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]
1T079820 99% 0.538 0.636 PF00071 C1_S135 - (0)7 7 / - / - -
2T080720 33% 0.561 0.584 PF00248 C3_S132 - (21)8 2 / - / 2 -
3T085120 31% 0.488 0.558 PF03721 C1_S133 - (16)2 - / 1 / 1 -
4T080120 33% 0.529 0.590 PF01041 C1_S141 - (21)6 - / - / 4 -
5T081920 30% 0.504 0.619 PF00155 C1_S119 - (15)3 - / - / 3 -
6T078720 96% 0.268 0.261PF00517 C2_S14 - (0)4 - / - / 2 -
7T085820 26% 0.432 0.468 PF02055 C7_S122 - (11)1 - / - / 1 -
8T082119 38% 0.364 0.471 PF00515 C1_S17 - (0)2 - / - / 1 -
9T08398 26% 0.351 0.430 PF07651 4 - (0)0 - / - / - -
10T077014 33% 0.357 0.385 -11 - (0)0 - / - / - -
11T07737 47% 0.420 0.677 PF00106 6 - (6)0 - / - / - -
12T084516 23% 0.205 0.345 PF00058 7 - (0)0 - / - / - -
13T07597 45% 0.181 0.301 PF00681 4 - (0)0 - / - / - -
14T084714 30% 0.373 0.491 PF14676 3 - (0)0 - / - / - -
15T08030 32% 0.107 0.150PF03947 0 - (0)0 - / - / - -
16T08440 40% 0.267 0.290PF06133 1 - (0)0 - / - / - -
17T085218 23% 0.345 0.321 PF00756 16 - (0)0 - / - / - -
18T08240 19% 0.093 0.281PF05963 0 - (0)0 - / - / - -
19T08083 20% 0.157 0.241PF01494 13 - (4)0 - / - / - -
20T07938 24% 0.207 0.255PF05496 15 - (11)0 - / - / - -
21T08320 32% 0.180 0.361 PF01213 5 - (2)0 - / - / - -
22T07823 20% 0.345 0.308 PF05963 2 - (0)0 - / - / - -
23T07950 18% 0.359 0.271PF08910 1 - (0)0 - / - / - -
24T07748 27% 0.209 0.301 PF00400 1 - (0)0 - / - / - -
25T07650 33% 0.205 0.455 PF00076 2 - (0)0 - / - / - -
26T08550 16% 0.302 0.224PF05963 0 - (0)0 - / - / - -
27T082615 18% 0.169 0.240PF01663 4 - (0)0 - / - / - -
28T076220 40% 0.407 0.438 PF03180 15 - (0)0 - / - / - -
29T08460 30% 0.346 0.485 PF06133 2 - (0)0 - / - / - -
30T08480 21% 0.178 0.205PF04379 10 - (3)0 - / - / - -
31T084320 32% 0.479 0.531 PF01041 48 - (24)0 - / - / - -
32T076815 41% 0.323 0.368 PF01462 4 - (0)0 - / - / - -
33T08002 31% 0.176 0.175PF00011 4 - (0)0 - / - / - -
34T08144 27% 0.132 0.205PF01833 4 - (0)0 - / - / - -
35T082520 99% 0.593 0.632 PF00400 0 - (0)0 - / - / - -
36T083513 19% 0.327 0.415 PF00759 21 - (0)0 - / - / - -
37T082320 30% 0.403 0.437 PF00248 27 - (18)0 - / - / - -
38T08570 37% 0.372 0.313 PF01833 2 - (0)0 - / - / - -
39T076419 35% 0.431 0.434 PF00326 12 - (1)0 - / - / - -
40T07696 37% 0.628 0.702 PF01187 3 - (1)0 - / - / - -
41T08499 27% 0.433 0.556 PF02798 17 - (6)0 - / - / - -
42T07968 29% 0.291 0.324 PF03440 4 - (0)0 - / - / - -
43T08222 37% 0.264 0.241PF05963 2 - (0)0 - / - / - -
44T07844 59% 0.421 0.429 PF03178 0 - (0)0 - / - / - -
45T08370 41% 0.315 0.363 PF00072 1 - (0)0 - / - / - -
46T07770 36% 0.225 0.274PF04650 3 - (0)0 - / - / - -
47T08420 33% 0.205 0.302 PF03852 3 - (1)0 - / - / - -
48T07923 44% 0.462 0.626 PF00226 1 - (0)0 - / - / - -
49T08060 39% 0.219 0.286PF00790 8 - (0)0 - / - / - -
50T07910 29% 0.136 0.262PF13499 2 - (0)0 - / - / - -

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