Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
UP000000823 (STRA3: Streptococcus agalactiae serotype III - Nov 2015)

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)
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]
Main Code
[Name]
[Number]
[Number]
Distribution of CDocking pKd
[Number]
1gbs083813 42% 0.946 PF00462 3 - (0)? - / - / - 0
2gbs07560 52% 0.931 PF00069 0 - (0)? - / - / - 0
3gbs20630 42% 0.930 PF05214 1 - (0)? - / - / - 0
4gbs033620 83% 0.876 PF02801 0 - (0)? - / - / - 0
5gbs16628 22% 0.875 PF06133 3 - (0)? - / - / - 0
6gbs02552 35% 0.863 PF05025 3 - (0)? - / - / - 0
7gbs046912 36% 0.840 PF12833 28 - (0)? - / - / - 0
8gbs00665 59% 0.836 PF00831 2 - (0)? - / - / - 0
9gbs132963 94% 0.817 PF00232 C3_S188 - (66)20 - / - / 44 23
10gbs00223 38% 0.796 PF00550 12 - (0)? - / - / - 0
11gbs161710 68% 0.789 PF03960 5 - (0)? - / - / - 0
12gbs127023 98% 0.777 PF08124 C1_S129 - (0)10 1 / 1 / 9 3
13gbs127713 80% 0.774 PF00160 2 - (0)? - / - / - 0
14gbs127122 94% 0.772 PF01370 C1_S175 - (68)4 23 / - / - 2
15gbs17075 41% 0.772 PF01985 4 - (0)? - / - / - 0
16gbs13180 50% 0.770 PF09032 0 - (0)? - / - / - 0
17gbs00050 80% 0.768 PF00717 2 - (0)? - / - / - 0
18gbs11477 43% 0.758 PF00717 50 - (0)? - / - / - 0
19gbs048815 41% 0.758 PF08423 4 - (0)? - / - / - 0
20gbs090920 100% 0.757 PF13344 C1_S115 - (3)2 - / - / 2 0
21gbs125415 54% 0.755 PF03960 6 - (0)? - / - / - 0
22gbs131014 43% 0.746 PF01498 11 - (0)? - / - / - 0
23gbs11963 50% 0.745 PF00717 41 - (0)2 - / - / - 0
24gbs01683 50% 0.742 PF01381 11 - (0)2 - / - / - 0
25gbs02724 39% 0.733 PF02378 0 - (0)? - / - / - 0
26gbs170310 43% 0.732 PF02410 2 - (0)? - / - / - 0
27gbs181925 83% 0.728 PF00834 C3_S116 - (10)5 - / - / 4 2
28gbs116720 100% 0.723 PF06971 C6_S133 - (0)2 4 / 1 / - 1
29gbs15360 31% 0.722 PF00569 1 - (0)? - / - / - 0
30gbs08781 35% 0.720 PF01588 3 - (3)? - / - / - 0
31gbs187320 51% 0.716 PF00318 3 - (0)? - / - / - 0
32gbs172428 42% 0.715 PF08501 C7_S150 - (47)7 10 / 6 / 4 2
33gbs204616 47% 0.714 PF03960 18 - (0)? - / - / - 0
34gbs11682 50% 0.712 PF00230 7 - (0)? - / - / - 0
35gbs011627 56% 0.712 PF05025 C1_S126 - (0)6 - / - / 10 1
36gbs04153 87% 0.710 PF07465 0 - (0)? - / - / - 0
37gbs212439 73% 0.710 PF02729 C8_S150 - (42)11 - / 5 / 20 5
38gbs046818 98% 0.708 PF00440 C1_S118 - (0)2 - / - / 6 1
39gbs11504 52% 0.708 PF00957 2 - (0)? - / - / - 0
40gbs176221 56% 0.706 PF00085 C1_S13 - (0)? - / - / 1 0
41gbs05432 43% 0.706 PF02609 0 - (0)? - / - / - 0
42gbs103115 83% 0.704 PF00325 C1_S15 - (0)1 - / - / 1 1
43gbs00766 62% 0.704 PF00327 0 - (0)? - / - / - 0
44gbs082717 31% 0.703 PF09312 3 - (0)? - / - / - 0
45gbs09027 58% 0.703 PF00633 C5_S113 - (0)2 - / 2 / 1 1
46gbs130013 43% 0.701 PF03507 10 - (0)? - / - / - 0
47gbs04340 38% 0.699 PF02142 0 - (0)? - / - / - 0
48gbs012524 45% 0.699 PF01116 C1_S127 - (21)9 - / - / 18 5
49gbs082620 36% 0.698 PF01596 37 - (24)? - / - / - 0
50gbs213413 47% 0.697 PF02195 23 - (0)? - / - / - 0

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