+
"num_aligned_atoms": 892
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 852,
|
| 56 |
+
"num_gt_atoms": 840,
|
| 57 |
+
"num_aligned_atoms": 840
|
| 58 |
+
}
|
| 59 |
+
}
|
8vww_B_C_A_sample_1_rmsd_backbone.json
ADDED
|
@@ -0,0 +1,59 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"entry": "8vww_B_C_A_sample_1",
|
| 3 |
+
"success": true,
|
| 4 |
+
"error": null,
|
| 5 |
+
"rmsd": {
|
| 6 |
+
"total": 0.8734241127967834,
|
| 7 |
+
"cdr": 0.9567458033561707,
|
| 8 |
+
"framework": 0.8072766661643982,
|
| 9 |
+
"cdr_fw_aligned": 1.1091724634170532
|
| 10 |
+
},
|
| 11 |
+
"num_pred_atoms": 1760,
|
| 12 |
+
"num_gt_atoms": 916,
|
| 13 |
+
"num_aligned_atoms": 916,
|
| 14 |
+
"alignment_coverage": {
|
| 15 |
+
"pred_coverage": 0.5204545454545455,
|
| 16 |
+
"gt_coverage": 1.0,
|
| 17 |
+
"full_coverage": false
|
| 18 |
+
},
|
| 19 |
+
"heavy_chain": {
|
| 20 |
+
"chain_id": "B",
|
| 21 |
+
"total": 0.7762474417686462,
|
| 22 |
+
"cdr": 0.9921025633811951,
|
| 23 |
+
"framework": 0.6671572923660278,
|
| 24 |
+
"cdr_fw_aligned": 1.114143967628479,
|
| 25 |
+
"cdr1": 0.5218567848205566,
|
| 26 |
+
"cdr2": 0.1926048845052719,
|
| 27 |
+
"cdr3": 0.8572809100151062,
|
| 28 |
+
"cdr1_fw_aligned": 1.0373995304107666,
|
| 29 |
+
"cdr2_fw_aligned": 0.3718276619911194,
|
| 30 |
+
"cdr3_fw_aligned": 1.310653567314148,
|
| 31 |
+
"num_residues": 122,
|
| 32 |
+
"num_cdr_residues": 26
|
| 33 |
+
},
|
| 34 |
+
"light_chain": {
|
| 35 |
+
"chain_id": "C",
|
| 36 |
+
"total": 0.9706007838249207,
|
| 37 |
+
"cdr": 0.9213890433311462,
|
| 38 |
+
"framework": 0.9473960399627686,
|
| 39 |
+
"cdr_fw_aligned": 1.1042009592056274,
|
| 40 |
+
"cdr1": 1.1481717824935913,
|
| 41 |
+
"cdr2": 0.689459502696991,
|
| 42 |
+
"cdr3": 0.446781724691391,
|
| 43 |
+
"cdr1_fw_aligned": 1.3014544248580933,
|
| 44 |
+
"cdr2_fw_aligned": 1.087679386138916,
|
| 45 |
+
"cdr3_fw_aligned": 0.8169634342193604,
|
| 46 |
+
"num_residues": 107,
|
| 47 |
+
"num_cdr_residues": 27
|
| 48 |
+
},
|
| 49 |
+
"heavy_chain_atom_counts": {
|
| 50 |
+
"num_pred_atoms": 912,
|
| 51 |
+
"num_gt_atoms": 488,
|
| 52 |
+
"num_aligned_atoms": 488
|
| 53 |
+
},
|
| 54 |
+
"light_chain_atom_counts": {
|
| 55 |
+
"num_pred_atoms": 848,
|
| 56 |
+
"num_gt_atoms": 428,
|
| 57 |
+
"num_aligned_atoms": 428
|
| 58 |
+
}
|
| 59 |
+
}
|