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]
1gbs125370 79% 0.586 PF01048 C3_S180 - (43)20 - / 7 / 46 19
2gbs118268 50% 0.599 PF00809 C4_S190 - (32)20 - / 4 / 63 26
3gbs043252 51% 0.538 PF01702 C6_S141 - (16)20 - / 8 / 24 21
4gbs107970 50% 0.622 PF02729 C9_S171 - (45)20 - / 23 / 21 6
5gbs009689 80% 0.602 PF00012 C1_S1105 - (0)20 13 / 49 / 12 9
6gbs078356 59% 0.602 PF00121 C3_S154 - (48)20 - / - / 33 7
7gbs177143 38% 0.529 PF11798 C4_S1230 - (210)20 - / - / 47 12
8gbs019056 44% 0.541 PF00128 C1_S1111 - (0)20 - / - / 40 8
9gbs091668 55% 0.636 PF00334 C7_S162 - (57)20 - / 18 / 41 9
10gbs158687 49% 0.596 PF00160 C6_S1140 - (0)20 - / 23 / 28 8
11gbs150752 81% 0.492 PF00343 C5_S1103 - (32)20 - / 14 / 38 31
12gbs190349 70% 0.577 PF01255 C8_S197 - (26)20 4 / 23 / 22 12
13gbs122751 86% 0.514 PF01063 C7_S188 - (73)20 - / 4 / 45 4
14gbs116121 46% 0.562 PF01513 C3_S144 - (34)20 - / 7 / 15 13
15gbs016730 52% 0.528 PF00871 C8_S153 - (44)20 2 / 8 / 15 12
16gbs093944 42% 0.563 PF00485 C3_S1122 - (39)20 - / 35 / 7 12
17gbs108632 75% 0.567 PF02774 C2_S161 - (35)20 10 / 12 / 16 8
18gbs086828 68% 0.532 PF03119 C1_S154 - (34)20 - / 16 / 12 14
19gbs125157 94% 0.550 PF01048 C1_S166 - (46)20 - / - / 45 15
20gbs0553104 60% 0.565 PF01180 C2_S1474 - (200)20 65 / 37 / 11 11
21gbs123154 55% 0.539 PF03167 C10_S184 - (0)20 - / 4 / 36 12
22gbs162650 47% 0.581 PF01712 C1_S194 - (50)20 8 / 22 / 19 20
23gbs132963 94% 0.817 PF00232 C3_S188 - (66)20 - / - / 44 23
24gbs159167 73% 0.628 PF01048 C1_S191 - (49)20 - / 37 / 17 13
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
27gbs188336 83% 0.485 PF01327 C5_S195 - (25)18 - / 4 / 19 7
28gbs170643 47% 0.624 PF01467 C4_S168 - (39)18 12 / 7 / 12 5
29gbs185944 74% 0.523 PF00709 C3_S171 - (54)18 - / 27 / 14 7
30gbs180951 63% 0.603 PF00162 C8_S182 - (72)18 - / 25 / 20 8
31gbs118044 47% 0.630 PF01288 C7_S188 - (37)18 2 / 21 / 16 9
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
34gbs110666 79% 0.508 PF00464 C1_S197 - (51)15 - / 1 / 52 4
35gbs211839 69% 0.539 PF00478 C3_S164 - (45)15 - / 10 / 19 4
36gbs144926 69% 0.592 PF01487 C4_S130 - (13)15 - / - / 15 4
37gbs054028 54% 0.659 PF02882 C5_S151 - (37)15 7 / 6 / 12 7
38gbs078445 54% 0.561 PF00300 C1_S149 - (41)15 - / - / 28 5
39gbs031158 57% 0.623 PF00160 C1_S1128 - (5)14 - / 29 / 9 2
40gbs026340 77% 0.612 PF00370 C4_S157 - (57)14 - / 2 / 18 4
41gbs033937 58% 0.622 PF02786 C1_S170 - (33)14 - / 15 / 10 8
42gbs068430 64% 0.533 PF07973 C3_S126 - (10)14 1 / 8 / 9 7
43gbs058320 29% 0.497 PF00962 C2_S131 - (5)13 1 / 7 / 5 12
44gbs054442 57% 0.517 PF00348 C1_S178 - (60)13 - / 1 / 28 7
45gbs117023 52% 0.542 PF00232 C2_S190 - (70)13 - / 1 / 9 5
46gbs086020 42% 0.624 PF02581 C2_S144 - (35)13 - / 7 / 10 4
47gbs163546 71% 0.583 PF00156 C2_S164 - (45)13 - / 10 / 21 4
48gbs101741 51% 0.585 PF02978 C9_S176 - (0)13 3 / 13 / 12 4
49gbs174826 41% 0.471 PF13193 C5_S153 - (21)13 - / - / 6 0
50gbs125642 77% 0.597 PF06026 C10_S139 - (16)13 - / - / 27 7

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