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]
1gbs0553104 60% 0.565 PF01180 C2_S1474 - (200)20 65 / 37 / 11 11
2gbs007993 84% 0.676 PF05191 C3_S1143 - (132)10 60 / 26 / 2 5
3gbs144565 55% 0.578 PF02852 C1_S1152 - (102)10 60 / - / 6 1
4gbs191055 54% 0.624 PF01370 C1_S1134 - (116)7 43 / 1 / - 2
5gbs127122 94% 0.772 PF01370 C1_S175 - (68)4 23 / - / - 2
6gbs089830 43% 0.554 PF02852 C3_S158 - (51)4 18 / 2 / - 2
7gbs154235 48% 0.640 PF00248 C6_S1121 - (72)13 15 / - / 3 3
8gbs009689 80% 0.602 PF00012 C1_S1105 - (0)20 13 / 49 / 12 9
9gbs078248 75% 0.637 PF03143 C3_S165 - (0)5 13 / 25 / 2 3
10gbs170643 47% 0.624 PF01467 C4_S168 - (39)18 12 / 7 / 12 5
11gbs033539 55% 0.658 PF00106 C1_S159 - (38)13 12 / 4 / 2 3
12gbs176024 43% 0.504 PF14815 C2_S148 - (0)9 11 / - / 5 2
13gbs108632 75% 0.567 PF02774 C2_S161 - (35)20 10 / 12 / 16 8
14gbs172428 42% 0.715 PF08501 C7_S150 - (47)7 10 / 6 / 4 2
15gbs115823 51% 0.549 PF00106 C1_S154 - (37)4 9 / - / - 2
16gbs162650 47% 0.581 PF01712 C1_S194 - (50)20 8 / 22 / 19 20
17gbs054028 54% 0.659 PF02882 C5_S151 - (37)15 7 / 6 / 12 7
18gbs084820 36% 0.515 PF08279 C2_S125 - (17)9 7 / - / 3 6
19gbs117921 63% 0.620 PF02873 C3_S156 - (44)2 7 / - / 1 1
20gbs142320 52% 0.561 PF07992 C1_S1130 - (96)4 7 / - / - 2
21gbs045418 51% 0.566 PF00258 C3_S136 - (32)2 7 / - / - 1
22gbs187520 55% 0.549 PF07992 C2_S164 - (63)2 7 / - / - 1
23gbs156019 47% 0.659 PF01926 C1_S162 - (0)4 6 / 3 / 1 2
24gbs181128 100% 0.507 PF00044 C1_S118 - (10)3 6 / 2 / - 2
25gbs035419 46% 0.577 PF00583 C2_S140 - (0)3 6 / 1 / - 1
26gbs02196 62% 0.592 PF06628 C5_S118 - (0)1 6 / - / - 0
27gbs205214 44% 0.535 PF08676 C1_S122 - (0)2 6 / - / - 1
28gbs122949 84% 0.523 PF01751 C3_S147 - (0)17 5 / 20 / 9 10
29gbs028432 52% 0.523 PF07992 C1_S1111 - (101)8 5 / 11 / 4 3
30gbs180420 61% 0.552 PF00753 C1_S117 - (0)4 5 / 1 / 3 3
31gbs027516 45% 0.499 PF01795 C2_S110 - (6)? 5 / - / - 0
32gbs190349 70% 0.577 PF01255 C8_S197 - (26)20 4 / 23 / 22 12
33gbs074948 50% 0.622 PF02978 C5_S175 - (52)11 4 / 16 / 8 3
34gbs144833 39% 0.455 PF01202 C3_S158 - (54)4 4 / 13 / 8 2
35gbs074218 56% 0.508 PF09239 C1_S140 - (33)7 4 / 9 / - 4
36gbs033320 80% 0.588 PF00977 C3_S142 - (26)4 4 / 4 / - 2
37gbs153119 71% 0.497 PF00271 C4_S124 - (0)3 4 / 3 / 1 0
38gbs190020 64% 0.497 PF00587 C1_S136 - (30)4 4 / 2 / - 2
39gbs116720 100% 0.723 PF06971 C6_S133 - (0)2 4 / 1 / - 1
40gbs032120 55% 0.607 PF00465 C2_S131 - (28)4 4 / - / 5 2
41gbs095513 51% 0.545 PF13932 C1_S152 - (32)2 4 / - / - 1
42gbs094620 79% 0.545 PF02852 C1_S1111 - (100)4 4 / - / - 1
43gbs101741 51% 0.585 PF02978 C9_S176 - (0)13 3 / 13 / 12 4
44gbs012219 34% 0.537 PF00512 C4_S132 - (29)5 3 / 8 / - 3
45gbs120922 68% 0.536 PF13361 C7_S133 - (0)2 3 / 6 / 7 2
46gbs055131 77% 0.490 PF00216 C6_S158 - (0)2 3 / 4 / 10 0
47gbs012620 57% 0.574 PF00056 C3_S167 - (56)2 3 / 2 / - 1
48gbs205323 68% 0.528 PF00313 C5_S139 - (0)4 3 / 2 / - 0
49gbs066824 36% 0.555 PF02826 C1_S159 - (42)4 3 / 1 / 4 1
50gbs103321 38% 0.546 PF01509 C3_S139 - (0)1 3 / 1 / 1 0

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