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
3gbs001490 62% 0.598 PF00156 C4_S1123 - (50)19 - / 31 / 42 12
4gbs009689 80% 0.602 PF00012 C1_S1105 - (0)20 13 / 49 / 12 9
5gbs158687 49% 0.596 PF00160 C6_S1140 - (0)20 - / 23 / 28 8
6gbs107970 50% 0.622 PF02729 C9_S171 - (45)20 - / 23 / 21 6
7gbs125370 79% 0.586 PF01048 C3_S180 - (43)20 - / 7 / 46 19
8gbs091668 55% 0.636 PF00334 C7_S162 - (57)20 - / 18 / 41 9
9gbs118268 50% 0.599 PF00809 C4_S190 - (32)20 - / 4 / 63 26
10gbs159167 73% 0.628 PF01048 C1_S191 - (49)20 - / 37 / 17 13
11gbs110666 79% 0.508 PF00464 C1_S197 - (51)15 - / 1 / 52 4
12gbs155466 57% 0.524 PF06827 C5_S1161 - (0)5 - / 27 / 40 2
13gbs144565 55% 0.578 PF02852 C1_S1152 - (102)10 60 / - / 6 1
14gbs132963 94% 0.817 PF00232 C3_S188 - (66)20 - / - / 44 23
15gbs031158 57% 0.623 PF00160 C1_S1128 - (5)14 - / 29 / 9 2
16gbs060857 96% 0.608 PF03952 C1_S142 - (34)11 - / 3 / 31 7
17gbs125157 94% 0.550 PF01048 C1_S166 - (46)20 - / - / 45 15
18gbs078356 59% 0.602 PF00121 C3_S154 - (48)20 - / - / 33 7
19gbs019056 44% 0.541 PF00128 C1_S1111 - (0)20 - / - / 40 8
20gbs191055 54% 0.624 PF01370 C1_S1134 - (116)7 43 / 1 / - 2
21gbs123154 55% 0.539 PF03167 C10_S184 - (0)20 - / 4 / 36 12
22gbs150752 81% 0.492 PF00343 C5_S1103 - (32)20 - / 14 / 38 31
23gbs043252 51% 0.538 PF01702 C6_S141 - (16)20 - / 8 / 24 21
24gbs180951 63% 0.603 PF00162 C8_S182 - (72)18 - / 25 / 20 8
25gbs122751 86% 0.514 PF01063 C7_S188 - (73)20 - / 4 / 45 4
26gbs079751 47% 0.615 PF00271 C6_S153 - (0)11 2 / 12 / 16 6
27gbs159450 79% 0.606 PF12804 C4_S150 - (33)20 1 / 27 / 15 12
28gbs162650 47% 0.581 PF01712 C1_S194 - (50)20 8 / 22 / 19 20
29gbs190349 70% 0.577 PF01255 C8_S197 - (26)20 4 / 23 / 22 12
30gbs122949 84% 0.523 PF01751 C3_S147 - (0)17 5 / 20 / 9 10
31gbs074948 50% 0.622 PF02978 C5_S175 - (52)11 4 / 16 / 8 3
32gbs078248 75% 0.637 PF03143 C3_S165 - (0)5 13 / 25 / 2 3
33gbs110247 56% 0.454 PF00005 C1_S157 - (57)12 - / 23 / 10 7
34gbs050846 47% 0.452 PF00005 C1_S157 - (55)8 - / 23 / 8 5
35gbs163546 71% 0.583 PF00156 C2_S164 - (45)13 - / 10 / 21 4
36gbs078445 54% 0.561 PF00300 C1_S149 - (41)15 - / - / 28 5
37gbs118044 47% 0.630 PF01288 C7_S188 - (37)18 2 / 21 / 16 9
38gbs094744 68% 0.621 PF00056 C7_S140 - (30)5 2 / 14 / 7 2
39gbs093944 42% 0.563 PF00485 C3_S1122 - (39)20 - / 35 / 7 12
40gbs078744 75% 0.586 PF01820 C1_S168 - (50)9 - / 18 / 16 3
41gbs185944 74% 0.523 PF00709 C3_S171 - (54)18 - / 27 / 14 7
42gbs177143 38% 0.529 PF11798 C4_S1230 - (210)20 - / - / 47 12
43gbs170643 47% 0.624 PF01467 C4_S168 - (39)18 12 / 7 / 12 5
44gbs125642 77% 0.597 PF06026 C10_S139 - (16)13 - / - / 27 7
45gbs140742 55% 0.463 PF00005 C1_S157 - (57)11 - / 21 / 2 6
46gbs054442 57% 0.517 PF00348 C1_S178 - (60)13 - / 1 / 28 7
47gbs161642 38% 0.464 PF03372 C2_S191 - (1)8 - / 6 / 17 0
48gbs101741 51% 0.585 PF02978 C9_S176 - (0)13 3 / 13 / 12 4
49gbs174141 42% 0.384 PF00005 C2_S151 - (49)7 - / 21 / 1 5
50gbs164941 74% 0.595 PF01177 C3_S158 - (41)7 - / - / 30 3

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