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]
1T080720 33% 0.561 0.584 PF00248 C3_S132 - (21)8 2 / - / 2 -
2T079820 99% 0.538 0.636 PF00071 C1_S135 - (0)7 7 / - / - -
3T080120 33% 0.529 0.590 PF01041 C1_S141 - (21)6 - / - / 4 -
4T078820 88% 0.309 0.329 PF00517 60 - (5)5 - / - / - -
5T078720 96% 0.268 0.261PF00517 C2_S14 - (0)4 - / - / 2 -
6T081920 30% 0.504 0.619 PF00155 C1_S119 - (15)3 - / - / 3 -
7T085120 31% 0.488 0.558 PF03721 C1_S133 - (16)2 - / 1 / 1 -
8T082119 38% 0.364 0.471 PF00515 C1_S17 - (0)2 - / - / 1 -
9T085820 26% 0.432 0.468 PF02055 C7_S122 - (11)1 - / - / 1 -
10T084020 100% 0.396 0.483 PF01833 8 - (0)1 - / - / - -
11T08060 39% 0.219 0.286PF00790 8 - (0)0 - / - / - -
12T07795 41% 0.681 0.691 PF00505 2 - (0)0 - / - / - -
13T07923 44% 0.462 0.626 PF00226 1 - (0)0 - / - / - -
14T07950 18% 0.359 0.271PF08910 1 - (0)0 - / - / - -
15T07850 20% 0.243 0.341 PF02359 0 - (0)0 - / - / - -
16T082520 99% 0.593 0.632 PF00400 0 - (0)0 - / - / - -
17T08314 26% 0.271 0.324 PF13176 3 - (0)0 - / - / - -
18T08020 31% 0.394 0.328 PF01541 2 - (0)0 - / - / - -
19T07650 33% 0.205 0.455 PF00076 2 - (0)0 - / - / - -
20T077014 33% 0.357 0.385 -11 - (0)0 - / - / - -
21T078614 21% 0.317 0.384 PF01230 7 - (5)0 - / - / - -
22T085612 27% 0.288 0.485 PF00622 6 - (0)0 - / - / - -
23T076614 20% 0.419 0.516 PF02783 22 - (1)0 - / - / - -
24T081519 50% 0.460 0.601 PF02136 18 - (2)0 - / - / - -
25T08180 28% 0.353 0.377 PF00400 22 - (1)0 - / - / - -
26T08302 34% 0.173 0.250PF02516 4 - (0)0 - / - / - -
27T07710 38% 0.060 0.062PF02240 0 - (0)0 - / - / - -
28T081320 35% 0.483 0.536 PF03446 23 - (17)0 - / - / - -
29T08531 38% 0.252 0.367 PF02887 5 - (2)0 - / - / - -
30T08200 43% 0.262 0.401 PF05198 2 - (0)0 - / - / - -
31T08370 41% 0.315 0.363 PF00072 1 - (0)0 - / - / - -
32T078320 32% 0.233 0.331 PF01128 30 - (18)0 - / - / - -
33T08002 31% 0.176 0.175PF00011 4 - (0)0 - / - / - -
34T07910 29% 0.136 0.262PF13499 2 - (0)0 - / - / - -
35T08290 23% 0.362 0.424 PF01491 1 - (0)0 - / - / - -
36T083513 19% 0.327 0.415 PF00759 21 - (0)0 - / - / - -
37T07810 37% 0.196 0.154PF01751 7 - (0)0 - / - / - -
38T07610 38% 0.116 0.282PF00578 1 - (0)0 - / - / - -
39T085218 23% 0.345 0.321 PF00756 16 - (0)0 - / - / - -
40T077210 32% 0.353 0.355 PF00722 21 - (0)0 - / - / - -
41T08160 42% 0.789 0.710 PF01806 2 - (0)0 - / - / - -
42T08499 27% 0.433 0.556 PF02798 17 - (6)0 - / - / - -
43T07844 59% 0.421 0.429 PF03178 0 - (0)0 - / - / - -
44T076220 40% 0.407 0.438 PF03180 15 - (0)0 - / - / - -
45T07938 24% 0.207 0.255PF05496 15 - (11)0 - / - / - -
46T07737 47% 0.420 0.677 PF00106 6 - (6)0 - / - / - -
47T07901 27% 0.181 0.383 PF00356 6 - (3)0 - / - / - -
48T07770 36% 0.225 0.274PF04650 3 - (0)0 - / - / - -
49T08083 20% 0.157 0.241PF01494 13 - (4)0 - / - / - -
50T08480 21% 0.178 0.205PF04379 10 - (3)0 - / - / - -

<< Page / 2 >> - Show