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]
1T084120 100% 0.514 0.557 PF00089 15 - (0)0 - / - / - -
2T084020 100% 0.396 0.483 PF01833 8 - (0)1 - / - / - -
3T082520 99% 0.593 0.632 PF00400 0 - (0)0 - / - / - -
4T079820 99% 0.538 0.636 PF00071 C1_S135 - (0)7 7 / - / - -
5T078720 96% 0.268 0.261PF00517 C2_S14 - (0)4 - / - / 2 -
6T078820 88% 0.309 0.329 PF00517 60 - (5)5 - / - / - -
7T07993 64% 0.150 0.273PF01842 4 - (0)0 - / - / - -
8T07844 59% 0.421 0.429 PF03178 0 - (0)0 - / - / - -
9T08360 53% -0.027 -PF00240 4 - (0)0 - / - / - -
10T081519 50% 0.460 0.601 PF02136 18 - (2)0 - / - / - -
11T08500 47% 0.173 0.317 PF00397 1 - (0)0 - / - / - -
12T07737 47% 0.420 0.677 PF00106 6 - (6)0 - / - / - -
13T08334 45% 0.249 0.331 PF03388 6 - (0)0 - / - / - -
14T07597 45% 0.181 0.301 PF00681 4 - (0)0 - / - / - -
15T07923 44% 0.462 0.626 PF00226 1 - (0)0 - / - / - -
16T07974 44% 0.705 0.848 PF00069 2 - (0)0 - / - / - -
17T08200 43% 0.262 0.401 PF05198 2 - (0)0 - / - / - -
18T080513 43% 0.446 0.534 PF00881 61 - (34)0 - / - / - -
19T08160 42% 0.789 0.710 PF01806 2 - (0)0 - / - / - -
20T076815 41% 0.323 0.368 PF01462 4 - (0)0 - / - / - -
21T08370 41% 0.315 0.363 PF00072 1 - (0)0 - / - / - -
22T07750 41% -0.022 0.026PF01123 0 - (0)0 - / - / - -
23T07795 41% 0.681 0.691 PF00505 2 - (0)0 - / - / - -
24T076220 40% 0.407 0.438 PF03180 15 - (0)0 - / - / - -
25T08440 40% 0.267 0.290PF06133 1 - (0)0 - / - / - -
26T07807 40% 0.344 0.411 PF00028 3 - (0)0 - / - / - -
27T077813 39% 0.363 0.392 PF00515 4 - (0)0 - / - / - -
28T08060 39% 0.219 0.286PF00790 8 - (0)0 - / - / - -
29T082119 38% 0.364 0.471 PF00515 C1_S17 - (0)2 - / - / 1 -
30T07610 38% 0.116 0.282PF00578 1 - (0)0 - / - / - -
31T08531 38% 0.252 0.367 PF02887 5 - (2)0 - / - / - -
32T07710 38% 0.060 0.062PF02240 0 - (0)0 - / - / - -
33T08570 37% 0.372 0.313 PF01833 2 - (0)0 - / - / - -
34T07630 37% 0.299 0.322 PF02991 0 - (0)0 - / - / - -
35T07696 37% 0.628 0.702 PF01187 3 - (1)0 - / - / - -
36T07810 37% 0.196 0.154PF01751 7 - (0)0 - / - / - -
37T08222 37% 0.264 0.241PF05963 2 - (0)0 - / - / - -
38T08090 36% 0.062 0.172PF00268 0 - (0)0 - / - / - -
39T07770 36% 0.225 0.274PF04650 3 - (0)0 - / - / - -
40T07890 36% 0.067 0.239PF01044 2 - (0)0 - / - / - -
41T081320 35% 0.483 0.536 PF03446 23 - (17)0 - / - / - -
42T085416 35% 0.456 0.574 PF00702 13 - (9)0 - / - / - -
43T076419 35% 0.431 0.434 PF00326 12 - (1)0 - / - / - -
44T08302 34% 0.173 0.250PF02516 4 - (0)0 - / - / - -
45T077620 34% 0.399 0.465 PF00657 12 - (2)0 - / - / - -
46T07670 34% 0.133 0.161PF01776 1 - (0)0 - / - / - -
47T080720 33% 0.561 0.584 PF00248 C3_S132 - (21)8 2 / - / 2 -
48T077014 33% 0.357 0.385 -11 - (0)0 - / - / - -
49T079418 33% 0.140 0.334 PF00795 5 - (0)0 - / - / - -
50T07650 33% 0.205 0.455 PF00076 2 - (0)0 - / - / - -

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