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]
1T077620 34% 0.399 0.465 PF00657 12 - (2)0 - / - / - -
2T078320 32% 0.233 0.331 PF01128 30 - (18)0 - / - / - -
3T078720 96% 0.268 0.261PF00517 C2_S14 - (0)4 - / - / 2 -
4T085120 31% 0.488 0.558 PF03721 C1_S133 - (16)2 - / 1 / 1 -
5T084020 100% 0.396 0.483 PF01833 8 - (0)1 - / - / - -
6T082520 99% 0.593 0.632 PF00400 0 - (0)0 - / - / - -
7T081720 29% 0.439 0.515 PF00496 41 - (0)0 - / - / - -
8T079820 99% 0.538 0.636 PF00071 C1_S135 - (0)7 7 / - / - -
9T082320 30% 0.403 0.437 PF00248 27 - (18)0 - / - / - -
10T085820 26% 0.432 0.468 PF02055 C7_S122 - (11)1 - / - / 1 -
11T084120 100% 0.514 0.557 PF00089 15 - (0)0 - / - / - -
12T081920 30% 0.504 0.619 PF00155 C1_S119 - (15)3 - / - / 3 -
13T078820 88% 0.309 0.329 PF00517 60 - (5)5 - / - / - -
14T076220 40% 0.407 0.438 PF03180 15 - (0)0 - / - / - -
15T084320 32% 0.479 0.531 PF01041 48 - (24)0 - / - / - -
16T080120 33% 0.529 0.590 PF01041 C1_S141 - (21)6 - / - / 4 -
17T080720 33% 0.561 0.584 PF00248 C3_S132 - (21)8 2 / - / 2 -
18T081320 35% 0.483 0.536 PF03446 23 - (17)0 - / - / - -
19T082119 38% 0.364 0.471 PF00515 C1_S17 - (0)2 - / - / 1 -
20T076419 35% 0.431 0.434 PF00326 12 - (1)0 - / - / - -
21T081519 50% 0.460 0.601 PF02136 18 - (2)0 - / - / - -
22T079418 33% 0.140 0.334 PF00795 5 - (0)0 - / - / - -
23T085218 23% 0.345 0.321 PF00756 16 - (0)0 - / - / - -
24T084516 23% 0.205 0.345 PF00058 7 - (0)0 - / - / - -
25T085416 35% 0.456 0.574 PF00702 13 - (9)0 - / - / - -
26T076815 41% 0.323 0.368 PF01462 4 - (0)0 - / - / - -
27T082615 18% 0.169 0.240PF01663 4 - (0)0 - / - / - -
28T077014 33% 0.357 0.385 -11 - (0)0 - / - / - -
29T078614 21% 0.317 0.384 PF01230 7 - (5)0 - / - / - -
30T076614 20% 0.419 0.516 PF02783 22 - (1)0 - / - / - -
31T084714 30% 0.373 0.491 PF14676 3 - (0)0 - / - / - -
32T077813 39% 0.363 0.392 PF00515 4 - (0)0 - / - / - -
33T083513 19% 0.327 0.415 PF00759 21 - (0)0 - / - / - -
34T080513 43% 0.446 0.534 PF00881 61 - (34)0 - / - / - -
35T085612 27% 0.288 0.485 PF00622 6 - (0)0 - / - / - -
36T082810 31% 0.207 0.210PF14852 3 - (0)0 - / - / - -
37T077210 32% 0.353 0.355 PF00722 21 - (0)0 - / - / - -
38T08499 27% 0.433 0.556 PF02798 17 - (6)0 - / - / - -
39T07938 24% 0.207 0.255PF05496 15 - (11)0 - / - / - -
40T07968 29% 0.291 0.324 PF03440 4 - (0)0 - / - / - -
41T08398 26% 0.351 0.430 PF07651 4 - (0)0 - / - / - -
42T07748 27% 0.209 0.301 PF00400 1 - (0)0 - / - / - -
43T07597 45% 0.181 0.301 PF00681 4 - (0)0 - / - / - -
44T07807 40% 0.344 0.411 PF00028 3 - (0)0 - / - / - -
45T07737 47% 0.420 0.677 PF00106 6 - (6)0 - / - / - -
46T07606 31% 0.302 0.437 PF11631 7 - (0)0 - / - / - -
47T07696 37% 0.628 0.702 PF01187 3 - (1)0 - / - / - -
48T07795 41% 0.681 0.691 PF00505 2 - (0)0 - / - / - -
49T07844 59% 0.421 0.429 PF03178 0 - (0)0 - / - / - -
50T08334 45% 0.249 0.331 PF03388 6 - (0)0 - / - / - -

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