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 -
7T082119 38% 0.364 0.471 PF00515 C1_S17 - (0)2 - / - / 1 -
8T085120 31% 0.488 0.558 PF03721 C1_S133 - (16)2 - / 1 / 1 -
9T085820 26% 0.432 0.468 PF02055 C7_S122 - (11)1 - / - / 1 -
10T084020 100% 0.396 0.483 PF01833 8 - (0)1 - / - / - -
11T07670 34% 0.133 0.161PF01776 1 - (0)0 - / - / - -
12T084714 30% 0.373 0.491 PF14676 3 - (0)0 - / - / - -
13T07710 38% 0.060 0.062PF02240 0 - (0)0 - / - / - -
14T079418 33% 0.140 0.334 PF00795 5 - (0)0 - / - / - -
15T08270 20% 0.240 0.342 PF01381 2 - (0)0 - / - / - -
16T08314 26% 0.271 0.324 PF13176 3 - (0)0 - / - / - -
17T07974 44% 0.705 0.848 PF00069 2 - (0)0 - / - / - -
18T076815 41% 0.323 0.368 PF01462 4 - (0)0 - / - / - -
19T07696 37% 0.628 0.702 PF01187 3 - (1)0 - / - / - -
20T08550 16% 0.302 0.224PF05963 0 - (0)0 - / - / - -
21T07650 33% 0.205 0.455 PF00076 2 - (0)0 - / - / - -
22T08180 28% 0.353 0.377 PF00400 22 - (1)0 - / - / - -
23T07597 45% 0.181 0.301 PF00681 4 - (0)0 - / - / - -
24T08240 19% 0.093 0.281PF05963 0 - (0)0 - / - / - -
25T08570 37% 0.372 0.313 PF01833 2 - (0)0 - / - / - -
26T07748 27% 0.209 0.301 PF00400 1 - (0)0 - / - / - -
27T083513 19% 0.327 0.415 PF00759 21 - (0)0 - / - / - -
28T082615 18% 0.169 0.240PF01663 4 - (0)0 - / - / - -
29T08398 26% 0.351 0.430 PF07651 4 - (0)0 - / - / - -
30T084516 23% 0.205 0.345 PF00058 7 - (0)0 - / - / - -
31T07844 59% 0.421 0.429 PF03178 0 - (0)0 - / - / - -
32T08222 37% 0.264 0.241PF05963 2 - (0)0 - / - / - -
33T078614 21% 0.317 0.384 PF01230 7 - (5)0 - / - / - -
34T07807 40% 0.344 0.411 PF00028 3 - (0)0 - / - / - -
35T07890 36% 0.067 0.239PF01044 2 - (0)0 - / - / - -
36T08320 32% 0.180 0.361 PF01213 5 - (2)0 - / - / - -
37T077620 34% 0.399 0.465 PF00657 12 - (2)0 - / - / - -
38T07968 29% 0.291 0.324 PF03440 4 - (0)0 - / - / - -
39T07938 24% 0.207 0.255PF05496 15 - (11)0 - / - / - -
40T080513 43% 0.446 0.534 PF00881 61 - (34)0 - / - / - -
41T07810 37% 0.196 0.154PF01751 7 - (0)0 - / - / - -
42T07950 18% 0.359 0.271PF08910 1 - (0)0 - / - / - -
43T07823 20% 0.345 0.308 PF05963 2 - (0)0 - / - / - -
44T07901 27% 0.181 0.383 PF00356 6 - (3)0 - / - / - -
45T081720 29% 0.439 0.515 PF00496 41 - (0)0 - / - / - -
46T08200 43% 0.262 0.401 PF05198 2 - (0)0 - / - / - -
47T077813 39% 0.363 0.392 PF00515 4 - (0)0 - / - / - -
48T08500 47% 0.173 0.317 PF00397 1 - (0)0 - / - / - -
49T07606 31% 0.302 0.437 PF11631 7 - (0)0 - / - / - -
50T08160 42% 0.789 0.710 PF01806 2 - (0)0 - / - / - -

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