Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
CASP11 (Apr 2014)

Download : Data.csv | 3D Models


Tab legend :
    Full name of ligand selected in the comparative docking column:

    General color information : Quality: [ Good | Correct | Uncertain ]
QueryStructural Alignment (SA)3D Modeling AnnotationLigands from PDB templatesPredicted Complexes - pKd:[ ‹nMol | ‹μMol | ‹mMol ]




 Query Sequence
Filter: 		Significants
SA found		 Seq Ident. 3D Core
(QMean Score)		 Modeller
(QMean Score)		 Classification code

 Binding Site Ligands Found
(Procognate)		 Profile Complexes by comparative docking
(ligands from PDB templates)

 Targets
for screening


Sort by entries

 [Nb of SA]
 [Best Ident]
 [Best Score]
 [Best Score]
 Main Code
 [Name]
 [Number]
 [Number]
 Distribution of CDocking pKd
 [Number]
1T08160 42% 0.789 0.710 PF01806 2 - (0)0 - / - / - -
2T07974 44% 0.705 0.848 PF00069 2 - (0)0 - / - / - -
3T07795 41% 0.681 0.691 PF00505 2 - (0)0 - / - / - -
4T07696 37% 0.628 0.702 PF01187 3 - (1)0 - / - / - -
5T082520 99% 0.593 0.632 PF00400 0 - (0)0 - / - / - -
6T080720 33% 0.561 0.584 PF00248 C3_S132 - (21)8 2 / - / 2 -
7T079820 99% 0.538 0.636 PF00071 C1_S135 - (0)7 7 / - / - -
8T080120 33% 0.529 0.590 PF01041 C1_S141 - (21)6 - / - / 4 -
9T084120 100% 0.514 0.557 PF00089 15 - (0)0 - / - / - -
10T081920 30% 0.504 0.619 PF00155 C1_S119 - (15)3 - / - / 3 -
11T085120 31% 0.488 0.558 PF03721 C1_S133 - (16)2 - / 1 / 1 -
12T081320 35% 0.483 0.536 PF03446 23 - (17)0 - / - / - -
13T084320 32% 0.479 0.531 PF01041 48 - (24)0 - / - / - -
14T07923 44% 0.462 0.626 PF00226 1 - (0)0 - / - / - -
15T081519 50% 0.460 0.601 PF02136 18 - (2)0 - / - / - -
16T085416 35% 0.456 0.574 PF00702 13 - (9)0 - / - / - -
17T080513 43% 0.446 0.534 PF00881 61 - (34)0 - / - / - -
18T081720 29% 0.439 0.515 PF00496 41 - (0)0 - / - / - -
19T08499 27% 0.433 0.556 PF02798 17 - (6)0 - / - / - -
20T085820 26% 0.432 0.468 PF02055 C7_S122 - (11)1 - / - / 1 -
21T076419 35% 0.431 0.434 PF00326 12 - (1)0 - / - / - -
22T07844 59% 0.421 0.429 PF03178 0 - (0)0 - / - / - -
23T07737 47% 0.420 0.677 PF00106 6 - (6)0 - / - / - -
24T076614 20% 0.419 0.516 PF02783 22 - (1)0 - / - / - -
25T076220 40% 0.407 0.438 PF03180 15 - (0)0 - / - / - -
26T082320 30% 0.403 0.437 PF00248 27 - (18)0 - / - / - -
27T077620 34% 0.399 0.465 PF00657 12 - (2)0 - / - / - -
28T084020 100% 0.396 0.483 PF01833 8 - (0)1 - / - / - -
29T08020 31% 0.394 0.328 PF01541 2 - (0)0 - / - / - -
30T084714 30% 0.373 0.491 PF14676 3 - (0)0 - / - / - -
31T08570 37% 0.372 0.313 PF01833 2 - (0)0 - / - / - -
32T082119 38% 0.364 0.471 PF00515 C1_S17 - (0)2 - / - / 1 -
33T077813 39% 0.363 0.392 PF00515 4 - (0)0 - / - / - -
34T08290 23% 0.362 0.424 PF01491 1 - (0)0 - / - / - -
35T07950 18% 0.359 0.271PF08910 1 - (0)0 - / - / - -
36T077014 33% 0.357 0.385 -11 - (0)0 - / - / - -
37T077210 32% 0.353 0.355 PF00722 21 - (0)0 - / - / - -
38T08180 28% 0.353 0.377 PF00400 22 - (1)0 - / - / - -
39T08398 26% 0.351 0.430 PF07651 4 - (0)0 - / - / - -
40T08460 30% 0.346 0.485 PF06133 2 - (0)0 - / - / - -
41T07823 20% 0.345 0.308 PF05963 2 - (0)0 - / - / - -
42T085218 23% 0.345 0.321 PF00756 16 - (0)0 - / - / - -
43T07807 40% 0.344 0.411 PF00028 3 - (0)0 - / - / - -
44T083513 19% 0.327 0.415 PF00759 21 - (0)0 - / - / - -
45T076815 41% 0.323 0.368 PF01462 4 - (0)0 - / - / - -
46T078614 21% 0.317 0.384 PF01230 7 - (5)0 - / - / - -
47T08370 41% 0.315 0.363 PF00072 1 - (0)0 - / - / - -
48T078820 88% 0.309 0.329 PF00517 60 - (5)5 - / - / - -
49T07606 31% 0.302 0.437 PF11631 7 - (0)0 - / - / - -
50T08550 16% 0.302 0.224PF05963 0 - (0)0 - / - / - -

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