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]
1T084020 100% 0.396 0.483 PF01833 8 - (0)1 - / - / - -
2T084120 100% 0.514 0.557 PF00089 15 - (0)0 - / - / - -
3T079820 99% 0.538 0.636 PF00071 C1_S135 - (0)7 7 / - / - -
4T082520 99% 0.593 0.632 PF00400 0 - (0)0 - / - / - -
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 - / - / - -
17T080513 43% 0.446 0.534 PF00881 61 - (34)0 - / - / - -
18T08200 43% 0.262 0.401 PF05198 2 - (0)0 - / - / - -
19T08160 42% 0.789 0.710 PF01806 2 - (0)0 - / - / - -
20T08370 41% 0.315 0.363 PF00072 1 - (0)0 - / - / - -
21T076815 41% 0.323 0.368 PF01462 4 - (0)0 - / - / - -
22T07795 41% 0.681 0.691 PF00505 2 - (0)0 - / - / - -
23T07750 41% -0.022 0.026PF01123 0 - (0)0 - / - / - -
24T08440 40% 0.267 0.290PF06133 1 - (0)0 - / - / - -
25T076220 40% 0.407 0.438 PF03180 15 - (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 -
30T08531 38% 0.252 0.367 PF02887 5 - (2)0 - / - / - -
31T07710 38% 0.060 0.062PF02240 0 - (0)0 - / - / - -
32T07610 38% 0.116 0.282PF00578 1 - (0)0 - / - / - -
33T08570 37% 0.372 0.313 PF01833 2 - (0)0 - / - / - -
34T07810 37% 0.196 0.154PF01751 7 - (0)0 - / - / - -
35T08222 37% 0.264 0.241PF05963 2 - (0)0 - / - / - -
36T07630 37% 0.299 0.322 PF02991 0 - (0)0 - / - / - -
37T07696 37% 0.628 0.702 PF01187 3 - (1)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 - / - / - -
41T076419 35% 0.431 0.434 PF00326 12 - (1)0 - / - / - -
42T081320 35% 0.483 0.536 PF03446 23 - (17)0 - / - / - -
43T085416 35% 0.456 0.574 PF00702 13 - (9)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 - / - / - -
47T07650 33% 0.205 0.455 PF00076 2 - (0)0 - / - / - -
48T080120 33% 0.529 0.590 PF01041 C1_S141 - (21)6 - / - / 4 -
49T08420 33% 0.205 0.302 PF03852 3 - (1)0 - / - / - -
50T079418 33% 0.140 0.334 PF00795 5 - (0)0 - / - / - -

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