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]
1T07974 44% 0.705 0.848 PF00069 2 - (0)0 - / - / - -
2T08160 42% 0.789 0.710 PF01806 2 - (0)0 - / - / - -
3T07696 37% 0.628 0.702 PF01187 3 - (1)0 - / - / - -
4T07795 41% 0.681 0.691 PF00505 2 - (0)0 - / - / - -
5T07737 47% 0.420 0.677 PF00106 6 - (6)0 - / - / - -
6T079820 99% 0.538 0.636 PF00071 C1_S135 - (0)7 7 / - / - -
7T082520 99% 0.593 0.632 PF00400 0 - (0)0 - / - / - -
8T07923 44% 0.462 0.626 PF00226 1 - (0)0 - / - / - -
9T081920 30% 0.504 0.619 PF00155 C1_S119 - (15)3 - / - / 3 -
10T081519 50% 0.460 0.601 PF02136 18 - (2)0 - / - / - -
11T080120 33% 0.529 0.590 PF01041 C1_S141 - (21)6 - / - / 4 -
12T080720 33% 0.561 0.584 PF00248 C3_S132 - (21)8 2 / - / 2 -
13T085416 35% 0.456 0.574 PF00702 13 - (9)0 - / - / - -
14T085120 31% 0.488 0.558 PF03721 C1_S133 - (16)2 - / 1 / 1 -
15T084120 100% 0.514 0.557 PF00089 15 - (0)0 - / - / - -
16T08499 27% 0.433 0.556 PF02798 17 - (6)0 - / - / - -
17T081320 35% 0.483 0.536 PF03446 23 - (17)0 - / - / - -
18T080513 43% 0.446 0.534 PF00881 61 - (34)0 - / - / - -
19T084320 32% 0.479 0.531 PF01041 48 - (24)0 - / - / - -
20T076614 20% 0.419 0.516 PF02783 22 - (1)0 - / - / - -
21T081720 29% 0.439 0.515 PF00496 41 - (0)0 - / - / - -
22T084714 30% 0.373 0.491 PF14676 3 - (0)0 - / - / - -
23T08460 30% 0.346 0.485 PF06133 2 - (0)0 - / - / - -
24T085612 27% 0.288 0.485 PF00622 6 - (0)0 - / - / - -
25T084020 100% 0.396 0.483 PF01833 8 - (0)1 - / - / - -
26T082119 38% 0.364 0.471 PF00515 C1_S17 - (0)2 - / - / 1 -
27T085820 26% 0.432 0.468 PF02055 C7_S122 - (11)1 - / - / 1 -
28T077620 34% 0.399 0.465 PF00657 12 - (2)0 - / - / - -
29T07650 33% 0.205 0.455 PF00076 2 - (0)0 - / - / - -
30T08382 24% 0.286 0.453 PF09032 3 - (1)0 - / - / - -
31T076220 40% 0.407 0.438 PF03180 15 - (0)0 - / - / - -
32T07606 31% 0.302 0.437 PF11631 7 - (0)0 - / - / - -
33T082320 30% 0.403 0.437 PF00248 27 - (18)0 - / - / - -
34T076419 35% 0.431 0.434 PF00326 12 - (1)0 - / - / - -
35T08398 26% 0.351 0.430 PF07651 4 - (0)0 - / - / - -
36T07844 59% 0.421 0.429 PF03178 0 - (0)0 - / - / - -
37T08290 23% 0.362 0.424 PF01491 1 - (0)0 - / - / - -
38T083513 19% 0.327 0.415 PF00759 21 - (0)0 - / - / - -
39T07807 40% 0.344 0.411 PF00028 3 - (0)0 - / - / - -
40T08200 43% 0.262 0.401 PF05198 2 - (0)0 - / - / - -
41T077813 39% 0.363 0.392 PF00515 4 - (0)0 - / - / - -
42T077014 33% 0.357 0.385 -11 - (0)0 - / - / - -
43T078614 21% 0.317 0.384 PF01230 7 - (5)0 - / - / - -
44T07901 27% 0.181 0.383 PF00356 6 - (3)0 - / - / - -
45T08180 28% 0.353 0.377 PF00400 22 - (1)0 - / - / - -
46T076815 41% 0.323 0.368 PF01462 4 - (0)0 - / - / - -
47T08040 25% 0.156 0.368 PF00197 2 - (0)0 - / - / - -
48T08531 38% 0.252 0.367 PF02887 5 - (2)0 - / - / - -
49T08370 41% 0.315 0.363 PF00072 1 - (0)0 - / - / - -
50T08320 32% 0.180 0.361 PF01213 5 - (2)0 - / - / - -

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