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]
1T080720 33% 0.561 0.584 PF00248 C3_S132 - (21)8 2 / - / 2 -
2T079820 99% 0.538 0.636 PF00071 C1_S135 - (0)7 7 / - / - -
3T080120 33% 0.529 0.590 PF01041 C1_S141 - (21)6 - / - / 4 -
4T078820 88% 0.309 0.329 PF00517 60 - (5)5 - / - / - -
5T078720 96% 0.268 0.261PF00517 C2_S14 - (0)4 - / - / 2 -
6T081920 30% 0.504 0.619 PF00155 C1_S119 - (15)3 - / - / 3 -
7T085120 31% 0.488 0.558 PF03721 C1_S133 - (16)2 - / 1 / 1 -
8T082119 38% 0.364 0.471 PF00515 C1_S17 - (0)2 - / - / 1 -
9T084020 100% 0.396 0.483 PF01833 8 - (0)1 - / - / - -
10T085820 26% 0.432 0.468 PF02055 C7_S122 - (11)1 - / - / 1 -
11T08200 43% 0.262 0.401 PF05198 2 - (0)0 - / - / - -
12T081320 35% 0.483 0.536 PF03446 23 - (17)0 - / - / - -
13T08222 37% 0.264 0.241PF05963 2 - (0)0 - / - / - -
14T084320 32% 0.479 0.531 PF01041 48 - (24)0 - / - / - -
15T082810 31% 0.207 0.210PF14852 3 - (0)0 - / - / - -
16T08040 25% 0.156 0.368 PF00197 2 - (0)0 - / - / - -
17T07710 38% 0.060 0.062PF02240 0 - (0)0 - / - / - -
18T08090 36% 0.062 0.172PF00268 0 - (0)0 - / - / - -
19T07650 33% 0.205 0.455 PF00076 2 - (0)0 - / - / - -
20T077813 39% 0.363 0.392 PF00515 4 - (0)0 - / - / - -
21T08370 41% 0.315 0.363 PF00072 1 - (0)0 - / - / - -
22T08302 34% 0.173 0.250PF02516 4 - (0)0 - / - / - -
23T07910 29% 0.136 0.262PF13499 2 - (0)0 - / - / - -
24T08500 47% 0.173 0.317 PF00397 1 - (0)0 - / - / - -
25T07968 29% 0.291 0.324 PF03440 4 - (0)0 - / - / - -
26T08570 37% 0.372 0.313 PF01833 2 - (0)0 - / - / - -
27T07823 20% 0.345 0.308 PF05963 2 - (0)0 - / - / - -
28T07974 44% 0.705 0.848 PF00069 2 - (0)0 - / - / - -
29T07630 37% 0.299 0.322 PF02991 0 - (0)0 - / - / - -
30T07597 45% 0.181 0.301 PF00681 4 - (0)0 - / - / - -
31T08550 16% 0.302 0.224PF05963 0 - (0)0 - / - / - -
32T08160 42% 0.789 0.710 PF01806 2 - (0)0 - / - / - -
33T08180 28% 0.353 0.377 PF00400 22 - (1)0 - / - / - -
34T07890 36% 0.067 0.239PF01044 2 - (0)0 - / - / - -
35T085612 27% 0.288 0.485 PF00622 6 - (0)0 - / - / - -
36T08382 24% 0.286 0.453 PF09032 3 - (1)0 - / - / - -
37T07610 38% 0.116 0.282PF00578 1 - (0)0 - / - / - -
38T076614 20% 0.419 0.516 PF02783 22 - (1)0 - / - / - -
39T082520 99% 0.593 0.632 PF00400 0 - (0)0 - / - / - -
40T08144 27% 0.132 0.205PF01833 4 - (0)0 - / - / - -
41T07606 31% 0.302 0.437 PF11631 7 - (0)0 - / - / - -
42T077620 34% 0.399 0.465 PF00657 12 - (2)0 - / - / - -
43T083513 19% 0.327 0.415 PF00759 21 - (0)0 - / - / - -
44T081519 50% 0.460 0.601 PF02136 18 - (2)0 - / - / - -
45T07750 41% -0.022 0.026PF01123 0 - (0)0 - / - / - -
46T08270 20% 0.240 0.342 PF01381 2 - (0)0 - / - / - -
47T08030 32% 0.107 0.150PF03947 0 - (0)0 - / - / - -
48T085416 35% 0.456 0.574 PF00702 13 - (9)0 - / - / - -
49T07923 44% 0.462 0.626 PF00226 1 - (0)0 - / - / - -
50T07844 59% 0.421 0.429 PF03178 0 - (0)0 - / - / - -

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