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]
1gbs190349 70% 0.577 PF01255 C8_S197 - (26)20 4 / 23 / 22 12
2gbs093944 42% 0.563 PF00485 C3_S1122 - (39)20 - / 35 / 7 12
3gbs150752 81% 0.492 PF00343 C5_S1103 - (32)20 - / 14 / 38 31
4gbs116121 46% 0.562 PF01513 C3_S144 - (34)20 - / 7 / 15 13
5gbs125370 79% 0.586 PF01048 C3_S180 - (43)20 - / 7 / 46 19
6gbs177143 38% 0.529 PF11798 C4_S1230 - (210)20 - / - / 47 12
7gbs162650 47% 0.581 PF01712 C1_S194 - (50)20 8 / 22 / 19 20
8gbs132963 94% 0.817 PF00232 C3_S188 - (66)20 - / - / 44 23
9gbs107970 50% 0.622 PF02729 C9_S171 - (45)20 - / 23 / 21 6
10gbs118268 50% 0.599 PF00809 C4_S190 - (32)20 - / 4 / 63 26
11gbs086828 68% 0.532 PF03119 C1_S154 - (34)20 - / 16 / 12 14
12gbs122751 86% 0.514 PF01063 C7_S188 - (73)20 - / 4 / 45 4
13gbs108632 75% 0.567 PF02774 C2_S161 - (35)20 10 / 12 / 16 8
14gbs158687 49% 0.596 PF00160 C6_S1140 - (0)20 - / 23 / 28 8
15gbs091668 55% 0.636 PF00334 C7_S162 - (57)20 - / 18 / 41 9
16gbs009689 80% 0.602 PF00012 C1_S1105 - (0)20 13 / 49 / 12 9
17gbs078356 59% 0.602 PF00121 C3_S154 - (48)20 - / - / 33 7
18gbs159167 73% 0.628 PF01048 C1_S191 - (49)20 - / 37 / 17 13
19gbs043252 51% 0.538 PF01702 C6_S141 - (16)20 - / 8 / 24 21
20gbs123154 55% 0.539 PF03167 C10_S184 - (0)20 - / 4 / 36 12
21gbs019056 44% 0.541 PF00128 C1_S1111 - (0)20 - / - / 40 8
22gbs0553104 60% 0.565 PF01180 C2_S1474 - (200)20 65 / 37 / 11 11
23gbs016730 52% 0.528 PF00871 C8_S153 - (44)20 2 / 8 / 15 12
24gbs125157 94% 0.550 PF01048 C1_S166 - (46)20 - / - / 45 15
25gbs159450 79% 0.606 PF12804 C4_S150 - (33)20 1 / 27 / 15 12
26gbs001490 62% 0.598 PF00156 C4_S1123 - (50)19 - / 31 / 42 12
27gbs185944 74% 0.523 PF00709 C3_S171 - (54)18 - / 27 / 14 7
28gbs180951 63% 0.603 PF00162 C8_S182 - (72)18 - / 25 / 20 8
29gbs118044 47% 0.630 PF01288 C7_S188 - (37)18 2 / 21 / 16 9
30gbs188336 83% 0.485 PF01327 C5_S195 - (25)18 - / 4 / 19 7
31gbs170643 47% 0.624 PF01467 C4_S168 - (39)18 12 / 7 / 12 5
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
35gbs078445 54% 0.561 PF00300 C1_S149 - (41)15 - / - / 28 5
36gbs054028 54% 0.659 PF02882 C5_S151 - (37)15 7 / 6 / 12 7
37gbs110666 79% 0.508 PF00464 C1_S197 - (51)15 - / 1 / 52 4
38gbs211839 69% 0.539 PF00478 C3_S164 - (45)15 - / 10 / 19 4
39gbs026340 77% 0.612 PF00370 C4_S157 - (57)14 - / 2 / 18 4
40gbs033937 58% 0.622 PF02786 C1_S170 - (33)14 - / 15 / 10 8
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
43gbs101741 51% 0.585 PF02978 C9_S176 - (0)13 3 / 13 / 12 4
44gbs058320 29% 0.497 PF00962 C2_S131 - (5)13 1 / 7 / 5 12
45gbs054442 57% 0.517 PF00348 C1_S178 - (60)13 - / 1 / 28 7
46gbs094137 60% 0.651 PF00383 C5_S156 - (38)13 - / - / 29 7
47gbs154235 48% 0.640 PF00248 C6_S1121 - (72)13 15 / - / 3 3
48gbs086020 42% 0.624 PF02581 C2_S144 - (35)13 - / 7 / 10 4
49gbs174826 41% 0.471 PF13193 C5_S153 - (21)13 - / - / 6 0
50gbs163546 71% 0.583 PF00156 C2_S164 - (45)13 - / 10 / 21 4

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