Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
UP000000751 (Staphylococcus - Mars 2016)

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]
1SA243090 94% 0.749 PF02868 C7_S1198 - (0)20 - / 10 / 53 42
2SA199171 81% 0.771 PF00232 C2_S188 - (65)20 - / - / 49 25
3SA047266 100% 0.800 PF00809 C6_S176 - (31)20 - / - / 57 25
4SA146563 52% 0.553 PF01702 C5_S157 - (26)20 - / 10 / 31 23
5SA000567 99% 0.532 PF01751 C2_S165 - (0)20 6 / 30 / 18 22
6SA044058 100% 0.734 PF01712 C2_S185 - (43)20 18 / 12 / 20 21
7SA118859 99% 0.502 PF01751 C2_S165 - (0)20 8 / 29 / 14 18
8SA096363 100% 0.538 PF02786 C2_S157 - (24)20 2 / 19 / 21 18
9SA143448 59% 0.583 PF02786 C1_S168 - (33)20 - / 20 / 23 18
10SA135744 100% 0.560 PF02786 C2_S168 - (32)20 1 / 15 / 26 18
11SA171192 45% 0.422 PF11798 C3_S1336 - (292)20 - / 14 / 85 17
12SAP01070 98% 0.875 PF00144 C1_S193 - (23)20 - / - / 44 17
13SA234931 98% 0.543 PF00494 C6_S148 - (7)20 3 / 18 / 8 17
14SA130168 100% 0.582 PF00334 C8_S167 - (64)20 - / 34 / 29 14
15SA170447 100% 0.591 PF00557 C2_S182 - (1)20 - / - / 28 14
16SA172033 100% 0.523 PF03119 C6_S149 - (30)20 - / 18 / 13 14
17SA110349 100% 0.596 PF01255 C8_S196 - (25)20 3 / 19 / 24 14
18SA086521 56% 0.583 PF01513 C3_S142 - (34)20 - / 7 / 16 13
19SA142761 100% 0.618 PF01048 C1_S194 - (49)20 - / 39 / 16 13
20SA153329 57% 0.610 PF00871 C4_S156 - (46)20 2 / 10 / 12 12
21SA013148 55% 0.495 PF01048 C2_S149 - (24)20 - / - / 34 12
22SA045750 52% 0.579 PF12804 C1_S160 - (42)18 - / 19 / 22 12
23SA199980 39% 0.517 PF02146 C5_S1165 - (0)20 32 / 30 / 17 12
24SA053858 100% 0.645 PF03167 C8_S179 - (0)20 - / 2 / 33 12
25SA047457 100% 0.523 PF01288 C11_S188 - (36)20 1 / 25 / 28 11
26SA1730106 100% 0.680 PF02898 C9_S1414 - (28)20 104 / - / 14 11
27SA133865 55% 0.501 PF00128 C1_S1106 - (0)20 - / - / 46 10
28SA051279 50% 0.578 PF01063 C7_S1179 - (142)20 - / 15 / 70 10
29SA125970 100% 0.632 PF00186 C6_S1163 - (83)20 65 / 7 / 9 10
30SA047320 99% 0.529 PF02152 C5_S130 - (14)10 - / - / 11 10
31SA046887 98% 0.522 PF00156 C5_S1116 - (49)20 - / 26 / 40 10
32SA097368 100% 0.577 PF01467 C2_S1112 - (89)20 - / 24 / 38 10
33SA126090 100% 0.650 PF00303 C5_S1130 - (85)20 - / 4 / 75 9
34SA2391107 99% 0.599 PF02569 C8_S1331 - (259)20 8 / 44 / 33 9
35SA207825 64% 0.510 PF01156 C1_S136 - (14)17 - / 10 / 14 9
36SA120465 64% 0.602 PF00291 C3_S196 - (90)15 6 / 10 / 36 9
37SA084351 100% 0.542 PF02801 C4_S152 - (5)20 - / 7 / 19 9
38SA098529 93% 0.454 PF01409 C3_S120 - (13)11 2 / 6 / 6 9
39SA043361 54% 0.524 PF00128 C1_S1103 - (0)20 - / - / 45 9
40SA140989 81% 0.620 PF00012 C2_S1102 - (0)20 12 / 50 / 12 9
41SA196864 52% 0.575 PF00491 C9_S141 - (17)20 - / - / 27 9
42SA072855 100% 0.536 PF00162 C9_S181 - (71)18 - / 21 / 23 9
43SA075648 97% 0.565 PF01487 C5_S152 - (40)20 - / - / 39 9
44SA122635 43% 0.510 PF02774 C2_S169 - (38)20 12 / 11 / 15 9
45SA130244 43% 0.521 PF00348 C1_S159 - (43)17 - / 1 / 28 8
46SA168153 49% 0.634 PF00202 C1_S198 - (43)20 - / - / 49 8
47SA143924 63% 0.501 PF00485 C1_S175 - (59)15 2 / 10 / 9 8
48SA047171 69% 0.584 PF00291 C3_S182 - (56)19 - / 10 / 56 8
49SA001642 70% 0.607 PF00709 C3_S172 - (55)18 - / 27 / 14 7
50SA150623 43% 0.521 PF07973 C1_S125 - (9)14 1 / 8 / 9 7

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