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]
1T07597 45% 0.181 0.301 PF00681 4 - (0)0 - / - / - -
2T07606 31% 0.302 0.437 PF11631 7 - (0)0 - / - / - -
3T07610 38% 0.116 0.282PF00578 1 - (0)0 - / - / - -
4T076220 40% 0.407 0.438 PF03180 15 - (0)0 - / - / - -
5T07630 37% 0.299 0.322 PF02991 0 - (0)0 - / - / - -
6T076419 35% 0.431 0.434 PF00326 12 - (1)0 - / - / - -
7T07650 33% 0.205 0.455 PF00076 2 - (0)0 - / - / - -
8T076614 20% 0.419 0.516 PF02783 22 - (1)0 - / - / - -
9T07670 34% 0.133 0.161PF01776 1 - (0)0 - / - / - -
10T076815 41% 0.323 0.368 PF01462 4 - (0)0 - / - / - -
11T07696 37% 0.628 0.702 PF01187 3 - (1)0 - / - / - -
12T077014 33% 0.357 0.385 -11 - (0)0 - / - / - -
13T07710 38% 0.060 0.062PF02240 0 - (0)0 - / - / - -
14T077210 32% 0.353 0.355 PF00722 21 - (0)0 - / - / - -
15T07737 47% 0.420 0.677 PF00106 6 - (6)0 - / - / - -
16T07748 27% 0.209 0.301 PF00400 1 - (0)0 - / - / - -
17T07750 41% -0.022 0.026PF01123 0 - (0)0 - / - / - -
18T077620 34% 0.399 0.465 PF00657 12 - (2)0 - / - / - -
19T07770 36% 0.225 0.274PF04650 3 - (0)0 - / - / - -
20T077813 39% 0.363 0.392 PF00515 4 - (0)0 - / - / - -
21T07795 41% 0.681 0.691 PF00505 2 - (0)0 - / - / - -
22T07807 40% 0.344 0.411 PF00028 3 - (0)0 - / - / - -
23T07810 37% 0.196 0.154PF01751 7 - (0)0 - / - / - -
24T07823 20% 0.345 0.308 PF05963 2 - (0)0 - / - / - -
25T078320 32% 0.233 0.331 PF01128 30 - (18)0 - / - / - -
26T07844 59% 0.421 0.429 PF03178 0 - (0)0 - / - / - -
27T07850 20% 0.243 0.341 PF02359 0 - (0)0 - / - / - -
28T078614 21% 0.317 0.384 PF01230 7 - (5)0 - / - / - -
29T078720 96% 0.268 0.261PF00517 C2_S14 - (0)4 - / - / 2 -
30T078820 88% 0.309 0.329 PF00517 60 - (5)5 - / - / - -
31T07890 36% 0.067 0.239PF01044 2 - (0)0 - / - / - -
32T07901 27% 0.181 0.383 PF00356 6 - (3)0 - / - / - -
33T07910 29% 0.136 0.262PF13499 2 - (0)0 - / - / - -
34T07923 44% 0.462 0.626 PF00226 1 - (0)0 - / - / - -
35T07938 24% 0.207 0.255PF05496 15 - (11)0 - / - / - -
36T079418 33% 0.140 0.334 PF00795 5 - (0)0 - / - / - -
37T07950 18% 0.359 0.271PF08910 1 - (0)0 - / - / - -
38T07968 29% 0.291 0.324 PF03440 4 - (0)0 - / - / - -
39T07974 44% 0.705 0.848 PF00069 2 - (0)0 - / - / - -
40T079820 99% 0.538 0.636 PF00071 C1_S135 - (0)7 7 / - / - -
41T07993 64% 0.150 0.273PF01842 4 - (0)0 - / - / - -
42T08002 31% 0.176 0.175PF00011 4 - (0)0 - / - / - -
43T080120 33% 0.529 0.590 PF01041 C1_S141 - (21)6 - / - / 4 -
44T08020 31% 0.394 0.328 PF01541 2 - (0)0 - / - / - -
45T08030 32% 0.107 0.150PF03947 0 - (0)0 - / - / - -
46T08040 25% 0.156 0.368 PF00197 2 - (0)0 - / - / - -
47T080513 43% 0.446 0.534 PF00881 61 - (34)0 - / - / - -
48T08060 39% 0.219 0.286PF00790 8 - (0)0 - / - / - -
49T080720 33% 0.561 0.584 PF00248 C3_S132 - (21)8 2 / - / 2 -
50T08083 20% 0.157 0.241PF01494 13 - (4)0 - / - / - -

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