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]
1gbs150752 81% 0.492 PF00343 C5_S1103 - (32)20 - / 14 / 38 31
2gbs118268 50% 0.599 PF00809 C4_S190 - (32)20 - / 4 / 63 26
3gbs132963 94% 0.817 PF00232 C3_S188 - (66)20 - / - / 44 23
4gbs043252 51% 0.538 PF01702 C6_S141 - (16)20 - / 8 / 24 21
5gbs162650 47% 0.581 PF01712 C1_S194 - (50)20 8 / 22 / 19 20
6gbs125370 79% 0.586 PF01048 C3_S180 - (43)20 - / 7 / 46 19
7gbs125157 94% 0.550 PF01048 C1_S166 - (46)20 - / - / 45 15
8gbs086828 68% 0.532 PF03119 C1_S154 - (34)20 - / 16 / 12 14
9gbs159167 73% 0.628 PF01048 C1_S191 - (49)20 - / 37 / 17 13
10gbs116121 46% 0.562 PF01513 C3_S144 - (34)20 - / 7 / 15 13
11gbs123154 55% 0.539 PF03167 C10_S184 - (0)20 - / 4 / 36 12
12gbs190349 70% 0.577 PF01255 C8_S197 - (26)20 4 / 23 / 22 12
13gbs177143 38% 0.529 PF11798 C4_S1230 - (210)20 - / - / 47 12
14gbs058320 29% 0.497 PF00962 C2_S131 - (5)13 1 / 7 / 5 12
15gbs093944 42% 0.563 PF00485 C3_S1122 - (39)20 - / 35 / 7 12
16gbs016730 52% 0.528 PF00871 C8_S153 - (44)20 2 / 8 / 15 12
17gbs001490 62% 0.598 PF00156 C4_S1123 - (50)19 - / 31 / 42 12
18gbs159450 79% 0.606 PF12804 C4_S150 - (33)20 1 / 27 / 15 12
19gbs0553104 60% 0.565 PF01180 C2_S1474 - (200)20 65 / 37 / 11 11
20gbs122949 84% 0.523 PF01751 C3_S147 - (0)17 5 / 20 / 9 10
21gbs118044 47% 0.630 PF01288 C7_S188 - (37)18 2 / 21 / 16 9
22gbs088629 72% 0.466 PF01409 C4_S120 - (13)11 2 / 6 / 6 9
23gbs009689 80% 0.602 PF00012 C1_S1105 - (0)20 13 / 49 / 12 9
24gbs091668 55% 0.636 PF00334 C7_S162 - (57)20 - / 18 / 41 9
25gbs118120 50% 0.555 PF02152 C3_S119 - (6)10 - / - / 11 9
26gbs158687 49% 0.596 PF00160 C6_S1140 - (0)20 - / 23 / 28 8
27gbs019056 44% 0.541 PF00128 C1_S1111 - (0)20 - / - / 40 8
28gbs033937 58% 0.622 PF02786 C1_S170 - (33)14 - / 15 / 10 8
29gbs108632 75% 0.567 PF02774 C2_S161 - (35)20 10 / 12 / 16 8
30gbs180951 63% 0.603 PF00162 C8_S182 - (72)18 - / 25 / 20 8
31gbs054442 57% 0.517 PF00348 C1_S178 - (60)13 - / 1 / 28 7
32gbs125642 77% 0.597 PF06026 C10_S139 - (16)13 - / - / 27 7
33gbs094137 60% 0.651 PF00383 C5_S156 - (38)13 - / - / 29 7
34gbs191128 75% 0.532 PF00128 C1_S1106 - (0)16 - / 1 / 18 7
35gbs068430 64% 0.533 PF07973 C3_S126 - (10)14 1 / 8 / 9 7
36gbs060857 96% 0.608 PF03952 C1_S142 - (34)11 - / 3 / 31 7
37gbs110247 56% 0.454 PF00005 C1_S157 - (57)12 - / 23 / 10 7
38gbs054028 54% 0.659 PF02882 C5_S151 - (37)15 7 / 6 / 12 7
39gbs187915 36% 0.460 PF05649 C6_S119 - (0)11 - / 2 / 8 7
40gbs185944 74% 0.523 PF00709 C3_S171 - (54)18 - / 27 / 14 7
41gbs188336 83% 0.485 PF01327 C5_S195 - (25)18 - / 4 / 19 7
42gbs078356 59% 0.602 PF00121 C3_S154 - (48)20 - / - / 33 7
43gbs081926 63% 0.606 PF01182 C1_S119 - (11)12 - / - / 12 6
44gbs079751 47% 0.615 PF00271 C6_S153 - (0)11 2 / 12 / 16 6
45gbs002329 79% 0.473 PF01259 C3_S142 - (36)12 - / 17 / 10 6
46gbs107970 50% 0.622 PF02729 C9_S171 - (45)20 - / 23 / 21 6
47gbs140742 55% 0.463 PF00005 C1_S157 - (57)11 - / 21 / 2 6
48gbs195037 37% 0.483 PF00005 C1_S135 - (0)12 - / 9 / 13 6
49gbs185334 90% 0.634 PF00215 C1_S142 - (37)11 - / - / 27 6
50gbs084820 36% 0.515 PF08279 C2_S125 - (17)9 7 / - / 3 6

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