jz666 commited on
Commit
456c044
·
verified ·
1 Parent(s): d3c9dff

Add files using upload-large-folder tool

Browse files
Files changed (50) hide show
  1. 7xic_K_L_B_sample_2_rmsd_backbone.json +59 -0
  2. 8qz6_B__A_sample_0_rmsd.json +39 -0
  3. 8r40_A_a_C_sample_4_rmsd_backbone.json +59 -0
  4. 8r80_H_L_R_sample_2_rmsd.json +59 -0
  5. 8rvn_H_L_F_sample_1_rmsd.json +59 -0
  6. 8sdg_G_I_C_sample_2_rmsd_backbone.json +59 -0
  7. 8sfx_D__B_sample_0_rmsd_backbone.json +39 -0
  8. 8sgi_H_L_A_sample_0_rmsd.json +59 -0
  9. 8sit_H_L_A_sample_2_rmsd_backbone.json +59 -0
  10. 8slb_H_L_A_sample_3_rmsd_backbone.json +59 -0
  11. 8so3_Y_Z_X_sample_0_rmsd_backbone.json +59 -0
  12. 8tbb_H_L_D_sample_1_rmsd_backbone.json +59 -0
  13. 8tg9_H_L_A_sample_2_rmsd_backbone.json +59 -0
  14. 8tkc_G_H_AB_sample_1_rmsd_backbone.json +59 -0
  15. 8tnj_D_C_A_sample_3_rmsd.json +59 -0
  16. 8tq9_H_L_AB_sample_2_rmsd.json +59 -0
  17. 8tr3_H_L_A_sample_0_rmsd_backbone.json +59 -0
  18. 8tv1_D_E_C_sample_3_rmsd_backbone.json +59 -0
  19. 8txm_H_L_AB_sample_2_rmsd_backbone.json +59 -0
  20. 8txp_H_L_AB_sample_0_rmsd.json +59 -0
  21. 8txt_H_L_EF_sample_2_rmsd_backbone.json +59 -0
  22. 8ty7_H_L_AB_sample_2_rmsd_backbone.json +59 -0
  23. 8ulj_H_L_AB_sample_0_rmsd.json +59 -0
  24. 8ulj_H_L_AB_sample_3_rmsd_backbone.json +59 -0
  25. 8uoa_B__A_sample_4_rmsd.json +39 -0
  26. 8vdl_H_L_C_sample_1_rmsd_backbone.json +59 -0
  27. 8vk1_F_E_D_sample_0_rmsd.json +59 -0
  28. 8vqd_C_B_A_sample_2_rmsd_backbone.json +59 -0
  29. 8vul_H_L_A_sample_2_rmsd.json +59 -0
  30. 8vuy_H_L_A_sample_2_rmsd.json +59 -0
  31. 8w0v_H_L_C_sample_0_rmsd_backbone.json +59 -0
  32. 8w9j_H_L_C_sample_1_rmsd_backbone.json +59 -0
  33. 8wej_H_L_B_sample_1_rmsd_backbone.json +59 -0
  34. 8weo_C__B_sample_2_rmsd_backbone.json +39 -0
  35. 8wfm_A_a_B_sample_4_rmsd.json +59 -0
  36. 8xi6_D_E_A_sample_2_rmsd.json +59 -0
  37. 8xk6_H_L_A_sample_2_rmsd_backbone.json +59 -0
  38. 8xs3_A_B_C_sample_0_rmsd.json +59 -0
  39. 8xse_H_L_A_sample_2_rmsd.json +59 -0
  40. 8zby_H_D_A_sample_1_rmsd.json +59 -0
  41. 8zc0_H_G_A_sample_3_rmsd.json +59 -0
  42. 8zc0_H_G_A_sample_4_rmsd_backbone.json +59 -0
  43. 8zc4_H_G_A_sample_1_rmsd_backbone.json +59 -0
  44. 8zer_H__G_sample_4_rmsd_backbone.json +39 -0
  45. 8zhe_H_L_A_sample_0_rmsd_backbone.json +59 -0
  46. 8zhg_H_L_C_sample_4_rmsd_backbone.json +59 -0
  47. 8zpb_B__A_sample_2_rmsd_backbone.json +39 -0
  48. 9bia_E__BD_sample_1_rmsd.json +39 -0
  49. 9bu8_C_D_AB_sample_2_rmsd_backbone.json +59 -0
  50. 9fve_B__A_sample_0_rmsd.json +39 -0
7xic_K_L_B_sample_2_rmsd_backbone.json ADDED
@@ -0,0 +1,59 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "entry": "7xic_K_L_B_sample_2",
3
+ "success": true,
4
+ "error": null,
5
+ "rmsd": {
6
+ "total": 1.3894572257995605,
7
+ "cdr": 2.239657312631607,
8
+ "framework": 0.4398072510957718,
9
+ "cdr_fw_aligned": 2.8206971883773804
10
+ },
11
+ "num_pred_atoms": 948,
12
+ "num_gt_atoms": 948,
13
+ "num_aligned_atoms": 948,
14
+ "alignment_coverage": {
15
+ "pred_coverage": 1.0,
16
+ "gt_coverage": 1.0,
17
+ "full_coverage": true
18
+ },
19
+ "heavy_chain": {
20
+ "chain_id": "K",
21
+ "total": 2.3075103759765625,
22
+ "cdr": 3.9364044666290283,
23
+ "framework": 0.46197807788848877,
24
+ "cdr_fw_aligned": 5.02395486831665,
25
+ "cdr1": 0.3412797152996063,
26
+ "cdr2": 0.2844138443470001,
27
+ "cdr3": 3.08024001121521,
28
+ "cdr1_fw_aligned": 0.7146751880645752,
29
+ "cdr2_fw_aligned": 0.6785352230072021,
30
+ "cdr3_fw_aligned": 6.494320869445801,
31
+ "num_residues": 129,
32
+ "num_cdr_residues": 32
33
+ },
34
+ "light_chain": {
35
+ "chain_id": "L",
36
+ "total": 0.4714040756225586,
37
+ "cdr": 0.5429101586341858,
38
+ "framework": 0.4176364243030548,
39
+ "cdr_fw_aligned": 0.6174395084381104,
40
+ "cdr1": 0.26869136095046997,
41
+ "cdr2": 0.24249878525733948,
42
+ "cdr3": 0.7514395117759705,
43
+ "cdr1_fw_aligned": 0.3801605999469757,
44
+ "cdr2_fw_aligned": 0.3978034257888794,
45
+ "cdr3_fw_aligned": 0.893142819404602,
46
+ "num_residues": 108,
47
+ "num_cdr_residues": 28
48
+ },
49
+ "heavy_chain_atom_counts": {
50
+ "num_pred_atoms": 516,
51
+ "num_gt_atoms": 516,
52
+ "num_aligned_atoms": 516
53
+ },
54
+ "light_chain_atom_counts": {
55
+ "num_pred_atoms": 432,
56
+ "num_gt_atoms": 432,
57
+ "num_aligned_atoms": 432
58
+ }
59
+ }
8qz6_B__A_sample_0_rmsd.json ADDED
@@ -0,0 +1,39 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "entry": "8qz6_B__A_sample_0",
3
+ "success": true,
4
+ "error": null,
5
+ "rmsd": {
6
+ "total": 1.5491770505905151,
7
+ "cdr": 2.3504838943481445,
8
+ "framework": 1.078904151916504,
9
+ "cdr_fw_aligned": 2.7897489070892334
10
+ },
11
+ "num_pred_atoms": 1016,
12
+ "num_gt_atoms": 913,
13
+ "num_aligned_atoms": 862,
14
+ "alignment_coverage": {
15
+ "pred_coverage": 0.8484251968503937,
16
+ "gt_coverage": 0.9441401971522454,
17
+ "full_coverage": false
18
+ },
19
+ "heavy_chain": {
20
+ "chain_id": "B",
21
+ "total": 1.5491770505905151,
22
+ "cdr": 2.3504838943481445,
23
+ "framework": 1.078904151916504,
24
+ "cdr_fw_aligned": 2.7897489070892334,
25
+ "cdr1": 1.5957703590393066,
26
+ "cdr2": 0.30735865235328674,
27
+ "cdr3": 2.452760934829712,
28
+ "cdr1_fw_aligned": 1.870308518409729,
29
+ "cdr2_fw_aligned": 0.5038375854492188,
30
+ "cdr3_fw_aligned": 3.611239433288574,
31
+ "num_residues": 124,
32
+ "num_cdr_residues": 30
33
+ },
34
+ "heavy_chain_atom_counts": {
35
+ "num_pred_atoms": 1016,
36
+ "num_gt_atoms": 913,
37
+ "num_aligned_atoms": 862
38
+ }
39
+ }
8r40_A_a_C_sample_4_rmsd_backbone.json ADDED
@@ -0,0 +1,59 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "entry": "8r40_A_a_C_sample_4",
3
+ "success": true,
4
+ "error": null,
5
+ "rmsd": {
6
+ "total": 16.588726043701172,
7
+ "cdr": 1.8199697136878967,
8
+ "framework": 14.366896629333496,
9
+ "cdr_fw_aligned": 31.88613224029541
10
+ },
11
+ "num_pred_atoms": 2096,
12
+ "num_gt_atoms": 1936,
13
+ "num_aligned_atoms": 1936,
14
+ "alignment_coverage": {
15
+ "pred_coverage": 0.9236641221374046,
16
+ "gt_coverage": 1.0,
17
+ "full_coverage": false
18
+ },
19
+ "heavy_chain": {
20
+ "chain_id": "A",
21
+ "total": 16.588726043701172,
22
+ "cdr": 2.5774288177490234,
23
+ "framework": 14.331916809082031,
24
+ "cdr_fw_aligned": 32.777122497558594,
25
+ "cdr1": 1.6177926063537598,
26
+ "cdr2": 0.26333725452423096,
27
+ "cdr3": 2.4872262477874756,
28
+ "cdr1_fw_aligned": 29.278329849243164,
29
+ "cdr2_fw_aligned": 27.13359260559082,
30
+ "cdr3_fw_aligned": 35.65778350830078,
31
+ "num_residues": 242,
32
+ "num_cdr_residues": 31
33
+ },
34
+ "light_chain": {
35
+ "chain_id": "A",
36
+ "total": 16.588726043701172,
37
+ "cdr": 1.06251060962677,
38
+ "framework": 14.401876449584961,
39
+ "cdr_fw_aligned": 30.995141983032227,
40
+ "cdr1": 0.41180071234703064,
41
+ "cdr2": 0.2837226688861847,
42
+ "cdr3": 1.3376706838607788,
43
+ "cdr1_fw_aligned": 31.638376235961914,
44
+ "cdr2_fw_aligned": 31.54824447631836,
45
+ "cdr3_fw_aligned": 29.891742706298828,
46
+ "num_residues": 242,
47
+ "num_cdr_residues": 33
48
+ },
49
+ "heavy_chain_atom_counts": {
50
+ "num_pred_atoms": 1048,
51
+ "num_gt_atoms": 968,
52
+ "num_aligned_atoms": 968
53
+ },
54
+ "light_chain_atom_counts": {
55
+ "num_pred_atoms": 1048,
56
+ "num_gt_atoms": 968,
57
+ "num_aligned_atoms": 968
58
+ }
59
+ }
8r80_H_L_R_sample_2_rmsd.json ADDED
@@ -0,0 +1,59 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "entry": "8r80_H_L_R_sample_2",
3
+ "success": true,
4
+ "error": null,
5
+ "rmsd": {
6
+ "total": 1.352264404296875,
7
+ "cdr": 2.3645296692848206,
8
+ "framework": 1.1248844861984253,
9
+ "cdr_fw_aligned": 2.6662817001342773
10
+ },
11
+ "num_pred_atoms": 3264,
12
+ "num_gt_atoms": 3268,
13
+ "num_aligned_atoms": 3206,
14
+ "alignment_coverage": {
15
+ "pred_coverage": 0.9822303921568627,
16
+ "gt_coverage": 0.9810281517747858,
17
+ "full_coverage": false
18
+ },
19
+ "heavy_chain": {
20
+ "chain_id": "H",
21
+ "total": 1.6345727443695068,
22
+ "cdr": 3.508652448654175,
23
+ "framework": 1.2090009450912476,
24
+ "cdr_fw_aligned": 4.04390287399292,
25
+ "cdr1": 0.6935759782791138,
26
+ "cdr2": 0.8551074862480164,
27
+ "cdr3": 3.8264307975769043,
28
+ "cdr1_fw_aligned": 1.630354881286621,
29
+ "cdr2_fw_aligned": 1.5510387420654297,
30
+ "cdr3_fw_aligned": 5.854437351226807,
31
+ "num_residues": 220,
32
+ "num_cdr_residues": 23
33
+ },
34
+ "light_chain": {
35
+ "chain_id": "L",
36
+ "total": 1.0699560642242432,
37
+ "cdr": 1.2204068899154663,
38
+ "framework": 1.040768027305603,
39
+ "cdr_fw_aligned": 1.2886605262756348,
40
+ "cdr1": 0.6297681331634521,
41
+ "cdr2": 0.4419662058353424,
42
+ "cdr3": 1.3605684041976929,
43
+ "cdr1_fw_aligned": 0.8813648819923401,
44
+ "cdr2_fw_aligned": 0.6109457612037659,
45
+ "cdr3_fw_aligned": 1.8841382265090942,
46
+ "num_residues": 214,
47
+ "num_cdr_residues": 27
48
+ },
49
+ "heavy_chain_atom_counts": {
50
+ "num_pred_atoms": 1641,
51
+ "num_gt_atoms": 1615,
52
+ "num_aligned_atoms": 1590
53
+ },
54
+ "light_chain_atom_counts": {
55
+ "num_pred_atoms": 1623,
56
+ "num_gt_atoms": 1653,
57
+ "num_aligned_atoms": 1616
58
+ }
59
+ }
8rvn_H_L_F_sample_1_rmsd.json ADDED
@@ -0,0 +1,59 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "entry": "8rvn_H_L_F_sample_1",
3
+ "success": true,
4
+ "error": null,
5
+ "rmsd": {
6
+ "total": 2.080580234527588,
7
+ "cdr": 2.4414173364639282,
8
+ "framework": 1.915061116218567,
9
+ "cdr_fw_aligned": 2.7893494367599487
10
+ },
11
+ "num_pred_atoms": 3164,
12
+ "num_gt_atoms": 1632,
13
+ "num_aligned_atoms": 1578,
14
+ "alignment_coverage": {
15
+ "pred_coverage": 0.49873577749683945,
16
+ "gt_coverage": 0.9669117647058824,
17
+ "full_coverage": false
18
+ },
19
+ "heavy_chain": {
20
+ "chain_id": "H",
21
+ "total": 1.5682454109191895,
22
+ "cdr": 2.296421527862549,
23
+ "framework": 1.3016765117645264,
24
+ "cdr_fw_aligned": 2.642047166824341,
25
+ "cdr1": 0.9467782378196716,
26
+ "cdr2": 1.1225823163986206,
27
+ "cdr3": 2.909329891204834,
28
+ "cdr1_fw_aligned": 1.6131858825683594,
29
+ "cdr2_fw_aligned": 1.3618416786193848,
30
+ "cdr3_fw_aligned": 3.436978340148926,
31
+ "num_residues": 117,
32
+ "num_cdr_residues": 25
33
+ },
34
+ "light_chain": {
35
+ "chain_id": "L",
36
+ "total": 2.5929150581359863,
37
+ "cdr": 2.5864131450653076,
38
+ "framework": 2.5284457206726074,
39
+ "cdr_fw_aligned": 2.9366517066955566,
40
+ "cdr1": 1.3872056007385254,
41
+ "cdr2": 0.4809570908546448,
42
+ "cdr3": 3.74881911277771,
43
+ "cdr1_fw_aligned": 2.3649463653564453,
44
+ "cdr2_fw_aligned": 0.8169984221458435,
45
+ "cdr3_fw_aligned": 4.106815814971924,
46
+ "num_residues": 104,
47
+ "num_cdr_residues": 28
48
+ },
49
+ "heavy_chain_atom_counts": {
50
+ "num_pred_atoms": 1595,
51
+ "num_gt_atoms": 864,
52
+ "num_aligned_atoms": 839
53
+ },
54
+ "light_chain_atom_counts": {
55
+ "num_pred_atoms": 1569,
56
+ "num_gt_atoms": 768,
57
+ "num_aligned_atoms": 739
58
+ }
59
+ }
8sdg_G_I_C_sample_2_rmsd_backbone.json ADDED
@@ -0,0 +1,59 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "entry": "8sdg_G_I_C_sample_2",
3
+ "success": true,
4
+ "error": null,
5
+ "rmsd": {
6
+ "total": 2.3260385990142822,
7
+ "cdr": 2.935649275779724,
8
+ "framework": 1.9176645278930664,
9
+ "cdr_fw_aligned": 4.438305377960205
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": 2.5739965438842773,
22
+ "cdr": 4.331899642944336,
23
+ "framework": 2.077367067337036,
24
+ "cdr_fw_aligned": 4.854172706604004,
25
+ "cdr1": 0.4892188310623169,
26
+ "cdr2": 0.977168619632721,
27
+ "cdr3": 3.2703452110290527,
28
+ "cdr1_fw_aligned": 3.0079762935638428,
29
+ "cdr2_fw_aligned": 2.6194467544555664,
30
+ "cdr3_fw_aligned": 6.454196929931641,
31
+ "num_residues": 219,
32
+ "num_cdr_residues": 28
33
+ },
34
+ "light_chain": {
35
+ "chain_id": "I",
36
+ "total": 2.078080654144287,
37
+ "cdr": 1.5393989086151123,
38
+ "framework": 1.7579619884490967,
39
+ "cdr_fw_aligned": 4.022438049316406,
40
+ "cdr1": 0.3502413332462311,
41
+ "cdr2": 0.32350990176200867,
42
+ "cdr3": 2.0968093872070312,
43
+ "cdr1_fw_aligned": 3.3547298908233643,
44
+ "cdr2_fw_aligned": 2.6076419353485107,
45
+ "cdr3_fw_aligned": 5.203378200531006,
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_0_rmsd_backbone.json ADDED
@@ -0,0 +1,39 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "entry": "8sfx_D__B_sample_0",
3
+ "success": true,
4
+ "error": null,
5
+ "rmsd": {
6
+ "total": 0.7223901748657227,
7
+ "cdr": 0.5650525689125061,
8
+ "framework": 0.6890121698379517,
9
+ "cdr_fw_aligned": 0.9955715537071228
10
+ },
11
+ "num_pred_atoms": 568,
12
+ "num_gt_atoms": 480,
13
+ "num_aligned_atoms": 480,
14
+ "alignment_coverage": {
15
+ "pred_coverage": 0.8450704225352113,
16
+ "gt_coverage": 1.0,
17
+ "full_coverage": false
18
+ },
19
+ "heavy_chain": {
20
+ "chain_id": "D",
21
+ "total": 0.7223901748657227,
22
+ "cdr": 0.5650525689125061,
23
+ "framework": 0.6890121698379517,
24
+ "cdr_fw_aligned": 0.9955715537071228,
25
+ "cdr1": 0.2575942277908325,
26
+ "cdr2": 0.17757903039455414,
27
+ "cdr3": 0.411508172750473,
28
+ "cdr1_fw_aligned": 0.777362585067749,
29
+ "cdr2_fw_aligned": 1.355413556098938,
30
+ "cdr3_fw_aligned": 0.8694437146186829,
31
+ "num_residues": 120,
32
+ "num_cdr_residues": 25
33
+ },
34
+ "heavy_chain_atom_counts": {
35
+ "num_pred_atoms": 568,
36
+ "num_gt_atoms": 480,
37
+ "num_aligned_atoms": 480
38
+ }
39
+ }
8sgi_H_L_A_sample_0_rmsd.json ADDED
@@ -0,0 +1,59 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "entry": "8sgi_H_L_A_sample_0",
3
+ "success": true,
4
+ "error": null,
5
+ "rmsd": {
6
+ "total": 1.022207885980606,
7
+ "cdr": 1.2571731507778168,
8
+ "framework": 0.9011002779006958,
9
+ "cdr_fw_aligned": 1.4477098286151886
10
+ },
11
+ "num_pred_atoms": 3318,
12
+ "num_gt_atoms": 1757,
13
+ "num_aligned_atoms": 1668,
14
+ "alignment_coverage": {
15
+ "pred_coverage": 0.5027124773960217,
16
+ "gt_coverage": 0.9493454752418896,
17
+ "full_coverage": false
18
+ },
19
+ "heavy_chain": {
20
+ "chain_id": "H",
21
+ "total": 1.2306630611419678,
22
+ "cdr": 1.7723572254180908,
23
+ "framework": 0.9895141124725342,
24
+ "cdr_fw_aligned": 2.0497891902923584,
25
+ "cdr1": 0.7811395525932312,
26
+ "cdr2": 0.9076704978942871,
27
+ "cdr3": 2.2361061573028564,
28
+ "cdr1_fw_aligned": 0.9352371096611023,
29
+ "cdr2_fw_aligned": 1.0158475637435913,
30
+ "cdr3_fw_aligned": 2.8292219638824463,
31
+ "num_residues": 121,
32
+ "num_cdr_residues": 25
33
+ },
34
+ "light_chain": {
35
+ "chain_id": "L",
36
+ "total": 0.8137527108192444,
37
+ "cdr": 0.7419890761375427,
38
+ "framework": 0.8126864433288574,
39
+ "cdr_fw_aligned": 0.8456304669380188,
40
+ "cdr1": 0.8482794761657715,
41
+ "cdr2": 0.5581613183021545,
42
+ "cdr3": 0.45317694544792175,
43
+ "cdr1_fw_aligned": 1.0281752347946167,
44
+ "cdr2_fw_aligned": 0.6542913317680359,
45
+ "cdr3_fw_aligned": 0.6890853047370911,
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": 891
53
+ },
54
+ "light_chain_atom_counts": {
55
+ "num_pred_atoms": 1502,
56
+ "num_gt_atoms": 816,
57
+ "num_aligned_atoms": 777
58
+ }
59
+ }
8sit_H_L_A_sample_2_rmsd_backbone.json ADDED
@@ -0,0 +1,59 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "entry": "8sit_H_L_A_sample_2",
3
+ "success": true,
4
+ "error": null,
5
+ "rmsd": {
6
+ "total": 7.018763780593872,
7
+ "cdr": 1.2660317122936249,
8
+ "framework": 6.778024911880493,
9
+ "cdr_fw_aligned": 9.974560737609863
10
+ },
11
+ "num_pred_atoms": 1780,
12
+ "num_gt_atoms": 1724,
13
+ "num_aligned_atoms": 1724,
14
+ "alignment_coverage": {
15
+ "pred_coverage": 0.9685393258426966,
16
+ "gt_coverage": 1.0,
17
+ "full_coverage": false
18
+ },
19
+ "heavy_chain": {
20
+ "chain_id": "H",
21
+ "total": 7.163090705871582,
22
+ "cdr": 1.774454951286316,
23
+ "framework": 6.98822021484375,
24
+ "cdr_fw_aligned": 9.596403121948242,
25
+ "cdr1": 0.48817846179008484,
26
+ "cdr2": 1.6386007070541382,
27
+ "cdr3": 1.073617935180664,
28
+ "cdr1_fw_aligned": 12.205520629882812,
29
+ "cdr2_fw_aligned": 10.207283020019531,
30
+ "cdr3_fw_aligned": 8.20447826385498,
31
+ "num_residues": 221,
32
+ "num_cdr_residues": 32
33
+ },
34
+ "light_chain": {
35
+ "chain_id": "L",
36
+ "total": 6.874436855316162,
37
+ "cdr": 0.7576084733009338,
38
+ "framework": 6.567829608917236,
39
+ "cdr_fw_aligned": 10.352718353271484,
40
+ "cdr1": 0.8352161645889282,
41
+ "cdr2": 0.26966455578804016,
42
+ "cdr3": 0.43033578991889954,
43
+ "cdr1_fw_aligned": 11.896273612976074,
44
+ "cdr2_fw_aligned": 8.852952003479004,
45
+ "cdr3_fw_aligned": 9.548114776611328,
46
+ "num_residues": 210,
47
+ "num_cdr_residues": 29
48
+ },
49
+ "heavy_chain_atom_counts": {
50
+ "num_pred_atoms": 924,
51
+ "num_gt_atoms": 884,
52
+ "num_aligned_atoms": 884
53
+ },
54
+ "light_chain_atom_counts": {
55
+ "num_pred_atoms": 856,
56
+ "num_gt_atoms": 840,
57
+ "num_aligned_atoms": 840
58
+ }
59
+ }
8slb_H_L_A_sample_3_rmsd_backbone.json ADDED
@@ -0,0 +1,59 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "entry": "8slb_H_L_A_sample_3",
3
+ "success": true,
4
+ "error": null,
5
+ "rmsd": {
6
+ "total": 2.1477059721946716,
7
+ "cdr": 2.6077860891819,
8
+ "framework": 1.3905211687088013,
9
+ "cdr_fw_aligned": 4.842653512954712
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": 3.1344194412231445,
22
+ "cdr": 4.899276256561279,
23
+ "framework": 1.667527437210083,
24
+ "cdr_fw_aligned": 7.95560884475708,
25
+ "cdr1": 0.2818884551525116,
26
+ "cdr2": 0.18463832139968872,
27
+ "cdr3": 4.100509166717529,
28
+ "cdr1_fw_aligned": 3.904146432876587,
29
+ "cdr2_fw_aligned": 3.268157720565796,
30
+ "cdr3_fw_aligned": 9.712869644165039,
31
+ "num_residues": 222,
32
+ "num_cdr_residues": 34
33
+ },
34
+ "light_chain": {
35
+ "chain_id": "L",
36
+ "total": 1.1609925031661987,
37
+ "cdr": 0.31629592180252075,
38
+ "framework": 1.1135149002075195,
39
+ "cdr_fw_aligned": 1.7296981811523438,
40
+ "cdr1": 0.19267889857292175,
41
+ "cdr2": 0.12912864983081818,
42
+ "cdr3": 0.3452723026275635,
43
+ "cdr1_fw_aligned": 1.861607313156128,
44
+ "cdr2_fw_aligned": 1.9721211194992065,
45
+ "cdr3_fw_aligned": 1.3095312118530273,
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_0_rmsd_backbone.json ADDED
@@ -0,0 +1,59 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "entry": "8so3_Y_Z_X_sample_0",
3
+ "success": true,
4
+ "error": null,
5
+ "rmsd": {
6
+ "total": 9.12088394165039,
7
+ "cdr": 0.8125270903110504,
8
+ "framework": 8.660716772079468,
9
+ "cdr_fw_aligned": 12.909183979034424
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": 7.076647758483887,
22
+ "cdr": 0.8383516073226929,
23
+ "framework": 6.894758701324463,
24
+ "cdr_fw_aligned": 9.655062675476074,
25
+ "cdr1": 0.4115430414676666,
26
+ "cdr2": 0.3421633243560791,
27
+ "cdr3": 0.9338329434394836,
28
+ "cdr1_fw_aligned": 9.433575630187988,
29
+ "cdr2_fw_aligned": 6.8342604637146,
30
+ "cdr3_fw_aligned": 11.13947582244873,
31
+ "num_residues": 213,
32
+ "num_cdr_residues": 23
33
+ },
34
+ "light_chain": {
35
+ "chain_id": "Z",
36
+ "total": 11.165120124816895,
37
+ "cdr": 0.786702573299408,
38
+ "framework": 10.426674842834473,
39
+ "cdr_fw_aligned": 16.163305282592773,
40
+ "cdr1": 0.8270460963249207,
41
+ "cdr2": 0.43559548258781433,
42
+ "cdr3": 0.5873898863792419,
43
+ "cdr1_fw_aligned": 17.575828552246094,
44
+ "cdr2_fw_aligned": 10.044090270996094,
45
+ "cdr3_fw_aligned": 17.50872230529785,
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
+ }
8tbb_H_L_D_sample_1_rmsd_backbone.json ADDED
@@ -0,0 +1,59 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "entry": "8tbb_H_L_D_sample_1",
3
+ "success": true,
4
+ "error": null,
5
+ "rmsd": {
6
+ "total": 1.0650171339511871,
7
+ "cdr": 1.1625394970178604,
8
+ "framework": 0.8578415811061859,
9
+ "cdr_fw_aligned": 2.014561891555786
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": 1.2454673051834106,
22
+ "cdr": 2.0352087020874023,
23
+ "framework": 0.8727222681045532,
24
+ "cdr_fw_aligned": 2.7836945056915283,
25
+ "cdr1": 0.2649286985397339,
26
+ "cdr2": 0.23932157456874847,
27
+ "cdr3": 2.477571487426758,
28
+ "cdr1_fw_aligned": 1.296925663948059,
29
+ "cdr2_fw_aligned": 1.5670748949050903,
30
+ "cdr3_fw_aligned": 3.6126136779785156,
31
+ "num_residues": 219,
32
+ "num_cdr_residues": 27
33
+ },
34
+ "light_chain": {
35
+ "chain_id": "L",
36
+ "total": 0.8845669627189636,
37
+ "cdr": 0.2898702919483185,
38
+ "framework": 0.8429608941078186,
39
+ "cdr_fw_aligned": 1.245429277420044,
40
+ "cdr1": 0.21978116035461426,
41
+ "cdr2": 0.2500687837600708,
42
+ "cdr3": 0.2240649312734604,
43
+ "cdr1_fw_aligned": 1.4388220310211182,
44
+ "cdr2_fw_aligned": 0.6386567950248718,
45
+ "cdr3_fw_aligned": 1.343797206878662,
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
+ }
8tg9_H_L_A_sample_2_rmsd_backbone.json ADDED
@@ -0,0 +1,59 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "entry": "8tg9_H_L_A_sample_2",
3
+ "success": true,
4
+ "error": null,
5
+ "rmsd": {
6
+ "total": 1.417077124118805,
7
+ "cdr": 1.720398336648941,
8
+ "framework": 1.2188807129859924,
9
+ "cdr_fw_aligned": 2.3838241696357727
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": 1.5965406894683838,
22
+ "cdr": 2.6222870349884033,
23
+ "framework": 1.2263681888580322,
24
+ "cdr_fw_aligned": 3.2438249588012695,
25
+ "cdr1": 0.3296143710613251,
26
+ "cdr2": 0.477859228849411,
27
+ "cdr3": 2.573868751525879,
28
+ "cdr1_fw_aligned": 1.5730929374694824,
29
+ "cdr2_fw_aligned": 2.524751901626587,
30
+ "cdr3_fw_aligned": 3.9921517372131348,
31
+ "num_residues": 214,
32
+ "num_cdr_residues": 28
33
+ },
34
+ "light_chain": {
35
+ "chain_id": "L",
36
+ "total": 1.237613558769226,
37
+ "cdr": 0.8185096383094788,
38
+ "framework": 1.2113932371139526,
39
+ "cdr_fw_aligned": 1.5238233804702759,
40
+ "cdr1": 0.7290131449699402,
41
+ "cdr2": 0.9192143082618713,
42
+ "cdr3": 0.2809053957462311,
43
+ "cdr1_fw_aligned": 1.2864054441452026,
44
+ "cdr2_fw_aligned": 2.1318345069885254,
45
+ "cdr3_fw_aligned": 1.1378135681152344,
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
+ }
8tkc_G_H_AB_sample_1_rmsd_backbone.json ADDED
@@ -0,0 +1,59 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "entry": "8tkc_G_H_AB_sample_1",
3
+ "success": true,
4
+ "error": null,
5
+ "rmsd": {
6
+ "total": 1.9377820491790771,
7
+ "cdr": 2.234348386526108,
8
+ "framework": 0.48162949085235596,
9
+ "cdr_fw_aligned": 4.251533061265945
10
+ },
11
+ "num_pred_atoms": 1816,
12
+ "num_gt_atoms": 944,
13
+ "num_aligned_atoms": 944,
14
+ "alignment_coverage": {
15
+ "pred_coverage": 0.5198237885462555,
16
+ "gt_coverage": 1.0,
17
+ "full_coverage": false
18
+ },
19
+ "heavy_chain": {
20
+ "chain_id": "G",
21
+ "total": 3.279134750366211,
22
+ "cdr": 3.7832539081573486,
23
+ "framework": 0.4864877462387085,
24
+ "cdr_fw_aligned": 7.578403472900391,
25
+ "cdr1": 0.35903406143188477,
26
+ "cdr2": 0.2651539146900177,
27
+ "cdr3": 3.816542625427246,
28
+ "cdr1_fw_aligned": 0.5913593769073486,
29
+ "cdr2_fw_aligned": 0.7027397155761719,
30
+ "cdr3_fw_aligned": 9.972341537475586,
31
+ "num_residues": 129,
32
+ "num_cdr_residues": 33
33
+ },
34
+ "light_chain": {
35
+ "chain_id": "H",
36
+ "total": 0.5964293479919434,
37
+ "cdr": 0.6854428648948669,
38
+ "framework": 0.4767712354660034,
39
+ "cdr_fw_aligned": 0.9246626496315002,
40
+ "cdr1": 0.644622802734375,
41
+ "cdr2": 0.304095059633255,
42
+ "cdr3": 0.3662716746330261,
43
+ "cdr1_fw_aligned": 0.816087543964386,
44
+ "cdr2_fw_aligned": 0.6391451954841614,
45
+ "cdr3_fw_aligned": 1.1972262859344482,
46
+ "num_residues": 107,
47
+ "num_cdr_residues": 27
48
+ },
49
+ "heavy_chain_atom_counts": {
50
+ "num_pred_atoms": 960,
51
+ "num_gt_atoms": 516,
52
+ "num_aligned_atoms": 516
53
+ },
54
+ "light_chain_atom_counts": {
55
+ "num_pred_atoms": 856,
56
+ "num_gt_atoms": 428,
57
+ "num_aligned_atoms": 428
58
+ }
59
+ }
8tnj_D_C_A_sample_3_rmsd.json ADDED
@@ -0,0 +1,59 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "entry": "8tnj_D_C_A_sample_3",
3
+ "success": true,
4
+ "error": null,
5
+ "rmsd": {
6
+ "total": 1.2205005884170532,
7
+ "cdr": 1.5402117371559143,
8
+ "framework": 1.1228297352790833,
9
+ "cdr_fw_aligned": 1.930018961429596
10
+ },
11
+ "num_pred_atoms": 3302,
12
+ "num_gt_atoms": 3218,
13
+ "num_aligned_atoms": 3112,
14
+ "alignment_coverage": {
15
+ "pred_coverage": 0.9424591156874621,
16
+ "gt_coverage": 0.9670602858918583,
17
+ "full_coverage": false
18
+ },
19
+ "heavy_chain": {
20
+ "chain_id": "D",
21
+ "total": 1.1963732242584229,
22
+ "cdr": 1.349291443824768,
23
+ "framework": 1.1223067045211792,
24
+ "cdr_fw_aligned": 1.7940260171890259,
25
+ "cdr1": 0.7807870507240295,
26
+ "cdr2": 1.3749386072158813,
27
+ "cdr3": 0.7852597236633301,
28
+ "cdr1_fw_aligned": 1.5217244625091553,
29
+ "cdr2_fw_aligned": 2.7848615646362305,
30
+ "cdr3_fw_aligned": 1.2819199562072754,
31
+ "num_residues": 213,
32
+ "num_cdr_residues": 25
33
+ },
34
+ "light_chain": {
35
+ "chain_id": "C",
36
+ "total": 1.2446279525756836,
37
+ "cdr": 1.7311320304870605,
38
+ "framework": 1.1233527660369873,
39
+ "cdr_fw_aligned": 2.066011905670166,
40
+ "cdr1": 0.47460228204727173,
41
+ "cdr2": 0.7379995584487915,
42
+ "cdr3": 2.06784725189209,
43
+ "cdr1_fw_aligned": 1.017053484916687,
44
+ "cdr2_fw_aligned": 1.1352119445800781,
45
+ "cdr3_fw_aligned": 2.962817430496216,
46
+ "num_residues": 212,
47
+ "num_cdr_residues": 29
48
+ },
49
+ "heavy_chain_atom_counts": {
50
+ "num_pred_atoms": 1684,
51
+ "num_gt_atoms": 1602,
52
+ "num_aligned_atoms": 1544
53
+ },
54
+ "light_chain_atom_counts": {
55
+ "num_pred_atoms": 1618,
56
+ "num_gt_atoms": 1616,
57
+ "num_aligned_atoms": 1568
58
+ }
59
+ }
8tq9_H_L_AB_sample_2_rmsd.json ADDED
@@ -0,0 +1,59 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "entry": "8tq9_H_L_AB_sample_2",
3
+ "success": true,
4
+ "error": null,
5
+ "rmsd": {
6
+ "total": 3.4871506690979004,
7
+ "cdr": 1.3622210919857025,
8
+ "framework": 3.2094993591308594,
9
+ "cdr_fw_aligned": 6.002341270446777
10
+ },
11
+ "num_pred_atoms": 3226,
12
+ "num_gt_atoms": 3252,
13
+ "num_aligned_atoms": 3157,
14
+ "alignment_coverage": {
15
+ "pred_coverage": 0.9786112833230006,
16
+ "gt_coverage": 0.9707872078720787,
17
+ "full_coverage": false
18
+ },
19
+ "heavy_chain": {
20
+ "chain_id": "H",
21
+ "total": 3.5983877182006836,
22
+ "cdr": 1.8899298906326294,
23
+ "framework": 3.337409734725952,
24
+ "cdr_fw_aligned": 6.0040435791015625,
25
+ "cdr1": 0.7973947525024414,
26
+ "cdr2": 0.2987934648990631,
27
+ "cdr3": 2.1054766178131104,
28
+ "cdr1_fw_aligned": 6.265683650970459,
29
+ "cdr2_fw_aligned": 5.599809169769287,
30
+ "cdr3_fw_aligned": 6.0245208740234375,
31
+ "num_residues": 218,
32
+ "num_cdr_residues": 25
33
+ },
34
+ "light_chain": {
35
+ "chain_id": "L",
36
+ "total": 3.375913619995117,
37
+ "cdr": 0.8345122933387756,
38
+ "framework": 3.0815889835357666,
39
+ "cdr_fw_aligned": 6.000638961791992,
40
+ "cdr1": 0.7153806686401367,
41
+ "cdr2": 0.8901955485343933,
42
+ "cdr3": 0.758291482925415,
43
+ "cdr1_fw_aligned": 6.796202182769775,
44
+ "cdr2_fw_aligned": 4.536110877990723,
45
+ "cdr3_fw_aligned": 5.805721282958984,
46
+ "num_residues": 212,
47
+ "num_cdr_residues": 27
48
+ },
49
+ "heavy_chain_atom_counts": {
50
+ "num_pred_atoms": 1602,
51
+ "num_gt_atoms": 1621,
52
+ "num_aligned_atoms": 1565
53
+ },
54
+ "light_chain_atom_counts": {
55
+ "num_pred_atoms": 1624,
56
+ "num_gt_atoms": 1631,
57
+ "num_aligned_atoms": 1592
58
+ }
59
+ }
8tr3_H_L_A_sample_0_rmsd_backbone.json ADDED
@@ -0,0 +1,59 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "entry": "8tr3_H_L_A_sample_0",
3
+ "success": true,
4
+ "error": null,
5
+ "rmsd": {
6
+ "total": 1.3996339440345764,
7
+ "cdr": 2.174328625202179,
8
+ "framework": 0.8361339271068573,
9
+ "cdr_fw_aligned": 2.4661237597465515
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": 1.5290000438690186,
22
+ "cdr": 2.904608964920044,
23
+ "framework": 0.6116090416908264,
24
+ "cdr_fw_aligned": 3.100381851196289,
25
+ "cdr1": 0.43548455834388733,
26
+ "cdr2": 0.44046157598495483,
27
+ "cdr3": 2.6623940467834473,
28
+ "cdr1_fw_aligned": 0.7432880401611328,
29
+ "cdr2_fw_aligned": 0.6214678883552551,
30
+ "cdr3_fw_aligned": 4.186977863311768,
31
+ "num_residues": 124,
32
+ "num_cdr_residues": 28
33
+ },
34
+ "light_chain": {
35
+ "chain_id": "L",
36
+ "total": 1.2702678442001343,
37
+ "cdr": 1.444048285484314,
38
+ "framework": 1.0606588125228882,
39
+ "cdr_fw_aligned": 1.831865668296814,
40
+ "cdr1": 0.4064575135707855,
41
+ "cdr2": 1.2582670450210571,
42
+ "cdr3": 0.8438369631767273,
43
+ "cdr1_fw_aligned": 0.741804301738739,
44
+ "cdr2_fw_aligned": 3.286419630050659,
45
+ "cdr3_fw_aligned": 1.1092196702957153,
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
+ }
8tv1_D_E_C_sample_3_rmsd_backbone.json ADDED
@@ -0,0 +1,59 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "entry": "8tv1_D_E_C_sample_3",
3
+ "success": true,
4
+ "error": null,
5
+ "rmsd": {
6
+ "total": 1.7552220225334167,
7
+ "cdr": 3.0165827870368958,
8
+ "framework": 1.1087357997894287,
9
+ "cdr_fw_aligned": 3.6954113245010376
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": 2.4923291206359863,
22
+ "cdr": 4.918447017669678,
23
+ "framework": 1.2705426216125488,
24
+ "cdr_fw_aligned": 5.9559454917907715,
25
+ "cdr1": 0.276682049036026,
26
+ "cdr2": 1.1249213218688965,
27
+ "cdr3": 4.5103654861450195,
28
+ "cdr1_fw_aligned": 2.373807191848755,
29
+ "cdr2_fw_aligned": 2.7737913131713867,
30
+ "cdr3_fw_aligned": 7.3654937744140625,
31
+ "num_residues": 230,
32
+ "num_cdr_residues": 33
33
+ },
34
+ "light_chain": {
35
+ "chain_id": "E",
36
+ "total": 1.0181149244308472,
37
+ "cdr": 1.1147185564041138,
38
+ "framework": 0.9469289779663086,
39
+ "cdr_fw_aligned": 1.4348771572113037,
40
+ "cdr1": 1.2419471740722656,
41
+ "cdr2": 0.1915169060230255,
42
+ "cdr3": 0.9240451455116272,
43
+ "cdr1_fw_aligned": 1.7465202808380127,
44
+ "cdr2_fw_aligned": 0.9540372490882874,
45
+ "cdr3_fw_aligned": 1.3192778825759888,
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
+ }
8txm_H_L_AB_sample_2_rmsd_backbone.json ADDED
@@ -0,0 +1,59 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "entry": "8txm_H_L_AB_sample_2",
3
+ "success": true,
4
+ "error": null,
5
+ "rmsd": {
6
+ "total": 1.127585917711258,
7
+ "cdr": 1.605858713388443,
8
+ "framework": 0.9578457474708557,
9
+ "cdr_fw_aligned": 2.00089430809021
10
+ },
11
+ "num_pred_atoms": 1760,
12
+ "num_gt_atoms": 1760,
13
+ "num_aligned_atoms": 1760,
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": 1.42954683303833,
22
+ "cdr": 2.5333855152130127,
23
+ "framework": 1.1295369863510132,
24
+ "cdr_fw_aligned": 2.8509881496429443,
25
+ "cdr1": 2.3534598350524902,
26
+ "cdr2": 0.2983851432800293,
27
+ "cdr3": 2.085040330886841,
28
+ "cdr1_fw_aligned": 3.3908207416534424,
29
+ "cdr2_fw_aligned": 1.8596947193145752,
30
+ "cdr3_fw_aligned": 2.9059691429138184,
31
+ "num_residues": 226,
32
+ "num_cdr_residues": 27
33
+ },
34
+ "light_chain": {
35
+ "chain_id": "L",
36
+ "total": 0.8256250023841858,
37
+ "cdr": 0.6783319115638733,
38
+ "framework": 0.7861545085906982,
39
+ "cdr_fw_aligned": 1.1508004665374756,
40
+ "cdr1": 0.43838536739349365,
41
+ "cdr2": 0.285270094871521,
42
+ "cdr3": 0.8976160883903503,
43
+ "cdr1_fw_aligned": 1.032018780708313,
44
+ "cdr2_fw_aligned": 0.8788514733314514,
45
+ "cdr3_fw_aligned": 1.438934564590454,
46
+ "num_residues": 214,
47
+ "num_cdr_residues": 27
48
+ },
49
+ "heavy_chain_atom_counts": {
50
+ "num_pred_atoms": 904,
51
+ "num_gt_atoms": 904,
52
+ "num_aligned_atoms": 904
53
+ },
54
+ "light_chain_atom_counts": {
55
+ "num_pred_atoms": 856,
56
+ "num_gt_atoms": 856,
57
+ "num_aligned_atoms": 856
58
+ }
59
+ }
8txp_H_L_AB_sample_0_rmsd.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": 3.3622286319732666,
7
+ "cdr": 2.370301127433777,
8
+ "framework": 3.1013103723526,
9
+ "cdr_fw_aligned": 5.606868505477905
10
+ },
11
+ "num_pred_atoms": 3249,
12
+ "num_gt_atoms": 3281,
13
+ "num_aligned_atoms": 3206,
14
+ "alignment_coverage": {
15
+ "pred_coverage": 0.9867651585103109,
16
+ "gt_coverage": 0.977141115513563,
17
+ "full_coverage": false
18
+ },
19
+ "heavy_chain": {
20
+ "chain_id": "H",
21
+ "total": 3.482717990875244,
22
+ "cdr": 3.836364507675171,
23
+ "framework": 3.1720635890960693,
24
+ "cdr_fw_aligned": 5.879732608795166,
25
+ "cdr1": 3.341662883758545,
26
+ "cdr2": 0.3513756990432739,
27
+ "cdr3": 3.2685773372650146,
28
+ "cdr1_fw_aligned": 7.637134552001953,
29
+ "cdr2_fw_aligned": 6.996989727020264,
30
+ "cdr3_fw_aligned": 3.906604290008545,
31
+ "num_residues": 224,
32
+ "num_cdr_residues": 27
33
+ },
34
+ "light_chain": {
35
+ "chain_id": "L",
36
+ "total": 3.241739273071289,
37
+ "cdr": 0.9042377471923828,
38
+ "framework": 3.030557155609131,
39
+ "cdr_fw_aligned": 5.3340044021606445,
40
+ "cdr1": 1.0220125913619995,
41
+ "cdr2": 0.35074159502983093,
42
+ "cdr3": 0.6067140698432922,
43
+ "cdr1_fw_aligned": 5.599783897399902,
44
+ "cdr2_fw_aligned": 4.73975944519043,
45
+ "cdr3_fw_aligned": 5.3261847496032715,
46
+ "num_residues": 213,
47
+ "num_cdr_residues": 27
48
+ },
49
+ "heavy_chain_atom_counts": {
50
+ "num_pred_atoms": 1631,
51
+ "num_gt_atoms": 1644,
52
+ "num_aligned_atoms": 1604
53
+ },
54
+ "light_chain_atom_counts": {
55
+ "num_pred_atoms": 1618,
56
+ "num_gt_atoms": 1637,
57
+ "num_aligned_atoms": 1602
58
+ }
59
+ }
8txt_H_L_EF_sample_2_rmsd_backbone.json ADDED
@@ -0,0 +1,59 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "entry": "8txt_H_L_EF_sample_2",
3
+ "success": true,
4
+ "error": null,
5
+ "rmsd": {
6
+ "total": 4.686372995376587,
7
+ "cdr": 1.6518883407115936,
8
+ "framework": 4.3899219036102295,
9
+ "cdr_fw_aligned": 7.233943462371826
10
+ },
11
+ "num_pred_atoms": 1756,
12
+ "num_gt_atoms": 1744,
13
+ "num_aligned_atoms": 1744,
14
+ "alignment_coverage": {
15
+ "pred_coverage": 0.9931662870159453,
16
+ "gt_coverage": 1.0,
17
+ "full_coverage": false
18
+ },
19
+ "heavy_chain": {
20
+ "chain_id": "H",
21
+ "total": 4.952126502990723,
22
+ "cdr": 2.6086325645446777,
23
+ "framework": 4.715744972229004,
24
+ "cdr_fw_aligned": 7.0774335861206055,
25
+ "cdr1": 2.544065475463867,
26
+ "cdr2": 0.23917388916015625,
27
+ "cdr3": 1.920016884803772,
28
+ "cdr1_fw_aligned": 8.55514144897461,
29
+ "cdr2_fw_aligned": 9.189364433288574,
30
+ "cdr3_fw_aligned": 4.880233287811279,
31
+ "num_residues": 223,
32
+ "num_cdr_residues": 27
33
+ },
34
+ "light_chain": {
35
+ "chain_id": "L",
36
+ "total": 4.420619487762451,
37
+ "cdr": 0.6951441168785095,
38
+ "framework": 4.064098834991455,
39
+ "cdr_fw_aligned": 7.390453338623047,
40
+ "cdr1": 0.681794285774231,
41
+ "cdr2": 0.347652792930603,
42
+ "cdr3": 0.8368740677833557,
43
+ "cdr1_fw_aligned": 8.424840927124023,
44
+ "cdr2_fw_aligned": 5.797308921813965,
45
+ "cdr3_fw_aligned": 7.13902473449707,
46
+ "num_residues": 213,
47
+ "num_cdr_residues": 27
48
+ },
49
+ "heavy_chain_atom_counts": {
50
+ "num_pred_atoms": 900,
51
+ "num_gt_atoms": 892,
52
+ "num_aligned_atoms": 892
53
+ },
54
+ "light_chain_atom_counts": {
55
+ "num_pred_atoms": 856,
56
+ "num_gt_atoms": 852,
57
+ "num_aligned_atoms": 852
58
+ }
59
+ }
8ty7_H_L_AB_sample_2_rmsd_backbone.json ADDED
@@ -0,0 +1,59 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "entry": "8ty7_H_L_AB_sample_2",
3
+ "success": true,
4
+ "error": null,
5
+ "rmsd": {
6
+ "total": 1.931982398033142,
7
+ "cdr": 2.0495527386665344,
8
+ "framework": 1.5782407522201538,
9
+ "cdr_fw_aligned": 3.741825222969055
10
+ },
11
+ "num_pred_atoms": 1756,
12
+ "num_gt_atoms": 1724,
13
+ "num_aligned_atoms": 1724,
14
+ "alignment_coverage": {
15
+ "pred_coverage": 0.9817767653758542,
16
+ "gt_coverage": 1.0,
17
+ "full_coverage": false
18
+ },
19
+ "heavy_chain": {
20
+ "chain_id": "H",
21
+ "total": 2.098764419555664,
22
+ "cdr": 3.5223476886749268,
23
+ "framework": 1.5059620141983032,
24
+ "cdr_fw_aligned": 4.662001609802246,
25
+ "cdr1": 1.5496705770492554,
26
+ "cdr2": 0.9703012108802795,
27
+ "cdr3": 2.3628933429718018,
28
+ "cdr1_fw_aligned": 4.1893534660339355,
29
+ "cdr2_fw_aligned": 4.84974479675293,
30
+ "cdr3_fw_aligned": 4.7395243644714355,
31
+ "num_residues": 218,
32
+ "num_cdr_residues": 25
33
+ },
34
+ "light_chain": {
35
+ "chain_id": "L",
36
+ "total": 1.7652003765106201,
37
+ "cdr": 0.5767577886581421,
38
+ "framework": 1.6505194902420044,
39
+ "cdr_fw_aligned": 2.8216488361358643,
40
+ "cdr1": 0.2920987010002136,
41
+ "cdr2": 0.9003643989562988,
42
+ "cdr3": 0.29135167598724365,
43
+ "cdr1_fw_aligned": 3.128521203994751,
44
+ "cdr2_fw_aligned": 2.3060381412506104,
45
+ "cdr3_fw_aligned": 2.793531656265259,
46
+ "num_residues": 213,
47
+ "num_cdr_residues": 28
48
+ },
49
+ "heavy_chain_atom_counts": {
50
+ "num_pred_atoms": 900,
51
+ "num_gt_atoms": 872,
52
+ "num_aligned_atoms": 872
53
+ },
54
+ "light_chain_atom_counts": {
55
+ "num_pred_atoms": 856,
56
+ "num_gt_atoms": 852,
57
+ "num_aligned_atoms": 852
58
+ }
59
+ }
8ulj_H_L_AB_sample_0_rmsd.json ADDED
@@ -0,0 +1,59 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "entry": "8ulj_H_L_AB_sample_0",
3
+ "success": true,
4
+ "error": null,
5
+ "rmsd": {
6
+ "total": 2.468906283378601,
7
+ "cdr": 0.6776170134544373,
8
+ "framework": 2.5452537536621094,
9
+ "cdr_fw_aligned": 1.8168585896492004
10
+ },
11
+ "num_pred_atoms": 3398,
12
+ "num_gt_atoms": 3131,
13
+ "num_aligned_atoms": 3046,
14
+ "alignment_coverage": {
15
+ "pred_coverage": 0.8964096527369041,
16
+ "gt_coverage": 0.9728521239220697,
17
+ "full_coverage": false
18
+ },
19
+ "heavy_chain": {
20
+ "chain_id": "H",
21
+ "total": 2.7458853721618652,
22
+ "cdr": 0.8258526921272278,
23
+ "framework": 2.804716110229492,
24
+ "cdr_fw_aligned": 2.334852933883667,
25
+ "cdr1": 0.8110768795013428,
26
+ "cdr2": 0.27828073501586914,
27
+ "cdr3": 0.8216473460197449,
28
+ "cdr1_fw_aligned": 2.453453779220581,
29
+ "cdr2_fw_aligned": 1.888140082359314,
30
+ "cdr3_fw_aligned": 2.462141275405884,
31
+ "num_residues": 217,
32
+ "num_cdr_residues": 25
33
+ },
34
+ "light_chain": {
35
+ "chain_id": "L",
36
+ "total": 2.191927194595337,
37
+ "cdr": 0.5293813347816467,
38
+ "framework": 2.2857913970947266,
39
+ "cdr_fw_aligned": 1.2988642454147339,
40
+ "cdr1": 0.5418491959571838,
41
+ "cdr2": 0.4019972085952759,
42
+ "cdr3": 0.4181578457355499,
43
+ "cdr1_fw_aligned": 1.2638001441955566,
44
+ "cdr2_fw_aligned": 1.187222957611084,
45
+ "cdr3_fw_aligned": 1.4050204753875732,
46
+ "num_residues": 209,
47
+ "num_cdr_residues": 29
48
+ },
49
+ "heavy_chain_atom_counts": {
50
+ "num_pred_atoms": 1796,
51
+ "num_gt_atoms": 1617,
52
+ "num_aligned_atoms": 1580
53
+ },
54
+ "light_chain_atom_counts": {
55
+ "num_pred_atoms": 1602,
56
+ "num_gt_atoms": 1514,
57
+ "num_aligned_atoms": 1466
58
+ }
59
+ }
8ulj_H_L_AB_sample_3_rmsd_backbone.json ADDED
@@ -0,0 +1,59 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "entry": "8ulj_H_L_AB_sample_3",
3
+ "success": true,
4
+ "error": null,
5
+ "rmsd": {
6
+ "total": 1.8286001682281494,
7
+ "cdr": 0.7435211539268494,
8
+ "framework": 1.8707842230796814,
9
+ "cdr_fw_aligned": 1.681588053703308
10
+ },
11
+ "num_pred_atoms": 1824,
12
+ "num_gt_atoms": 1704,
13
+ "num_aligned_atoms": 1704,
14
+ "alignment_coverage": {
15
+ "pred_coverage": 0.9342105263157895,
16
+ "gt_coverage": 1.0,
17
+ "full_coverage": false
18
+ },
19
+ "heavy_chain": {
20
+ "chain_id": "H",
21
+ "total": 2.1268818378448486,
22
+ "cdr": 0.851033627986908,
23
+ "framework": 2.157813787460327,
24
+ "cdr_fw_aligned": 2.120227813720703,
25
+ "cdr1": 0.4733476936817169,
26
+ "cdr2": 0.2045978158712387,
27
+ "cdr3": 0.8887378573417664,
28
+ "cdr1_fw_aligned": 2.2727646827697754,
29
+ "cdr2_fw_aligned": 1.9451820850372314,
30
+ "cdr3_fw_aligned": 2.111945867538452,
31
+ "num_residues": 217,
32
+ "num_cdr_residues": 25
33
+ },
34
+ "light_chain": {
35
+ "chain_id": "L",
36
+ "total": 1.5303184986114502,
37
+ "cdr": 0.6360086798667908,
38
+ "framework": 1.5837546586990356,
39
+ "cdr_fw_aligned": 1.242948293685913,
40
+ "cdr1": 0.7488076090812683,
41
+ "cdr2": 0.31363749504089355,
42
+ "cdr3": 0.37592625617980957,
43
+ "cdr1_fw_aligned": 1.375410556793213,
44
+ "cdr2_fw_aligned": 1.1341561079025269,
45
+ "cdr3_fw_aligned": 1.144428014755249,
46
+ "num_residues": 209,
47
+ "num_cdr_residues": 29
48
+ },
49
+ "heavy_chain_atom_counts": {
50
+ "num_pred_atoms": 968,
51
+ "num_gt_atoms": 868,
52
+ "num_aligned_atoms": 868
53
+ },
54
+ "light_chain_atom_counts": {
55
+ "num_pred_atoms": 856,
56
+ "num_gt_atoms": 836,
57
+ "num_aligned_atoms": 836
58
+ }
59
+ }
8uoa_B__A_sample_4_rmsd.json ADDED
@@ -0,0 +1,39 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "entry": "8uoa_B__A_sample_4",
3
+ "success": true,
4
+ "error": null,
5
+ "rmsd": {
6
+ "total": 1.9928120374679565,
7
+ "cdr": 2.6414847373962402,
8
+ "framework": 1.6324379444122314,
9
+ "cdr_fw_aligned": 3.1370937824249268
10
+ },
11
+ "num_pred_atoms": 1051,
12
+ "num_gt_atoms": 587,
13
+ "num_aligned_atoms": 587,
14
+ "alignment_coverage": {
15
+ "pred_coverage": 0.5585156993339676,
16
+ "gt_coverage": 1.0,
17
+ "full_coverage": false
18
+ },
19
+ "heavy_chain": {
20
+ "chain_id": "B",
21
+ "total": 1.9928120374679565,
22
+ "cdr": 2.6414847373962402,
23
+ "framework": 1.6324379444122314,
24
+ "cdr_fw_aligned": 3.1370937824249268,
25
+ "cdr1": 2.8112478256225586,
26
+ "cdr2": 1.8437496423721313,
27
+ "cdr3": 1.480698823928833,
28
+ "cdr1_fw_aligned": 4.603185176849365,
29
+ "cdr2_fw_aligned": 2.4953861236572266,
30
+ "cdr3_fw_aligned": 2.090369462966919,
31
+ "num_residues": 119,
32
+ "num_cdr_residues": 23
33
+ },
34
+ "heavy_chain_atom_counts": {
35
+ "num_pred_atoms": 1051,
36
+ "num_gt_atoms": 587,
37
+ "num_aligned_atoms": 587
38
+ }
39
+ }
8vdl_H_L_C_sample_1_rmsd_backbone.json ADDED
@@ -0,0 +1,59 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "entry": "8vdl_H_L_C_sample_1",
3
+ "success": true,
4
+ "error": null,
5
+ "rmsd": {
6
+ "total": 8.437386512756348,
7
+ "cdr": 1.6976056098937988,
8
+ "framework": 8.054222345352173,
9
+ "cdr_fw_aligned": 12.587770462036133
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": 8.432037353515625,
22
+ "cdr": 2.5520639419555664,
23
+ "framework": 8.13869571685791,
24
+ "cdr_fw_aligned": 11.896684646606445,
25
+ "cdr1": 0.29448339343070984,
26
+ "cdr2": 0.2454444020986557,
27
+ "cdr3": 2.852280378341675,
28
+ "cdr1_fw_aligned": 14.519744873046875,
29
+ "cdr2_fw_aligned": 12.519144058227539,
30
+ "cdr3_fw_aligned": 10.616944313049316,
31
+ "num_residues": 225,
32
+ "num_cdr_residues": 33
33
+ },
34
+ "light_chain": {
35
+ "chain_id": "L",
36
+ "total": 8.44273567199707,
37
+ "cdr": 0.8431472778320312,
38
+ "framework": 7.9697489738464355,
39
+ "cdr_fw_aligned": 13.27885627746582,
40
+ "cdr1": 0.5616105794906616,
41
+ "cdr2": 0.2117743194103241,
42
+ "cdr3": 0.5160175561904907,
43
+ "cdr1_fw_aligned": 14.821353912353516,
44
+ "cdr2_fw_aligned": 11.20455265045166,
45
+ "cdr3_fw_aligned": 13.159927368164062,
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
+ }
8vk1_F_E_D_sample_0_rmsd.json ADDED
@@ -0,0 +1,59 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "entry": "8vk1_F_E_D_sample_0",
3
+ "success": true,
4
+ "error": null,
5
+ "rmsd": {
6
+ "total": 5.952313184738159,
7
+ "cdr": 1.8980814814567566,
8
+ "framework": 5.702898263931274,
9
+ "cdr_fw_aligned": 8.423087358474731
10
+ },
11
+ "num_pred_atoms": 3260,
12
+ "num_gt_atoms": 3199,
13
+ "num_aligned_atoms": 3131,
14
+ "alignment_coverage": {
15
+ "pred_coverage": 0.9604294478527607,
16
+ "gt_coverage": 0.978743357299156,
17
+ "full_coverage": false
18
+ },
19
+ "heavy_chain": {
20
+ "chain_id": "F",
21
+ "total": 5.457040786743164,
22
+ "cdr": 2.943328857421875,
23
+ "framework": 5.439907550811768,
24
+ "cdr_fw_aligned": 6.161102771759033,
25
+ "cdr1": 0.7848172783851624,
26
+ "cdr2": 0.24817603826522827,
27
+ "cdr3": 2.6530163288116455,
28
+ "cdr1_fw_aligned": 7.963055610656738,
29
+ "cdr2_fw_aligned": 7.545742511749268,
30
+ "cdr3_fw_aligned": 4.199599742889404,
31
+ "num_residues": 226,
32
+ "num_cdr_residues": 27
33
+ },
34
+ "light_chain": {
35
+ "chain_id": "E",
36
+ "total": 6.447585582733154,
37
+ "cdr": 0.8528341054916382,
38
+ "framework": 5.965888977050781,
39
+ "cdr_fw_aligned": 10.68507194519043,
40
+ "cdr1": 0.8847638964653015,
41
+ "cdr2": 0.5268321633338928,
42
+ "cdr3": 0.7016470432281494,
43
+ "cdr1_fw_aligned": 12.208971977233887,
44
+ "cdr2_fw_aligned": 8.483162879943848,
45
+ "cdr3_fw_aligned": 10.134065628051758,
46
+ "num_residues": 210,
47
+ "num_cdr_residues": 27
48
+ },
49
+ "heavy_chain_atom_counts": {
50
+ "num_pred_atoms": 1694,
51
+ "num_gt_atoms": 1641,
52
+ "num_aligned_atoms": 1605
53
+ },
54
+ "light_chain_atom_counts": {
55
+ "num_pred_atoms": 1566,
56
+ "num_gt_atoms": 1558,
57
+ "num_aligned_atoms": 1526
58
+ }
59
+ }
8vqd_C_B_A_sample_2_rmsd_backbone.json ADDED
@@ -0,0 +1,59 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "entry": "8vqd_C_B_A_sample_2",
3
+ "success": true,
4
+ "error": null,
5
+ "rmsd": {
6
+ "total": 1.4260963797569275,
7
+ "cdr": 1.878830373287201,
8
+ "framework": 0.9536878168582916,
9
+ "cdr_fw_aligned": 2.238171637058258
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": 1.4893622398376465,
22
+ "cdr": 2.4378371238708496,
23
+ "framework": 0.5664697289466858,
24
+ "cdr_fw_aligned": 2.989499568939209,
25
+ "cdr1": 3.1128010749816895,
26
+ "cdr2": 0.5282806158065796,
27
+ "cdr3": 1.6056321859359741,
28
+ "cdr1_fw_aligned": 4.152536392211914,
29
+ "cdr2_fw_aligned": 1.1464589834213257,
30
+ "cdr3_fw_aligned": 2.8838512897491455,
31
+ "num_residues": 127,
32
+ "num_cdr_residues": 33
33
+ },
34
+ "light_chain": {
35
+ "chain_id": "B",
36
+ "total": 1.3628305196762085,
37
+ "cdr": 1.3198236227035522,
38
+ "framework": 1.3409059047698975,
39
+ "cdr_fw_aligned": 1.4868437051773071,
40
+ "cdr1": 1.4444677829742432,
41
+ "cdr2": 0.22156405448913574,
42
+ "cdr3": 0.46565043926239014,
43
+ "cdr1_fw_aligned": 2.2157540321350098,
44
+ "cdr2_fw_aligned": 0.33013972640037537,
45
+ "cdr3_fw_aligned": 1.1460076570510864,
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
+ }
8vul_H_L_A_sample_2_rmsd.json ADDED
@@ -0,0 +1,59 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "entry": "8vul_H_L_A_sample_2",
3
+ "success": true,
4
+ "error": null,
5
+ "rmsd": {
6
+ "total": 1.3168174028396606,
7
+ "cdr": 1.4233532547950745,
8
+ "framework": 1.2765147686004639,
9
+ "cdr_fw_aligned": 1.4893754720687866
10
+ },
11
+ "num_pred_atoms": 1671,
12
+ "num_gt_atoms": 1693,
13
+ "num_aligned_atoms": 1615,
14
+ "alignment_coverage": {
15
+ "pred_coverage": 0.9664871334530222,
16
+ "gt_coverage": 0.9539279385705848,
17
+ "full_coverage": false
18
+ },
19
+ "heavy_chain": {
20
+ "chain_id": "H",
21
+ "total": 1.257082462310791,
22
+ "cdr": 1.3956196308135986,
23
+ "framework": 1.2169808149337769,
24
+ "cdr_fw_aligned": 1.4583969116210938,
25
+ "cdr1": 0.7968837022781372,
26
+ "cdr2": 1.1738539934158325,
27
+ "cdr3": 1.5534683465957642,
28
+ "cdr1_fw_aligned": 1.124672293663025,
29
+ "cdr2_fw_aligned": 1.3128939867019653,
30
+ "cdr3_fw_aligned": 1.6976444721221924,
31
+ "num_residues": 119,
32
+ "num_cdr_residues": 24
33
+ },
34
+ "light_chain": {
35
+ "chain_id": "L",
36
+ "total": 1.3765523433685303,
37
+ "cdr": 1.4510868787765503,
38
+ "framework": 1.3360487222671509,
39
+ "cdr_fw_aligned": 1.5203540325164795,
40
+ "cdr1": 0.9810740351676941,
41
+ "cdr2": 0.8192006349563599,
42
+ "cdr3": 1.6127257347106934,
43
+ "cdr1_fw_aligned": 1.2107726335525513,
44
+ "cdr2_fw_aligned": 1.4232752323150635,
45
+ "cdr3_fw_aligned": 1.9120177030563354,
46
+ "num_residues": 109,
47
+ "num_cdr_residues": 29
48
+ },
49
+ "heavy_chain_atom_counts": {
50
+ "num_pred_atoms": 896,
51
+ "num_gt_atoms": 894,
52
+ "num_aligned_atoms": 870
53
+ },
54
+ "light_chain_atom_counts": {
55
+ "num_pred_atoms": 775,
56
+ "num_gt_atoms": 799,
57
+ "num_aligned_atoms": 745
58
+ }
59
+ }
8vuy_H_L_A_sample_2_rmsd.json ADDED
@@ -0,0 +1,59 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "entry": "8vuy_H_L_A_sample_2",
3
+ "success": true,
4
+ "error": null,
5
+ "rmsd": {
6
+ "total": 1.4322636127471924,
7
+ "cdr": 1.5265976190567017,
8
+ "framework": 1.361020028591156,
9
+ "cdr_fw_aligned": 1.7423949241638184
10
+ },
11
+ "num_pred_atoms": 1638,
12
+ "num_gt_atoms": 1553,
13
+ "num_aligned_atoms": 1483,
14
+ "alignment_coverage": {
15
+ "pred_coverage": 0.9053724053724054,
16
+ "gt_coverage": 0.9549259497746297,
17
+ "full_coverage": false
18
+ },
19
+ "heavy_chain": {
20
+ "chain_id": "H",
21
+ "total": 1.5559005737304688,
22
+ "cdr": 1.6834410429000854,
23
+ "framework": 1.4830915927886963,
24
+ "cdr_fw_aligned": 1.941311240196228,
25
+ "cdr1": 0.9161993861198425,
26
+ "cdr2": 0.9827040433883667,
27
+ "cdr3": 1.807731032371521,
28
+ "cdr1_fw_aligned": 1.3739780187606812,
29
+ "cdr2_fw_aligned": 1.1169075965881348,
30
+ "cdr3_fw_aligned": 2.4918370246887207,
31
+ "num_residues": 115,
32
+ "num_cdr_residues": 24
33
+ },
34
+ "light_chain": {
35
+ "chain_id": "L",
36
+ "total": 1.308626651763916,
37
+ "cdr": 1.3697541952133179,
38
+ "framework": 1.2389484643936157,
39
+ "cdr_fw_aligned": 1.5434786081314087,
40
+ "cdr1": 1.1705318689346313,
41
+ "cdr2": 0.8502560257911682,
42
+ "cdr3": 1.032838225364685,
43
+ "cdr1_fw_aligned": 1.4535592794418335,
44
+ "cdr2_fw_aligned": 1.571995735168457,
45
+ "cdr3_fw_aligned": 1.6358022689819336,
46
+ "num_residues": 108,
47
+ "num_cdr_residues": 29
48
+ },
49
+ "heavy_chain_atom_counts": {
50
+ "num_pred_atoms": 870,
51
+ "num_gt_atoms": 829,
52
+ "num_aligned_atoms": 807
53
+ },
54
+ "light_chain_atom_counts": {
55
+ "num_pred_atoms": 768,
56
+ "num_gt_atoms": 724,
57
+ "num_aligned_atoms": 676
58
+ }
59
+ }
8w0v_H_L_C_sample_0_rmsd_backbone.json ADDED
@@ -0,0 +1,59 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "entry": "8w0v_H_L_C_sample_0",
3
+ "success": true,
4
+ "error": null,
5
+ "rmsd": {
6
+ "total": 1.0677669942378998,
7
+ "cdr": 1.4067734777927399,
8
+ "framework": 0.9513282179832458,
9
+ "cdr_fw_aligned": 1.6594363451004028
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": 1.625152826309204,
22
+ "cdr": 2.369805097579956,
23
+ "framework": 1.399204969406128,
24
+ "cdr_fw_aligned": 2.740689516067505,
25
+ "cdr1": 2.963564157485962,
26
+ "cdr2": 0.28484299778938293,
27
+ "cdr3": 0.8336141109466553,
28
+ "cdr1_fw_aligned": 4.485813617706299,
29
+ "cdr2_fw_aligned": 1.3948886394500732,
30
+ "cdr3_fw_aligned": 2.020174264907837,
31
+ "num_residues": 224,
32
+ "num_cdr_residues": 29
33
+ },
34
+ "light_chain": {
35
+ "chain_id": "L",
36
+ "total": 0.5103811621665955,
37
+ "cdr": 0.4437418580055237,
38
+ "framework": 0.5034514665603638,
39
+ "cdr_fw_aligned": 0.5781831741333008,
40
+ "cdr1": 0.3780765235424042,
41
+ "cdr2": 0.14147835969924927,
42
+ "cdr3": 0.35113218426704407,
43
+ "cdr1_fw_aligned": 0.5536442995071411,
44
+ "cdr2_fw_aligned": 0.5524231791496277,
45
+ "cdr3_fw_aligned": 0.6229008436203003,
46
+ "num_residues": 213,
47
+ "num_cdr_residues": 29
48
+ },
49
+ "heavy_chain_atom_counts": {
50
+ "num_pred_atoms": 948,
51
+ "num_gt_atoms": 896,
52
+ "num_aligned_atoms": 896
53
+ },
54
+ "light_chain_atom_counts": {
55
+ "num_pred_atoms": 860,
56
+ "num_gt_atoms": 852,
57
+ "num_aligned_atoms": 852
58
+ }
59
+ }
8w9j_H_L_C_sample_1_rmsd_backbone.json ADDED
@@ -0,0 +1,59 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "entry": "8w9j_H_L_C_sample_1",
3
+ "success": true,
4
+ "error": null,
5
+ "rmsd": {
6
+ "total": 1.429554045200348,
7
+ "cdr": 1.3588926196098328,
8
+ "framework": 1.2044607996940613,
9
+ "cdr_fw_aligned": 2.7687546014785767
10
+ },
11
+ "num_pred_atoms": 1756,
12
+ "num_gt_atoms": 1736,
13
+ "num_aligned_atoms": 1736,
14
+ "alignment_coverage": {
15
+ "pred_coverage": 0.9886104783599089,
16
+ "gt_coverage": 1.0,
17
+ "full_coverage": false
18
+ },
19
+ "heavy_chain": {
20
+ "chain_id": "H",
21
+ "total": 1.4216068983078003,
22
+ "cdr": 1.99856436252594,
23
+ "framework": 1.1165063381195068,
24
+ "cdr_fw_aligned": 3.014268398284912,
25
+ "cdr1": 0.2954360544681549,
26
+ "cdr2": 0.12915723025798798,
27
+ "cdr3": 1.9713001251220703,
28
+ "cdr1_fw_aligned": 1.47697913646698,
29
+ "cdr2_fw_aligned": 1.5900336503982544,
30
+ "cdr3_fw_aligned": 3.978710412979126,
31
+ "num_residues": 218,
32
+ "num_cdr_residues": 26
33
+ },
34
+ "light_chain": {
35
+ "chain_id": "L",
36
+ "total": 1.4375011920928955,
37
+ "cdr": 0.7192208766937256,
38
+ "framework": 1.2924152612686157,
39
+ "cdr_fw_aligned": 2.523240804672241,
40
+ "cdr1": 0.7171638011932373,
41
+ "cdr2": 0.40709611773490906,
42
+ "cdr3": 0.26806533336639404,
43
+ "cdr1_fw_aligned": 3.1499292850494385,
44
+ "cdr2_fw_aligned": 1.6720463037490845,
45
+ "cdr3_fw_aligned": 1.7940747737884521,
46
+ "num_residues": 216,
47
+ "num_cdr_residues": 31
48
+ },
49
+ "heavy_chain_atom_counts": {
50
+ "num_pred_atoms": 892,
51
+ "num_gt_atoms": 872,
52
+ "num_aligned_atoms": 872
53
+ },
54
+ "light_chain_atom_counts": {
55
+ "num_pred_atoms": 864,
56
+ "num_gt_atoms": 864,
57
+ "num_aligned_atoms": 864
58
+ }
59
+ }
8wej_H_L_B_sample_1_rmsd_backbone.json ADDED
@@ -0,0 +1,59 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "entry": "8wej_H_L_B_sample_1",
3
+ "success": true,
4
+ "error": null,
5
+ "rmsd": {
6
+ "total": 0.7281538248062134,
7
+ "cdr": 1.0129947364330292,
8
+ "framework": 0.5704981684684753,
9
+ "cdr_fw_aligned": 1.1515711545944214
10
+ },
11
+ "num_pred_atoms": 1948,
12
+ "num_gt_atoms": 904,
13
+ "num_aligned_atoms": 904,
14
+ "alignment_coverage": {
15
+ "pred_coverage": 0.46406570841889117,
16
+ "gt_coverage": 1.0,
17
+ "full_coverage": false
18
+ },
19
+ "heavy_chain": {
20
+ "chain_id": "H",
21
+ "total": 0.9033066630363464,
22
+ "cdr": 1.5358374118804932,
23
+ "framework": 0.5928477644920349,
24
+ "cdr_fw_aligned": 1.7032737731933594,
25
+ "cdr1": 0.8500638604164124,
26
+ "cdr2": 0.29624414443969727,
27
+ "cdr3": 1.567777395248413,
28
+ "cdr1_fw_aligned": 1.0007234811782837,
29
+ "cdr2_fw_aligned": 0.7255157232284546,
30
+ "cdr3_fw_aligned": 2.3681774139404297,
31
+ "num_residues": 119,
32
+ "num_cdr_residues": 23
33
+ },
34
+ "light_chain": {
35
+ "chain_id": "L",
36
+ "total": 0.5530009865760803,
37
+ "cdr": 0.4901520609855652,
38
+ "framework": 0.5481485724449158,
39
+ "cdr_fw_aligned": 0.5998685359954834,
40
+ "cdr1": 0.5457597970962524,
41
+ "cdr2": 0.3876328766345978,
42
+ "cdr3": 0.37036874890327454,
43
+ "cdr1_fw_aligned": 0.6562387943267822,
44
+ "cdr2_fw_aligned": 0.49818018078804016,
45
+ "cdr3_fw_aligned": 0.6001193523406982,
46
+ "num_residues": 107,
47
+ "num_cdr_residues": 27
48
+ },
49
+ "heavy_chain_atom_counts": {
50
+ "num_pred_atoms": 1004,
51
+ "num_gt_atoms": 476,
52
+ "num_aligned_atoms": 476
53
+ },
54
+ "light_chain_atom_counts": {
55
+ "num_pred_atoms": 944,
56
+ "num_gt_atoms": 428,
57
+ "num_aligned_atoms": 428
58
+ }
59
+ }
8weo_C__B_sample_2_rmsd_backbone.json ADDED
@@ -0,0 +1,39 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "entry": "8weo_C__B_sample_2",
3
+ "success": true,
4
+ "error": null,
5
+ "rmsd": {
6
+ "total": 1.2136914730072021,
7
+ "cdr": 1.118198275566101,
8
+ "framework": 1.1648787260055542,
9
+ "cdr_fw_aligned": 1.5089056491851807
10
+ },
11
+ "num_pred_atoms": 504,
12
+ "num_gt_atoms": 504,
13
+ "num_aligned_atoms": 504,
14
+ "alignment_coverage": {
15
+ "pred_coverage": 1.0,
16
+ "gt_coverage": 1.0,
17
+ "full_coverage": true
18
+ },
19
+ "heavy_chain": {
20
+ "chain_id": "C",
21
+ "total": 1.2136914730072021,
22
+ "cdr": 1.118198275566101,
23
+ "framework": 1.1648787260055542,
24
+ "cdr_fw_aligned": 1.5089056491851807,
25
+ "cdr1": 0.2419658601284027,
26
+ "cdr2": 0.18702992796897888,
27
+ "cdr3": 1.1422864198684692,
28
+ "cdr1_fw_aligned": 0.646891713142395,
29
+ "cdr2_fw_aligned": 1.1063374280929565,
30
+ "cdr3_fw_aligned": 1.9492285251617432,
31
+ "num_residues": 126,
32
+ "num_cdr_residues": 24
33
+ },
34
+ "heavy_chain_atom_counts": {
35
+ "num_pred_atoms": 504,
36
+ "num_gt_atoms": 504,
37
+ "num_aligned_atoms": 504
38
+ }
39
+ }
8wfm_A_a_B_sample_4_rmsd.json ADDED
@@ -0,0 +1,59 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "entry": "8wfm_A_a_B_sample_4",
3
+ "success": true,
4
+ "error": null,
5
+ "rmsd": {
6
+ "total": 1.3755890130996704,
7
+ "cdr": 1.317292869091034,
8
+ "framework": 1.313073754310608,
9
+ "cdr_fw_aligned": 1.722626805305481
10
+ },
11
+ "num_pred_atoms": 3564,
12
+ "num_gt_atoms": 3482,
13
+ "num_aligned_atoms": 3280,
14
+ "alignment_coverage": {
15
+ "pred_coverage": 0.920314253647587,
16
+ "gt_coverage": 0.941987363584147,
17
+ "full_coverage": false
18
+ },
19
+ "heavy_chain": {
20
+ "chain_id": "A",
21
+ "total": 1.3755890130996704,
22
+ "cdr": 1.8979341983795166,
23
+ "framework": 1.214573621749878,
24
+ "cdr_fw_aligned": 2.3448915481567383,
25
+ "cdr1": 1.2439309358596802,
26
+ "cdr2": 1.5545252561569214,
27
+ "cdr3": 2.0315048694610596,
28
+ "cdr1_fw_aligned": 1.364954948425293,
29
+ "cdr2_fw_aligned": 1.968393325805664,
30
+ "cdr3_fw_aligned": 2.6320385932922363,
31
+ "num_residues": 233,
32
+ "num_cdr_residues": 31
33
+ },
34
+ "light_chain": {
35
+ "chain_id": "A",
36
+ "total": 1.3755890130996704,
37
+ "cdr": 0.7366515398025513,
38
+ "framework": 1.411573886871338,
39
+ "cdr_fw_aligned": 1.1003620624542236,
40
+ "cdr1": 0.421004056930542,
41
+ "cdr2": 0.6168580651283264,
42
+ "cdr3": 0.8820245862007141,
43
+ "cdr1_fw_aligned": 0.8524130582809448,
44
+ "cdr2_fw_aligned": 0.8468325734138489,
45
+ "cdr3_fw_aligned": 1.4173791408538818,
46
+ "num_residues": 233,
47
+ "num_cdr_residues": 32
48
+ },
49
+ "heavy_chain_atom_counts": {
50
+ "num_pred_atoms": 1782,
51
+ "num_gt_atoms": 1741,
52
+ "num_aligned_atoms": 1640
53
+ },
54
+ "light_chain_atom_counts": {
55
+ "num_pred_atoms": 1782,
56
+ "num_gt_atoms": 1741,
57
+ "num_aligned_atoms": 1640
58
+ }
59
+ }
8xi6_D_E_A_sample_2_rmsd.json ADDED
@@ -0,0 +1,59 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "entry": "8xi6_D_E_A_sample_2",
3
+ "success": true,
4
+ "error": null,
5
+ "rmsd": {
6
+ "total": 1.426688313484192,
7
+ "cdr": 2.2647883892059326,
8
+ "framework": 0.9641540348529816,
9
+ "cdr_fw_aligned": 2.6070609092712402
10
+ },
11
+ "num_pred_atoms": 3259,
12
+ "num_gt_atoms": 1672,
13
+ "num_aligned_atoms": 1580,
14
+ "alignment_coverage": {
15
+ "pred_coverage": 0.48481129180730287,
16
+ "gt_coverage": 0.9449760765550239,
17
+ "full_coverage": false
18
+ },
19
+ "heavy_chain": {
20
+ "chain_id": "D",
21
+ "total": 1.8004179000854492,
22
+ "cdr": 3.3464481830596924,
23
+ "framework": 1.021221399307251,
24
+ "cdr_fw_aligned": 3.637977123260498,
25
+ "cdr1": 0.8770727515220642,
26
+ "cdr2": 0.36662763357162476,
27
+ "cdr3": 3.996798515319824,
28
+ "cdr1_fw_aligned": 1.0187593698501587,
29
+ "cdr2_fw_aligned": 0.702529788017273,
30
+ "cdr3_fw_aligned": 4.7289042472839355,
31
+ "num_residues": 123,
32
+ "num_cdr_residues": 29
33
+ },
34
+ "light_chain": {
35
+ "chain_id": "E",
36
+ "total": 1.0529587268829346,
37
+ "cdr": 1.1831285953521729,
38
+ "framework": 0.9070866703987122,
39
+ "cdr_fw_aligned": 1.5761446952819824,
40
+ "cdr1": 0.6867113709449768,
41
+ "cdr2": 0.5533022284507751,
42
+ "cdr3": 1.1851544380187988,
43
+ "cdr1_fw_aligned": 0.8828691840171814,
44
+ "cdr2_fw_aligned": 0.6784095764160156,
45
+ "cdr3_fw_aligned": 2.267882823944092,
46
+ "num_residues": 103,
47
+ "num_cdr_residues": 29
48
+ },
49
+ "heavy_chain_atom_counts": {
50
+ "num_pred_atoms": 1688,
51
+ "num_gt_atoms": 923,
52
+ "num_aligned_atoms": 879
53
+ },
54
+ "light_chain_atom_counts": {
55
+ "num_pred_atoms": 1571,
56
+ "num_gt_atoms": 749,
57
+ "num_aligned_atoms": 701
58
+ }
59
+ }
8xk6_H_L_A_sample_2_rmsd_backbone.json ADDED
@@ -0,0 +1,59 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "entry": "8xk6_H_L_A_sample_2",
3
+ "success": true,
4
+ "error": null,
5
+ "rmsd": {
6
+ "total": 0.5612823367118835,
7
+ "cdr": 0.8598138391971588,
8
+ "framework": 0.3391531854867935,
9
+ "cdr_fw_aligned": 1.0537321865558624
10
+ },
11
+ "num_pred_atoms": 1952,
12
+ "num_gt_atoms": 924,
13
+ "num_aligned_atoms": 924,
14
+ "alignment_coverage": {
15
+ "pred_coverage": 0.4733606557377049,
16
+ "gt_coverage": 1.0,
17
+ "full_coverage": false
18
+ },
19
+ "heavy_chain": {
20
+ "chain_id": "H",
21
+ "total": 0.6987141966819763,
22
+ "cdr": 1.2438085079193115,
23
+ "framework": 0.34916001558303833,
24
+ "cdr_fw_aligned": 1.4372355937957764,
25
+ "cdr1": 0.2666189670562744,
26
+ "cdr2": 0.2569693624973297,
27
+ "cdr3": 1.346213936805725,
28
+ "cdr1_fw_aligned": 0.4473559260368347,
29
+ "cdr2_fw_aligned": 0.45668724179267883,
30
+ "cdr3_fw_aligned": 2.0653717517852783,
31
+ "num_residues": 120,
32
+ "num_cdr_residues": 24
33
+ },
34
+ "light_chain": {
35
+ "chain_id": "L",
36
+ "total": 0.42385047674179077,
37
+ "cdr": 0.4758191704750061,
38
+ "framework": 0.3291463553905487,
39
+ "cdr_fw_aligned": 0.6702287793159485,
40
+ "cdr1": 0.4582957327365875,
41
+ "cdr2": 0.3029508888721466,
42
+ "cdr3": 0.2680019736289978,
43
+ "cdr1_fw_aligned": 0.7678579092025757,
44
+ "cdr2_fw_aligned": 0.5600687861442566,
45
+ "cdr3_fw_aligned": 0.5662292838096619,
46
+ "num_residues": 111,
47
+ "num_cdr_residues": 31
48
+ },
49
+ "heavy_chain_atom_counts": {
50
+ "num_pred_atoms": 1004,
51
+ "num_gt_atoms": 480,
52
+ "num_aligned_atoms": 480
53
+ },
54
+ "light_chain_atom_counts": {
55
+ "num_pred_atoms": 948,
56
+ "num_gt_atoms": 444,
57
+ "num_aligned_atoms": 444
58
+ }
59
+ }
8xs3_A_B_C_sample_0_rmsd.json ADDED
@@ -0,0 +1,59 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "entry": "8xs3_A_B_C_sample_0",
3
+ "success": true,
4
+ "error": null,
5
+ "rmsd": {
6
+ "total": 3.539117693901062,
7
+ "cdr": 2.6934054493904114,
8
+ "framework": 3.3218780755996704,
9
+ "cdr_fw_aligned": 5.588448524475098
10
+ },
11
+ "num_pred_atoms": 3318,
12
+ "num_gt_atoms": 3267,
13
+ "num_aligned_atoms": 3177,
14
+ "alignment_coverage": {
15
+ "pred_coverage": 0.9575045207956601,
16
+ "gt_coverage": 0.9724517906336089,
17
+ "full_coverage": false
18
+ },
19
+ "heavy_chain": {
20
+ "chain_id": "A",
21
+ "total": 4.121391296386719,
22
+ "cdr": 4.0557074546813965,
23
+ "framework": 3.8749337196350098,
24
+ "cdr_fw_aligned": 6.29157018661499,
25
+ "cdr1": 1.205888032913208,
26
+ "cdr2": 0.8516955375671387,
27
+ "cdr3": 4.398555755615234,
28
+ "cdr1_fw_aligned": 6.4771904945373535,
29
+ "cdr2_fw_aligned": 6.10114049911499,
30
+ "cdr3_fw_aligned": 6.266359806060791,
31
+ "num_residues": 214,
32
+ "num_cdr_residues": 24
33
+ },
34
+ "light_chain": {
35
+ "chain_id": "B",
36
+ "total": 2.9568440914154053,
37
+ "cdr": 1.3311034440994263,
38
+ "framework": 2.768822431564331,
39
+ "cdr_fw_aligned": 4.885326862335205,
40
+ "cdr1": 1.0490939617156982,
41
+ "cdr2": 0.5743042826652527,
42
+ "cdr3": 1.4167317152023315,
43
+ "cdr1_fw_aligned": 5.020023345947266,
44
+ "cdr2_fw_aligned": 4.230517387390137,
45
+ "cdr3_fw_aligned": 5.084761142730713,
46
+ "num_residues": 218,
47
+ "num_cdr_residues": 34
48
+ },
49
+ "heavy_chain_atom_counts": {
50
+ "num_pred_atoms": 1659,
51
+ "num_gt_atoms": 1587,
52
+ "num_aligned_atoms": 1553
53
+ },
54
+ "light_chain_atom_counts": {
55
+ "num_pred_atoms": 1659,
56
+ "num_gt_atoms": 1680,
57
+ "num_aligned_atoms": 1624
58
+ }
59
+ }
8xse_H_L_A_sample_2_rmsd.json ADDED
@@ -0,0 +1,59 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "entry": "8xse_H_L_A_sample_2",
3
+ "success": true,
4
+ "error": null,
5
+ "rmsd": {
6
+ "total": 3.1179111003875732,
7
+ "cdr": 1.7377012372016907,
8
+ "framework": 3.0074856281280518,
9
+ "cdr_fw_aligned": 4.280242919921875
10
+ },
11
+ "num_pred_atoms": 3260,
12
+ "num_gt_atoms": 3269,
13
+ "num_aligned_atoms": 3192,
14
+ "alignment_coverage": {
15
+ "pred_coverage": 0.9791411042944785,
16
+ "gt_coverage": 0.9764453961456103,
17
+ "full_coverage": false
18
+ },
19
+ "heavy_chain": {
20
+ "chain_id": "H",
21
+ "total": 3.712834119796753,
22
+ "cdr": 2.4573962688446045,
23
+ "framework": 3.6510672569274902,
24
+ "cdr_fw_aligned": 4.424746990203857,
25
+ "cdr1": 0.8797860145568848,
26
+ "cdr2": 0.9077875018119812,
27
+ "cdr3": 2.287572145462036,
28
+ "cdr1_fw_aligned": 6.056253433227539,
29
+ "cdr2_fw_aligned": 5.213968753814697,
30
+ "cdr3_fw_aligned": 3.0261573791503906,
31
+ "num_residues": 223,
32
+ "num_cdr_residues": 27
33
+ },
34
+ "light_chain": {
35
+ "chain_id": "L",
36
+ "total": 2.5229880809783936,
37
+ "cdr": 1.0180062055587769,
38
+ "framework": 2.3639039993286133,
39
+ "cdr_fw_aligned": 4.135738849639893,
40
+ "cdr1": 0.6855220794677734,
41
+ "cdr2": 0.9074260592460632,
42
+ "cdr3": 0.9491349458694458,
43
+ "cdr1_fw_aligned": 4.118101596832275,
44
+ "cdr2_fw_aligned": 3.20072340965271,
45
+ "cdr3_fw_aligned": 4.656332492828369,
46
+ "num_residues": 212,
47
+ "num_cdr_residues": 27
48
+ },
49
+ "heavy_chain_atom_counts": {
50
+ "num_pred_atoms": 1642,
51
+ "num_gt_atoms": 1658,
52
+ "num_aligned_atoms": 1609
53
+ },
54
+ "light_chain_atom_counts": {
55
+ "num_pred_atoms": 1618,
56
+ "num_gt_atoms": 1611,
57
+ "num_aligned_atoms": 1583
58
+ }
59
+ }
8zby_H_D_A_sample_1_rmsd.json ADDED
@@ -0,0 +1,59 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "entry": "8zby_H_D_A_sample_1",
3
+ "success": true,
4
+ "error": null,
5
+ "rmsd": {
6
+ "total": 4.444506406784058,
7
+ "cdr": 2.7562334537506104,
8
+ "framework": 4.234433054924011,
9
+ "cdr_fw_aligned": 6.080655336380005
10
+ },
11
+ "num_pred_atoms": 3306,
12
+ "num_gt_atoms": 3252,
13
+ "num_aligned_atoms": 3138,
14
+ "alignment_coverage": {
15
+ "pred_coverage": 0.9491833030852994,
16
+ "gt_coverage": 0.9649446494464945,
17
+ "full_coverage": false
18
+ },
19
+ "heavy_chain": {
20
+ "chain_id": "H",
21
+ "total": 3.328437328338623,
22
+ "cdr": 4.040236949920654,
23
+ "framework": 3.042567491531372,
24
+ "cdr_fw_aligned": 5.092737674713135,
25
+ "cdr1": 0.975001871585846,
26
+ "cdr2": 1.1737639904022217,
27
+ "cdr3": 4.110666751861572,
28
+ "cdr1_fw_aligned": 3.557342767715454,
29
+ "cdr2_fw_aligned": 3.908665418624878,
30
+ "cdr3_fw_aligned": 5.867523193359375,
31
+ "num_residues": 221,
32
+ "num_cdr_residues": 31
33
+ },
34
+ "light_chain": {
35
+ "chain_id": "D",
36
+ "total": 5.560575485229492,
37
+ "cdr": 1.4722299575805664,
38
+ "framework": 5.42629861831665,
39
+ "cdr_fw_aligned": 7.068572998046875,
40
+ "cdr1": 1.5077767372131348,
41
+ "cdr2": 0.9320837259292603,
42
+ "cdr3": 0.9037668108940125,
43
+ "cdr1_fw_aligned": 7.60112190246582,
44
+ "cdr2_fw_aligned": 7.214347839355469,
45
+ "cdr3_fw_aligned": 6.289456367492676,
46
+ "num_residues": 213,
47
+ "num_cdr_residues": 31
48
+ },
49
+ "heavy_chain_atom_counts": {
50
+ "num_pred_atoms": 1686,
51
+ "num_gt_atoms": 1661,
52
+ "num_aligned_atoms": 1600
53
+ },
54
+ "light_chain_atom_counts": {
55
+ "num_pred_atoms": 1620,
56
+ "num_gt_atoms": 1591,
57
+ "num_aligned_atoms": 1538
58
+ }
59
+ }
8zc0_H_G_A_sample_3_rmsd.json ADDED
@@ -0,0 +1,59 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "entry": "8zc0_H_G_A_sample_3",
3
+ "success": true,
4
+ "error": null,
5
+ "rmsd": {
6
+ "total": 4.260197639465332,
7
+ "cdr": 2.3276332020759583,
8
+ "framework": 4.173580050468445,
9
+ "cdr_fw_aligned": 5.4336254596710205
10
+ },
11
+ "num_pred_atoms": 3306,
12
+ "num_gt_atoms": 3270,
13
+ "num_aligned_atoms": 3156,
14
+ "alignment_coverage": {
15
+ "pred_coverage": 0.9546279491833031,
16
+ "gt_coverage": 0.9651376146788991,
17
+ "full_coverage": false
18
+ },
19
+ "heavy_chain": {
20
+ "chain_id": "H",
21
+ "total": 3.46004056930542,
22
+ "cdr": 3.081291437149048,
23
+ "framework": 3.3084981441497803,
24
+ "cdr_fw_aligned": 5.015433311462402,
25
+ "cdr1": 1.1088296175003052,
26
+ "cdr2": 1.1634942293167114,
27
+ "cdr3": 3.491521120071411,
28
+ "cdr1_fw_aligned": 3.4170889854431152,
29
+ "cdr2_fw_aligned": 2.8962059020996094,
30
+ "cdr3_fw_aligned": 5.970874786376953,
31
+ "num_residues": 221,
32
+ "num_cdr_residues": 31
33
+ },
34
+ "light_chain": {
35
+ "chain_id": "G",
36
+ "total": 5.060354709625244,
37
+ "cdr": 1.5739749670028687,
38
+ "framework": 5.038661956787109,
39
+ "cdr_fw_aligned": 5.851817607879639,
40
+ "cdr1": 1.463069200515747,
41
+ "cdr2": 1.2434916496276855,
42
+ "cdr3": 0.8635343909263611,
43
+ "cdr1_fw_aligned": 6.237165451049805,
44
+ "cdr2_fw_aligned": 6.496237754821777,
45
+ "cdr3_fw_aligned": 4.885249137878418,
46
+ "num_residues": 213,
47
+ "num_cdr_residues": 31
48
+ },
49
+ "heavy_chain_atom_counts": {
50
+ "num_pred_atoms": 1686,
51
+ "num_gt_atoms": 1679,
52
+ "num_aligned_atoms": 1618
53
+ },
54
+ "light_chain_atom_counts": {
55
+ "num_pred_atoms": 1620,
56
+ "num_gt_atoms": 1591,
57
+ "num_aligned_atoms": 1538
58
+ }
59
+ }
8zc0_H_G_A_sample_4_rmsd_backbone.json ADDED
@@ -0,0 +1,59 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "entry": "8zc0_H_G_A_sample_4",
3
+ "success": true,
4
+ "error": null,
5
+ "rmsd": {
6
+ "total": 4.407746434211731,
7
+ "cdr": 1.8534241318702698,
8
+ "framework": 4.259258270263672,
9
+ "cdr_fw_aligned": 5.985549688339233
10
+ },
11
+ "num_pred_atoms": 1812,
12
+ "num_gt_atoms": 1736,
13
+ "num_aligned_atoms": 1736,
14
+ "alignment_coverage": {
15
+ "pred_coverage": 0.9580573951434879,
16
+ "gt_coverage": 1.0,
17
+ "full_coverage": false
18
+ },
19
+ "heavy_chain": {
20
+ "chain_id": "H",
21
+ "total": 5.169364929199219,
22
+ "cdr": 2.242619514465332,
23
+ "framework": 4.903632164001465,
24
+ "cdr_fw_aligned": 7.545339107513428,
25
+ "cdr1": 0.6762028932571411,
26
+ "cdr2": 1.3793553113937378,
27
+ "cdr3": 2.419687271118164,
28
+ "cdr1_fw_aligned": 8.59482192993164,
29
+ "cdr2_fw_aligned": 8.705212593078613,
30
+ "cdr3_fw_aligned": 6.637941360473633,
31
+ "num_residues": 221,
32
+ "num_cdr_residues": 31
33
+ },
34
+ "light_chain": {
35
+ "chain_id": "G",
36
+ "total": 3.646127939224243,
37
+ "cdr": 1.4642287492752075,
38
+ "framework": 3.614884376525879,
39
+ "cdr_fw_aligned": 4.425760269165039,
40
+ "cdr1": 1.3017114400863647,
41
+ "cdr2": 0.8684781789779663,
42
+ "cdr3": 0.685297429561615,
43
+ "cdr1_fw_aligned": 5.3446197509765625,
44
+ "cdr2_fw_aligned": 5.26799201965332,
45
+ "cdr3_fw_aligned": 1.944701910018921,
46
+ "num_residues": 213,
47
+ "num_cdr_residues": 31
48
+ },
49
+ "heavy_chain_atom_counts": {
50
+ "num_pred_atoms": 920,
51
+ "num_gt_atoms": 884,
52
+ "num_aligned_atoms": 884
53
+ },
54
+ "light_chain_atom_counts": {
55
+ "num_pred_atoms": 892,
56
+ "num_gt_atoms": 852,
57
+ "num_aligned_atoms": 852
58
+ }
59
+ }
8zc4_H_G_A_sample_1_rmsd_backbone.json ADDED
@@ -0,0 +1,59 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "entry": "8zc4_H_G_A_sample_1",
3
+ "success": true,
4
+ "error": null,
5
+ "rmsd": {
6
+ "total": 3.737135887145996,
7
+ "cdr": 3.3156763315200806,
8
+ "framework": 3.2809860706329346,
9
+ "cdr_fw_aligned": 5.629390001296997
10
+ },
11
+ "num_pred_atoms": 1812,
12
+ "num_gt_atoms": 1736,
13
+ "num_aligned_atoms": 1736,
14
+ "alignment_coverage": {
15
+ "pred_coverage": 0.9580573951434879,
16
+ "gt_coverage": 1.0,
17
+ "full_coverage": false
18
+ },
19
+ "heavy_chain": {
20
+ "chain_id": "H",
21
+ "total": 3.7223057746887207,
22
+ "cdr": 5.251384258270264,
23
+ "framework": 2.704653024673462,
24
+ "cdr_fw_aligned": 8.031067848205566,
25
+ "cdr1": 0.6963573098182678,
26
+ "cdr2": 1.3711469173431396,
27
+ "cdr3": 3.4038000106811523,
28
+ "cdr1_fw_aligned": 4.478487491607666,
29
+ "cdr2_fw_aligned": 4.301863193511963,
30
+ "cdr3_fw_aligned": 9.854523658752441,
31
+ "num_residues": 221,
32
+ "num_cdr_residues": 31
33
+ },
34
+ "light_chain": {
35
+ "chain_id": "G",
36
+ "total": 3.7519659996032715,
37
+ "cdr": 1.3799684047698975,
38
+ "framework": 3.8573191165924072,
39
+ "cdr_fw_aligned": 3.2277121543884277,
40
+ "cdr1": 1.465421199798584,
41
+ "cdr2": 0.8971830606460571,
42
+ "cdr3": 0.7689240574836731,
43
+ "cdr1_fw_aligned": 3.028836727142334,
44
+ "cdr2_fw_aligned": 4.86920690536499,
45
+ "cdr3_fw_aligned": 1.8522799015045166,
46
+ "num_residues": 213,
47
+ "num_cdr_residues": 31
48
+ },
49
+ "heavy_chain_atom_counts": {
50
+ "num_pred_atoms": 920,
51
+ "num_gt_atoms": 884,
52
+ "num_aligned_atoms": 884
53
+ },
54
+ "light_chain_atom_counts": {
55
+ "num_pred_atoms": 892,
56
+ "num_gt_atoms": 852,
57
+ "num_aligned_atoms": 852
58
+ }
59
+ }
8zer_H__G_sample_4_rmsd_backbone.json ADDED
@@ -0,0 +1,39 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "entry": "8zer_H__G_sample_4",
3
+ "success": true,
4
+ "error": null,
5
+ "rmsd": {
6
+ "total": 2.5096020698547363,
7
+ "cdr": 2.9958622455596924,
8
+ "framework": 0.777588963508606,
9
+ "cdr_fw_aligned": 6.543752193450928
10
+ },
11
+ "num_pred_atoms": 584,
12
+ "num_gt_atoms": 492,
13
+ "num_aligned_atoms": 492,
14
+ "alignment_coverage": {
15
+ "pred_coverage": 0.8424657534246576,
16
+ "gt_coverage": 1.0,
17
+ "full_coverage": false
18
+ },
19
+ "heavy_chain": {
20
+ "chain_id": "H",
21
+ "total": 2.5096020698547363,
22
+ "cdr": 2.9958622455596924,
23
+ "framework": 0.777588963508606,
24
+ "cdr_fw_aligned": 6.543752193450928,
25
+ "cdr1": 2.206516981124878,
26
+ "cdr2": 0.16348609328269958,
27
+ "cdr3": 1.8189631700515747,
28
+ "cdr1_fw_aligned": 5.276020526885986,
29
+ "cdr2_fw_aligned": 0.6278843283653259,
30
+ "cdr3_fw_aligned": 8.197993278503418,
31
+ "num_residues": 123,
32
+ "num_cdr_residues": 25
33
+ },
34
+ "heavy_chain_atom_counts": {
35
+ "num_pred_atoms": 584,
36
+ "num_gt_atoms": 492,
37
+ "num_aligned_atoms": 492
38
+ }
39
+ }
8zhe_H_L_A_sample_0_rmsd_backbone.json ADDED
@@ -0,0 +1,59 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "entry": "8zhe_H_L_A_sample_0",
3
+ "success": true,
4
+ "error": null,
5
+ "rmsd": {
6
+ "total": 4.082489848136902,
7
+ "cdr": 1.3616009950637817,
8
+ "framework": 3.980510115623474,
9
+ "cdr_fw_aligned": 5.192262649536133
10
+ },
11
+ "num_pred_atoms": 1932,
12
+ "num_gt_atoms": 1740,
13
+ "num_aligned_atoms": 1740,
14
+ "alignment_coverage": {
15
+ "pred_coverage": 0.9006211180124224,
16
+ "gt_coverage": 1.0,
17
+ "full_coverage": false
18
+ },
19
+ "heavy_chain": {
20
+ "chain_id": "H",
21
+ "total": 3.5058581829071045,
22
+ "cdr": 1.6007678508758545,
23
+ "framework": 3.3408639430999756,
24
+ "cdr_fw_aligned": 5.062153339385986,
25
+ "cdr1": 0.6582269072532654,
26
+ "cdr2": 0.3578293025493622,
27
+ "cdr3": 1.7034449577331543,
28
+ "cdr1_fw_aligned": 4.906366348266602,
29
+ "cdr2_fw_aligned": 4.2931294441223145,
30
+ "cdr3_fw_aligned": 5.526141166687012,
31
+ "num_residues": 221,
32
+ "num_cdr_residues": 24
33
+ },
34
+ "light_chain": {
35
+ "chain_id": "L",
36
+ "total": 4.659121513366699,
37
+ "cdr": 1.122434139251709,
38
+ "framework": 4.620156288146973,
39
+ "cdr_fw_aligned": 5.322371959686279,
40
+ "cdr1": 0.9015637040138245,
41
+ "cdr2": 0.7341005206108093,
42
+ "cdr3": 0.9136514663696289,
43
+ "cdr1_fw_aligned": 5.790289402008057,
44
+ "cdr2_fw_aligned": 4.9594244956970215,
45
+ "cdr3_fw_aligned": 4.870234966278076,
46
+ "num_residues": 214,
47
+ "num_cdr_residues": 29
48
+ },
49
+ "heavy_chain_atom_counts": {
50
+ "num_pred_atoms": 972,
51
+ "num_gt_atoms": 884,
52
+ "num_aligned_atoms": 884
53
+ },
54
+ "light_chain_atom_counts": {
55
+ "num_pred_atoms": 960,
56
+ "num_gt_atoms": 856,
57
+ "num_aligned_atoms": 856
58
+ }
59
+ }
8zhg_H_L_C_sample_4_rmsd_backbone.json ADDED
@@ -0,0 +1,59 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "entry": "8zhg_H_L_C_sample_4",
3
+ "success": true,
4
+ "error": null,
5
+ "rmsd": {
6
+ "total": 1.2603192925453186,
7
+ "cdr": 1.177778720855713,
8
+ "framework": 1.2371498942375183,
9
+ "cdr_fw_aligned": 1.4121889472007751
10
+ },
11
+ "num_pred_atoms": 1060,
12
+ "num_gt_atoms": 916,
13
+ "num_aligned_atoms": 916,
14
+ "alignment_coverage": {
15
+ "pred_coverage": 0.8641509433962264,
16
+ "gt_coverage": 1.0,
17
+ "full_coverage": false
18
+ },
19
+ "heavy_chain": {
20
+ "chain_id": "H",
21
+ "total": 1.1575348377227783,
22
+ "cdr": 1.1970040798187256,
23
+ "framework": 1.1045347452163696,
24
+ "cdr_fw_aligned": 1.4024807214736938,
25
+ "cdr1": 0.6292778849601746,
26
+ "cdr2": 0.38797760009765625,
27
+ "cdr3": 1.2821320295333862,
28
+ "cdr1_fw_aligned": 1.3187085390090942,
29
+ "cdr2_fw_aligned": 0.48458677530288696,
30
+ "cdr3_fw_aligned": 1.7483839988708496,
31
+ "num_residues": 120,
32
+ "num_cdr_residues": 24
33
+ },
34
+ "light_chain": {
35
+ "chain_id": "L",
36
+ "total": 1.3631037473678589,
37
+ "cdr": 1.1585533618927002,
38
+ "framework": 1.369765043258667,
39
+ "cdr_fw_aligned": 1.4218971729278564,
40
+ "cdr1": 0.8175639510154724,
41
+ "cdr2": 0.7893688082695007,
42
+ "cdr3": 0.82707679271698,
43
+ "cdr1_fw_aligned": 1.0675532817840576,
44
+ "cdr2_fw_aligned": 1.515661597251892,
45
+ "cdr3_fw_aligned": 1.7554688453674316,
46
+ "num_residues": 109,
47
+ "num_cdr_residues": 29
48
+ },
49
+ "heavy_chain_atom_counts": {
50
+ "num_pred_atoms": 556,
51
+ "num_gt_atoms": 480,
52
+ "num_aligned_atoms": 480
53
+ },
54
+ "light_chain_atom_counts": {
55
+ "num_pred_atoms": 504,
56
+ "num_gt_atoms": 436,
57
+ "num_aligned_atoms": 436
58
+ }
59
+ }
8zpb_B__A_sample_2_rmsd_backbone.json ADDED
@@ -0,0 +1,39 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "entry": "8zpb_B__A_sample_2",
3
+ "success": true,
4
+ "error": null,
5
+ "rmsd": {
6
+ "total": 1.98788583278656,
7
+ "cdr": 3.096590518951416,
8
+ "framework": 0.37136831879615784,
9
+ "cdr_fw_aligned": 4.694911956787109
10
+ },
11
+ "num_pred_atoms": 480,
12
+ "num_gt_atoms": 464,
13
+ "num_aligned_atoms": 464,
14
+ "alignment_coverage": {
15
+ "pred_coverage": 0.9666666666666667,
16
+ "gt_coverage": 1.0,
17
+ "full_coverage": false
18
+ },
19
+ "heavy_chain": {
20
+ "chain_id": "B",
21
+ "total": 1.98788583278656,
22
+ "cdr": 3.096590518951416,
23
+ "framework": 0.37136831879615784,
24
+ "cdr_fw_aligned": 4.694911956787109,
25
+ "cdr1": 0.46888086199760437,
26
+ "cdr2": 0.3257690668106079,
27
+ "cdr3": 2.4727792739868164,
28
+ "cdr1_fw_aligned": 0.8394908308982849,
29
+ "cdr2_fw_aligned": 0.6453778743743896,
30
+ "cdr3_fw_aligned": 6.595428466796875,
31
+ "num_residues": 116,
32
+ "num_cdr_residues": 24
33
+ },
34
+ "heavy_chain_atom_counts": {
35
+ "num_pred_atoms": 480,
36
+ "num_gt_atoms": 464,
37
+ "num_aligned_atoms": 464
38
+ }
39
+ }
9bia_E__BD_sample_1_rmsd.json ADDED
@@ -0,0 +1,39 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "entry": "9bia_E__BD_sample_1",
3
+ "success": true,
4
+ "error": null,
5
+ "rmsd": {
6
+ "total": 2.3693225383758545,
7
+ "cdr": 4.369241714477539,
8
+ "framework": 1.1892520189285278,
9
+ "cdr_fw_aligned": 5.110714435577393
10
+ },
11
+ "num_pred_atoms": 1016,
12
+ "num_gt_atoms": 910,
13
+ "num_aligned_atoms": 852,
14
+ "alignment_coverage": {
15
+ "pred_coverage": 0.8385826771653543,
16
+ "gt_coverage": 0.9362637362637363,
17
+ "full_coverage": false
18
+ },
19
+ "heavy_chain": {
20
+ "chain_id": "E",
21
+ "total": 2.3693225383758545,
22
+ "cdr": 4.369241714477539,
23
+ "framework": 1.1892520189285278,
24
+ "cdr_fw_aligned": 5.110714435577393,
25
+ "cdr1": 4.07418155670166,
26
+ "cdr2": 0.4267416000366211,
27
+ "cdr3": 2.337425708770752,
28
+ "cdr1_fw_aligned": 6.586423397064209,
29
+ "cdr2_fw_aligned": 2.101062774658203,
30
+ "cdr3_fw_aligned": 3.9718899726867676,
31
+ "num_residues": 118,
32
+ "num_cdr_residues": 24
33
+ },
34
+ "heavy_chain_atom_counts": {
35
+ "num_pred_atoms": 1016,
36
+ "num_gt_atoms": 910,
37
+ "num_aligned_atoms": 852
38
+ }
39
+ }
9bu8_C_D_AB_sample_2_rmsd_backbone.json ADDED
@@ -0,0 +1,59 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "entry": "9bu8_C_D_AB_sample_2",
3
+ "success": true,
4
+ "error": null,
5
+ "rmsd": {
6
+ "total": 0.9826116263866425,
7
+ "cdr": 1.230656385421753,
8
+ "framework": 0.8405759334564209,
9
+ "cdr_fw_aligned": 1.3850409984588623
10
+ },
11
+ "num_pred_atoms": 912,
12
+ "num_gt_atoms": 912,
13
+ "num_aligned_atoms": 912,
14
+ "alignment_coverage": {
15
+ "pred_coverage": 1.0,
16
+ "gt_coverage": 1.0,
17
+ "full_coverage": true
18
+ },
19
+ "heavy_chain": {
20
+ "chain_id": "C",
21
+ "total": 1.1558849811553955,
22
+ "cdr": 1.7977511882781982,
23
+ "framework": 0.8653640151023865,
24
+ "cdr_fw_aligned": 1.9401432275772095,
25
+ "cdr1": 0.45036473870277405,
26
+ "cdr2": 1.362993597984314,
27
+ "cdr3": 1.7723701000213623,
28
+ "cdr1_fw_aligned": 1.1511152982711792,
29
+ "cdr2_fw_aligned": 2.3832337856292725,
30
+ "cdr3_fw_aligned": 2.0564777851104736,
31
+ "num_residues": 121,
32
+ "num_cdr_residues": 25
33
+ },
34
+ "light_chain": {
35
+ "chain_id": "D",
36
+ "total": 0.8093382716178894,
37
+ "cdr": 0.6635615825653076,
38
+ "framework": 0.8157878518104553,
39
+ "cdr_fw_aligned": 0.8299387693405151,
40
+ "cdr1": 0.6200729608535767,
41
+ "cdr2": 0.3222033381462097,
42
+ "cdr3": 0.5141596794128418,
43
+ "cdr1_fw_aligned": 0.7970439195632935,
44
+ "cdr2_fw_aligned": 0.6998032331466675,
45
+ "cdr3_fw_aligned": 0.9534407258033752,
46
+ "num_residues": 107,
47
+ "num_cdr_residues": 27
48
+ },
49
+ "heavy_chain_atom_counts": {
50
+ "num_pred_atoms": 484,
51
+ "num_gt_atoms": 484,
52
+ "num_aligned_atoms": 484
53
+ },
54
+ "light_chain_atom_counts": {
55
+ "num_pred_atoms": 428,
56
+ "num_gt_atoms": 428,
57
+ "num_aligned_atoms": 428
58
+ }
59
+ }
9fve_B__A_sample_0_rmsd.json ADDED
@@ -0,0 +1,39 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "entry": "9fve_B__A_sample_0",
3
+ "success": true,
4
+ "error": null,
5
+ "rmsd": {
6
+ "total": 1.7261040210723877,
7
+ "cdr": 2.886995315551758,
8
+ "framework": 1.1734730005264282,
9
+ "cdr_fw_aligned": 3.2069787979125977
10
+ },
11
+ "num_pred_atoms": 906,
12
+ "num_gt_atoms": 945,
13
+ "num_aligned_atoms": 895,
14
+ "alignment_coverage": {
15
+ "pred_coverage": 0.9878587196467992,
16
+ "gt_coverage": 0.9470899470899471,
17
+ "full_coverage": false
18
+ },
19
+ "heavy_chain": {
20
+ "chain_id": "B",
21
+ "total": 1.7261040210723877,
22
+ "cdr": 2.886995315551758,
23
+ "framework": 1.1734730005264282,
24
+ "cdr_fw_aligned": 3.2069787979125977,
25
+ "cdr1": 0.7738329768180847,
26
+ "cdr2": 1.1168413162231445,
27
+ "cdr3": 3.706122398376465,
28
+ "cdr1_fw_aligned": 0.7924166917800903,
29
+ "cdr2_fw_aligned": 1.2007604837417603,
30
+ "cdr3_fw_aligned": 4.460630893707275,
31
+ "num_residues": 122,
32
+ "num_cdr_residues": 25
33
+ },
34
+ "heavy_chain_atom_counts": {
35
+ "num_pred_atoms": 906,
36
+ "num_gt_atoms": 945,
37
+ "num_aligned_atoms": 895
38
+ }
39
+ }