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]
1T077014 33% 0.357 0.385 -11 - (0)0 - / - / - -
2T08002 31% 0.176 0.175PF00011 4 - (0)0 - / - / - -
3T07807 40% 0.344 0.411 PF00028 3 - (0)0 - / - / - -
4T084516 23% 0.205 0.345 PF00058 7 - (0)0 - / - / - -
5T07974 44% 0.705 0.848 PF00069 2 - (0)0 - / - / - -
6T079820 99% 0.538 0.636 PF00071 C1_S135 - (0)7 7 / - / - -
7T08370 41% 0.315 0.363 PF00072 1 - (0)0 - / - / - -
8T07650 33% 0.205 0.455 PF00076 2 - (0)0 - / - / - -
9T084120 100% 0.514 0.557 PF00089 15 - (0)0 - / - / - -
10T07737 47% 0.420 0.677 PF00106 6 - (6)0 - / - / - -
11T081920 30% 0.504 0.619 PF00155 C1_S119 - (15)3 - / - / 3 -
12T08040 25% 0.156 0.368 PF00197 2 - (0)0 - / - / - -
13T07923 44% 0.462 0.626 PF00226 1 - (0)0 - / - / - -
14T08360 53% -0.027 -PF00240 4 - (0)0 - / - / - -
15T082320 30% 0.403 0.437 PF00248 27 - (18)0 - / - / - -
16T080720 33% 0.561 0.584 PF00248 C3_S132 - (21)8 2 / - / 2 -
17T08090 36% 0.062 0.172PF00268 0 - (0)0 - / - / - -
18T076419 35% 0.431 0.434 PF00326 12 - (1)0 - / - / - -
19T07901 27% 0.181 0.383 PF00356 6 - (3)0 - / - / - -
20T08500 47% 0.173 0.317 PF00397 1 - (0)0 - / - / - -
21T07748 27% 0.209 0.301 PF00400 1 - (0)0 - / - / - -
22T082520 99% 0.593 0.632 PF00400 0 - (0)0 - / - / - -
23T08180 28% 0.353 0.377 PF00400 22 - (1)0 - / - / - -
24T081720 29% 0.439 0.515 PF00496 41 - (0)0 - / - / - -
25T07795 41% 0.681 0.691 PF00505 2 - (0)0 - / - / - -
26T077813 39% 0.363 0.392 PF00515 4 - (0)0 - / - / - -
27T082119 38% 0.364 0.471 PF00515 C1_S17 - (0)2 - / - / 1 -
28T078820 88% 0.309 0.329 PF00517 60 - (5)5 - / - / - -
29T078720 96% 0.268 0.261PF00517 C2_S14 - (0)4 - / - / 2 -
30T07610 38% 0.116 0.282PF00578 1 - (0)0 - / - / - -
31T085612 27% 0.288 0.485 PF00622 6 - (0)0 - / - / - -
32T077620 34% 0.399 0.465 PF00657 12 - (2)0 - / - / - -
33T07597 45% 0.181 0.301 PF00681 4 - (0)0 - / - / - -
34T085416 35% 0.456 0.574 PF00702 13 - (9)0 - / - / - -
35T077210 32% 0.353 0.355 PF00722 21 - (0)0 - / - / - -
36T085218 23% 0.345 0.321 PF00756 16 - (0)0 - / - / - -
37T083513 19% 0.327 0.415 PF00759 21 - (0)0 - / - / - -
38T08060 39% 0.219 0.286PF00790 8 - (0)0 - / - / - -
39T079418 33% 0.140 0.334 PF00795 5 - (0)0 - / - / - -
40T080513 43% 0.446 0.534 PF00881 61 - (34)0 - / - / - -
41T080120 33% 0.529 0.590 PF01041 C1_S141 - (21)6 - / - / 4 -
42T084320 32% 0.479 0.531 PF01041 48 - (24)0 - / - / - -
43T07890 36% 0.067 0.239PF01044 2 - (0)0 - / - / - -
44T07750 41% -0.022 0.026PF01123 0 - (0)0 - / - / - -
45T078320 32% 0.233 0.331 PF01128 30 - (18)0 - / - / - -
46T07696 37% 0.628 0.702 PF01187 3 - (1)0 - / - / - -
47T08320 32% 0.180 0.361 PF01213 5 - (2)0 - / - / - -
48T078614 21% 0.317 0.384 PF01230 7 - (5)0 - / - / - -
49T08270 20% 0.240 0.342 PF01381 2 - (0)0 - / - / - -
50T076815 41% 0.323 0.368 PF01462 4 - (0)0 - / - / - -

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