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 -
7T082119 38% 0.364 0.471 PF00515 C1_S17 - (0)2 - / - / 1 -
8T085820 26% 0.432 0.468 PF02055 C7_S122 - (11)1 - / - / 1 -
9T085612 27% 0.288 0.485 PF00622 6 - (0)0 - / - / - -
10T081320 35% 0.483 0.536 PF03446 23 - (17)0 - / - / - -
11T085416 35% 0.456 0.574 PF00702 13 - (9)0 - / - / - -
12T077813 39% 0.363 0.392 PF00515 4 - (0)0 - / - / - -
13T084714 30% 0.373 0.491 PF14676 3 - (0)0 - / - / - -
14T078320 32% 0.233 0.331 PF01128 30 - (18)0 - / - / - -
15T08290 23% 0.362 0.424 PF01491 1 - (0)0 - / - / - -
16T08340 27% 0.167 0.250PF07654 1 - (0)0 - / - / - -
17T08200 43% 0.262 0.401 PF05198 2 - (0)0 - / - / - -
18T08314 26% 0.271 0.324 PF13176 3 - (0)0 - / - / - -
19T076815 41% 0.323 0.368 PF01462 4 - (0)0 - / - / - -
20T07910 29% 0.136 0.262PF13499 2 - (0)0 - / - / - -
21T08382 24% 0.286 0.453 PF09032 3 - (1)0 - / - / - -
22T07710 38% 0.060 0.062PF02240 0 - (0)0 - / - / - -
23T07844 59% 0.421 0.429 PF03178 0 - (0)0 - / - / - -
24T07770 36% 0.225 0.274PF04650 3 - (0)0 - / - / - -
25T08500 47% 0.173 0.317 PF00397 1 - (0)0 - / - / - -
26T084020 100% 0.396 0.483 PF01833 8 - (0)1 - / - / - -
27T07823 20% 0.345 0.308 PF05963 2 - (0)0 - / - / - -
28T07890 36% 0.067 0.239PF01044 2 - (0)0 - / - / - -
29T07950 18% 0.359 0.271PF08910 1 - (0)0 - / - / - -
30T07968 29% 0.291 0.324 PF03440 4 - (0)0 - / - / - -
31T081720 29% 0.439 0.515 PF00496 41 - (0)0 - / - / - -
32T07901 27% 0.181 0.383 PF00356 6 - (3)0 - / - / - -
33T07993 64% 0.150 0.273PF01842 4 - (0)0 - / - / - -
34T08002 31% 0.176 0.175PF00011 4 - (0)0 - / - / - -
35T08570 37% 0.372 0.313 PF01833 2 - (0)0 - / - / - -
36T08180 28% 0.353 0.377 PF00400 22 - (1)0 - / - / - -
37T08060 39% 0.219 0.286PF00790 8 - (0)0 - / - / - -
38T08460 30% 0.346 0.485 PF06133 2 - (0)0 - / - / - -
39T07795 41% 0.681 0.691 PF00505 2 - (0)0 - / - / - -
40T085218 23% 0.345 0.321 PF00756 16 - (0)0 - / - / - -
41T07810 37% 0.196 0.154PF01751 7 - (0)0 - / - / - -
42T08030 32% 0.107 0.150PF03947 0 - (0)0 - / - / - -
43T079418 33% 0.140 0.334 PF00795 5 - (0)0 - / - / - -
44T07650 33% 0.205 0.455 PF00076 2 - (0)0 - / - / - -
45T08480 21% 0.178 0.205PF04379 10 - (3)0 - / - / - -
46T077014 33% 0.357 0.385 -11 - (0)0 - / - / - -
47T07807 40% 0.344 0.411 PF00028 3 - (0)0 - / - / - -
48T08531 38% 0.252 0.367 PF02887 5 - (2)0 - / - / - -
49T08302 34% 0.173 0.250PF02516 4 - (0)0 - / - / - -
50T07748 27% 0.209 0.301 PF00400 1 - (0)0 - / - / - -

<< Page / 2 >> - Show