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]
1T080513 43% 0.446 0.534 PF00881 61 - (34)0 - / - / - -
2T078820 88% 0.309 0.329 PF00517 60 - (5)5 - / - / - -
3T084320 32% 0.479 0.531 PF01041 48 - (24)0 - / - / - -
4T080120 33% 0.529 0.590 PF01041 C1_S141 - (21)6 - / - / 4 -
5T081720 29% 0.439 0.515 PF00496 41 - (0)0 - / - / - -
6T079820 99% 0.538 0.636 PF00071 C1_S135 - (0)7 7 / - / - -
7T085120 31% 0.488 0.558 PF03721 C1_S133 - (16)2 - / 1 / 1 -
8T080720 33% 0.561 0.584 PF00248 C3_S132 - (21)8 2 / - / 2 -
9T078320 32% 0.233 0.331 PF01128 30 - (18)0 - / - / - -
10T082320 30% 0.403 0.437 PF00248 27 - (18)0 - / - / - -
11T081320 35% 0.483 0.536 PF03446 23 - (17)0 - / - / - -
12T085820 26% 0.432 0.468 PF02055 C7_S122 - (11)1 - / - / 1 -
13T076614 20% 0.419 0.516 PF02783 22 - (1)0 - / - / - -
14T08180 28% 0.353 0.377 PF00400 22 - (1)0 - / - / - -
15T083513 19% 0.327 0.415 PF00759 21 - (0)0 - / - / - -
16T077210 32% 0.353 0.355 PF00722 21 - (0)0 - / - / - -
17T081920 30% 0.504 0.619 PF00155 C1_S119 - (15)3 - / - / 3 -
18T081519 50% 0.460 0.601 PF02136 18 - (2)0 - / - / - -
19T08499 27% 0.433 0.556 PF02798 17 - (6)0 - / - / - -
20T085218 23% 0.345 0.321 PF00756 16 - (0)0 - / - / - -
21T084120 100% 0.514 0.557 PF00089 15 - (0)0 - / - / - -
22T07938 24% 0.207 0.255PF05496 15 - (11)0 - / - / - -
23T076220 40% 0.407 0.438 PF03180 15 - (0)0 - / - / - -
24T08083 20% 0.157 0.241PF01494 13 - (4)0 - / - / - -
25T085416 35% 0.456 0.574 PF00702 13 - (9)0 - / - / - -
26T076419 35% 0.431 0.434 PF00326 12 - (1)0 - / - / - -
27T077620 34% 0.399 0.465 PF00657 12 - (2)0 - / - / - -
28T077014 33% 0.357 0.385 -11 - (0)0 - / - / - -
29T08480 21% 0.178 0.205PF04379 10 - (3)0 - / - / - -
30T084020 100% 0.396 0.483 PF01833 8 - (0)1 - / - / - -
31T08060 39% 0.219 0.286PF00790 8 - (0)0 - / - / - -
32T078614 21% 0.317 0.384 PF01230 7 - (5)0 - / - / - -
33T082119 38% 0.364 0.471 PF00515 C1_S17 - (0)2 - / - / 1 -
34T084516 23% 0.205 0.345 PF00058 7 - (0)0 - / - / - -
35T07606 31% 0.302 0.437 PF11631 7 - (0)0 - / - / - -
36T07810 37% 0.196 0.154PF01751 7 - (0)0 - / - / - -
37T085612 27% 0.288 0.485 PF00622 6 - (0)0 - / - / - -
38T07901 27% 0.181 0.383 PF00356 6 - (3)0 - / - / - -
39T08334 45% 0.249 0.331 PF03388 6 - (0)0 - / - / - -
40T07737 47% 0.420 0.677 PF00106 6 - (6)0 - / - / - -
41T079418 33% 0.140 0.334 PF00795 5 - (0)0 - / - / - -
42T08531 38% 0.252 0.367 PF02887 5 - (2)0 - / - / - -
43T08320 32% 0.180 0.361 PF01213 5 - (2)0 - / - / - -
44T077813 39% 0.363 0.392 PF00515 4 - (0)0 - / - / - -
45T08398 26% 0.351 0.430 PF07651 4 - (0)0 - / - / - -
46T08144 27% 0.132 0.205PF01833 4 - (0)0 - / - / - -
47T08302 34% 0.173 0.250PF02516 4 - (0)0 - / - / - -
48T07597 45% 0.181 0.301 PF00681 4 - (0)0 - / - / - -
49T078720 96% 0.268 0.261PF00517 C2_S14 - (0)4 - / - / 2 -
50T07993 64% 0.150 0.273PF01842 4 - (0)0 - / - / - -

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