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]
1gbs12830 47% 0.675 -0 - (0)? - / - / - 0
2gbs13790 34% -0.271 -7 - (0)? - / - / - 0
3gbs013210 25% 0.459 -15 - (0)? - / - / - 0
4gbs147520 63% 0.495 -0 - (0)? - / - / - 0
5gbs147620 97% 0.469 -0 - (0)? - / - / - 0
6gbs19760 37% -0.046 -2 - (0)? - / - / - 0
7gbs20680 22% 0.218 -1 - (0)? - / - / - 0
8gbs20760 33% 0.167 -4 - (0)? - / - / - 0
9gbs20830 26% 0.207 -17 - (12)? - / - / - 0
10gbs03780 36% 0.339 -13 - (0)? - / - / - 0
11gbs063120 100% 0.482 -0 - (0)? - / - / - 0
12gbs06580 20% 0.079 -0 - (0)? - / - / - 0
13gbs06860 28% 0.259 -3 - (0)? - / - / - 0
14gbs07771 23% 0.137 -6 - (0)? - / - / - 0
15gbs081518 31% 0.344 -20 - (0)? - / - / - 0
16gbs08500 32% 0.289 -17 - (0)? - / - / - 0
17gbs09260 19% 0.244 -0 - (0)? - / - / - 0
18gbs10010 36% 0.350 -13 - (0)? - / - / - 0
19gbs10570 26% 0.168 -0 - (0)? - / - / - 0
20gbs10610 48% 0.570 -0 - (0)? - / - / - 0
21gbs11260 31% 0.591 -24 - (0)? - / - / - 0
22gbs10540 26% 0.153 PF00001 0 - (0)? - / - / - 0
23gbs02710 36% 0.303 PF00001 40 - (0)? - / - / - 0
24gbs03539 55% 0.493 PF00004 C3_S112 - (0)2 - / 5 / - 1
25gbs03790 59% 0.427 PF00005 1 - (0)? - / - / - 0
26gbs108420 30% 0.418 PF00005 9 - (0)? - / - / - 0
27gbs213018 29% 0.436 PF00005 10 - (0)? - / - / - 0
28gbs126020 33% 0.444 PF00005 0 - (0)? - / - / - 0
29gbs018720 50% 0.499 PF00005 C1_S121 - (0)3 - / - / 3 2
30gbs157420 35% 0.623 PF00005 17 - (0)? - / - / - 0
31gbs064120 44% 0.358 PF00005 7 - (0)? - / - / - 0
32gbs014734 38% 0.461 PF00005 C1_S147 - (0)5 - / 1 / 16 3
33gbs092720 30% 0.506 PF00005 8 - (0)? - / - / - 0
34gbs157321 35% 0.651 PF00005 C1_S142 - (41)3 - / 3 / - 2
35gbs027021 35% 0.568 PF00005 C1_S119 - (0)6 - / 5 / - 2
36gbs014825 36% 0.555 PF00005 C1_S147 - (0)5 - / 2 / 3 4
37gbs155214 39% 0.401 PF00005 7 - (0)? - / - / - 0
38gbs035921 54% 0.603 PF00005 C1_S118 - (0)1 - / - / 1 1
39gbs015119 31% 0.598 PF00005 11 - (0)? - / - / - 0
40gbs029620 32% 0.569 PF00005 9 - (0)? - / - / - 0
41gbs146220 33% 0.451 PF00005 17 - (0)? - / - / - 0
42gbs19866 54% 0.448 PF00005 14 - (0)? - / - / - 0
43gbs158820 33% 0.535 PF00005 12 - (0)? - / - / - 0
44gbs110338 38% 0.427 PF00005 C4_S150 - (48)6 - / 21 / 1 4
45gbs012036 40% 0.571 PF00005 C1_S121 - (0)10 - / 2 / 18 5
46gbs162820 55% 0.577 PF00005 C1_S17 - (6)? - / - / 1 0
47gbs085520 38% 0.397 PF00005 22 - (19)? - / - / - 0
48gbs162921 36% 0.672 PF00005 C1_S119 - (0)4 - / 10 / 2 2
49gbs203120 33% 0.537 PF00005 C1_S123 - (21)2 - / 1 / 1 1
50gbs174227 36% 0.371 PF00005 C2_S120 - (0)10 - / 1 / 16 5

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