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]
1gbs162650 47% 0.581 PF01712 C1_S194 - (50)20 8 / 22 / 19 20
2gbs125370 79% 0.586 PF01048 C3_S180 - (43)20 - / 7 / 46 19
3gbs177143 38% 0.529 PF11798 C4_S1230 - (210)20 - / - / 47 12
4gbs132963 94% 0.817 PF00232 C3_S188 - (66)20 - / - / 44 23
5gbs123154 55% 0.539 PF03167 C10_S184 - (0)20 - / 4 / 36 12
6gbs122751 86% 0.514 PF01063 C7_S188 - (73)20 - / 4 / 45 4
7gbs086828 68% 0.532 PF03119 C1_S154 - (34)20 - / 16 / 12 14
8gbs091668 55% 0.636 PF00334 C7_S162 - (57)20 - / 18 / 41 9
9gbs118268 50% 0.599 PF00809 C4_S190 - (32)20 - / 4 / 63 26
10gbs043252 51% 0.538 PF01702 C6_S141 - (16)20 - / 8 / 24 21
11gbs078356 59% 0.602 PF00121 C3_S154 - (48)20 - / - / 33 7
12gbs108632 75% 0.567 PF02774 C2_S161 - (35)20 10 / 12 / 16 8
13gbs116121 46% 0.562 PF01513 C3_S144 - (34)20 - / 7 / 15 13
14gbs150752 81% 0.492 PF00343 C5_S1103 - (32)20 - / 14 / 38 31
15gbs159450 79% 0.606 PF12804 C4_S150 - (33)20 1 / 27 / 15 12
16gbs093944 42% 0.563 PF00485 C3_S1122 - (39)20 - / 35 / 7 12
17gbs019056 44% 0.541 PF00128 C1_S1111 - (0)20 - / - / 40 8
18gbs107970 50% 0.622 PF02729 C9_S171 - (45)20 - / 23 / 21 6
19gbs009689 80% 0.602 PF00012 C1_S1105 - (0)20 13 / 49 / 12 9
20gbs159167 73% 0.628 PF01048 C1_S191 - (49)20 - / 37 / 17 13
21gbs158687 49% 0.596 PF00160 C6_S1140 - (0)20 - / 23 / 28 8
22gbs125157 94% 0.550 PF01048 C1_S166 - (46)20 - / - / 45 15
23gbs016730 52% 0.528 PF00871 C8_S153 - (44)20 2 / 8 / 15 12
24gbs0553104 60% 0.565 PF01180 C2_S1474 - (200)20 65 / 37 / 11 11
25gbs190349 70% 0.577 PF01255 C8_S197 - (26)20 4 / 23 / 22 12
26gbs001490 62% 0.598 PF00156 C4_S1123 - (50)19 - / 31 / 42 12
27gbs170643 47% 0.624 PF01467 C4_S168 - (39)18 12 / 7 / 12 5
28gbs118044 47% 0.630 PF01288 C7_S188 - (37)18 2 / 21 / 16 9
29gbs185944 74% 0.523 PF00709 C3_S171 - (54)18 - / 27 / 14 7
30gbs180951 63% 0.603 PF00162 C8_S182 - (72)18 - / 25 / 20 8
31gbs188336 83% 0.485 PF01327 C5_S195 - (25)18 - / 4 / 19 7
32gbs122949 84% 0.523 PF01751 C3_S147 - (0)17 5 / 20 / 9 10
33gbs191128 75% 0.532 PF00128 C1_S1106 - (0)16 - / 1 / 18 7
34gbs144926 69% 0.592 PF01487 C4_S130 - (13)15 - / - / 15 4
35gbs054028 54% 0.659 PF02882 C5_S151 - (37)15 7 / 6 / 12 7
36gbs078445 54% 0.561 PF00300 C1_S149 - (41)15 - / - / 28 5
37gbs211839 69% 0.539 PF00478 C3_S164 - (45)15 - / 10 / 19 4
38gbs110666 79% 0.508 PF00464 C1_S197 - (51)15 - / 1 / 52 4
39gbs033937 58% 0.622 PF02786 C1_S170 - (33)14 - / 15 / 10 8
40gbs026340 77% 0.612 PF00370 C4_S157 - (57)14 - / 2 / 18 4
41gbs031158 57% 0.623 PF00160 C1_S1128 - (5)14 - / 29 / 9 2
42gbs068430 64% 0.533 PF07973 C3_S126 - (10)14 1 / 8 / 9 7
43gbs094137 60% 0.651 PF00383 C5_S156 - (38)13 - / - / 29 7
44gbs154235 48% 0.640 PF00248 C6_S1121 - (72)13 15 / - / 3 3
45gbs054442 57% 0.517 PF00348 C1_S178 - (60)13 - / 1 / 28 7
46gbs000725 78% 0.573 PF01195 C2_S123 - (0)13 - / 1 / 8 5
47gbs174826 41% 0.471 PF13193 C5_S153 - (21)13 - / - / 6 0
48gbs086020 42% 0.624 PF02581 C2_S144 - (35)13 - / 7 / 10 4
49gbs058320 29% 0.497 PF00962 C2_S131 - (5)13 1 / 7 / 5 12
50gbs117023 52% 0.542 PF00232 C2_S190 - (70)13 - / 1 / 9 5

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