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]
1gbs000119 38% 0.532 PF01434 C1_S118 - (0)2 - / 7 / 1 1
2gbs00039 29% 0.524 PF00781 C6_S115 - (11)1 - / - / 1 1
3gbs00040 26% 0.273 PF01475 0 - (0)? - / - / - 0
4gbs00050 80% 0.768 PF00717 2 - (0)? - / - / - 0
5gbs000612 46% 0.479 PF01926 8 - (0)? - / - / - 0
6gbs000725 78% 0.573 PF01195 C2_S123 - (0)13 - / 1 / 8 5
7gbs000820 45% 0.436 PF00271 22 - (0)? - / - / - 0
8gbs000910 42% 0.633 PF01479 1 - (0)? - / - / - 0
9gbs00100 35% 0.151 PF00079 10 - (0)? - / - / - 0
10gbs00110 42% 0.640 PF01717 3 - (0)? - / - / - 0
11gbs001216 35% 0.435 PF00905 27 - (0)? - / - / - 0
12gbs001318 33% 0.376 PF01171 8 - (3)? - / - / - 0
13gbs001490 62% 0.598 PF00156 C4_S1123 - (50)19 - / 31 / 42 12
14gbs001722 64% 0.632 PF13793 C5_S120 - (13)4 - / - / 7 3
15gbs001831 38% 0.608 PF00155 C1_S145 - (34)9 - / 1 / 22 2
16gbs00194 28% 0.466 PF01412 0 - (0)? - / - / - 0
17gbs00200 25% 0.243 PF03116 3 - (0)? - / - / - 0
18gbs002112 53% 0.488 PF04166 7 - (2)? - / - / - 0
19gbs00223 38% 0.796 PF00550 12 - (0)? - / - / - 0
20gbs002329 79% 0.473 PF01259 C3_S142 - (36)12 - / 17 / 10 6
21gbs002418 27% 0.337 PF02769 20 - (13)? - / - / - 0
22gbs002520 58% 0.569 PF00156 C6_S124 - (2)3 - / 1 / 5 2
23gbs002620 59% 0.561 PF02769 25 - (0)? - / - / - 0
24gbs002724 78% 0.636 PF00551 C7_S1145 - (15)3 - / - / 2 1
25gbs002815 55% 0.571 PF00583 29 - (11)1 - / - / - 0
26gbs002920 43% 0.484 PF02142 0 - (0)? - / - / - 0
27gbs00309 45% 0.420 PF01551 4 - (0)? - / - / - 0
28gbs00312 42% 0.262 PF01476 10 - (0)? - / - / - 0
29gbs003220 76% 0.641 PF04131 C2_S133 - (11)6 - / - / 6 2
30gbs003318 41% 0.397 PF01547 18 - (0)? - / - / - 0
31gbs00346 42% 0.152 PF14785 1 - (0)? - / - / - 0
32gbs003518 29% 0.299 PF00528 1 - (0)? - / - / - 0
33gbs00363 29% 0.318 PF04074 3 - (0)? - / - / - 0
34gbs00370 40% 0.309 PF01741 6 - (2)? - / - / - 0
35gbs003825 31% 0.593 PF00701 C7_S116 - (16)5 - / - / 8 1
36gbs003918 33% 0.523 PF00480 41 - (34)? - / - / - 0
37gbs004020 44% 0.587 PF05448 24 - (0)? - / - / - 0
38gbs004114 30% 0.549 PF01380 9 - (5)? - / - / - 0
39gbs004220 52% 0.604 PF02844 C1_S132 - (21)4 - / 3 / 5 3
40gbs004340 63% 0.605 PF00731 C4_S138 - (28)12 - / 1 / 20 4
41gbs004423 50% 0.545 PF02222 C2_S152 - (37)8 - / 7 / 11 5
42gbs00450 42% 0.192 PF00101 0 - (0)? - / - / - 0
43gbs00460 44% 0.272 PF01382 11 - (0)? - / - / - 0
44gbs004720 76% 0.576 PF00206 C3_S119 - (9)3 - / - / 3 1
45gbs004818 26% 0.370 PF00717 10 - (0)? - / - / - 0
46gbs004920 55% 0.535 PF05496 C3_S122 - (0)7 - / 10 / 5 4
47gbs005022 40% 0.530 PF01451 C9_S117 - (2)7 - / - / 9 4
48gbs00510 34% -0.057 PF02775 1 - (0)? - / - / - 0
49gbs005217 20% 0.588 PF00657 7 - (0)? - / - / - 0
50gbs005313 35% 0.532 PF00465 C1_S118 - (15)3 - / 6 / - 2

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