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]
1SA20531 31% 1.181 PF02038 0 - (0)? - / - / - 0
2SA037914 31% 0.881 PF00551 8 - (0)? - / - / - 0
3SA010811 100% 0.878 PF01047 3 - (0)? - / - / - 0
4SAP01070 98% 0.875 PF00144 C1_S193 - (23)20 - / - / 44 17
5SA115111 34% 0.846 PF00882 5 - (0)? - / - / - 0
6SA234510 56% 0.840 PF00403 8 - (0)? - / - / - 0
7SA20305 74% 0.836 PF00327 1 - (0)? - / - / - 0
8SA107523 100% 0.833 PF00550 C5_S14 - (0)3 - / - / 2 2
9SA010719 100% 0.831 PF04650 1 - (0)? - / - / - 0
10SA0494_10 31% 0.828 PF00049 0 - (0)? - / - / - 0
11SA219515 52% 0.824 PF06769 7 - (0)? - / - / - 0
12SA098220 99% 0.807 -C2_S118 - (1)5 - / - / 6 1
13SA1888_10 31% 0.806 PF00275 5 - (2)? - / - / - 0
14SA1670_10 36% 0.803 PF04420 0 - (0)? - / - / - 0
15SA03950 35% 0.802 PF01180 0 - (0)? - / - / - 0
16SA14770 52% 0.801 PF00365 1 - (0)? - / - / - 0
17SA047266 100% 0.800 PF00809 C6_S176 - (31)20 - / - / 57 25
18SA02217 100% 0.800 PF11546 0 - (0)? - / - / - 0
19SA069320 100% 0.796 PF02873 C1_S160 - (44)2 7 / - / 1 1
20SA155030 100% 0.795 PF00579 C3_S145 - (35)8 - / 9 / 10 4
21SA123420 77% 0.794 PF00313 C6_S137 - (0)3 1 / 2 / - 0
22SA217813 53% 0.792 PF13411 20 - (0)1 - / - / - 0
23SA16200 41% 0.789 PF12697 0 - (0)? - / - / - 0
24SA074213 87% 0.787 PF04650 C9_S19 - (0)? 1 / - / - 0
25SA20397 78% 0.786 PF00831 1 - (0)? - / - / - 0
26SA111619 72% 0.786 PF00312 0 - (0)? - / - / - 0
27SA1842_10 27% 0.786 PF01402 1 - (0)? - / - / - 0
28SA249815 45% 0.785 PF02195 26 - (0)? - / - / - 0
29SA23630 47% 0.783 PF00998 8 - (0)? - / - / - 0
30SA2054_10 43% 0.780 PF00038 2 - (0)? - / - / - 0
31SA094241 100% 0.778 PF01327 C7_S149 - (15)16 - / 6 / 19 7
32SA06326 41% 0.776 PF02919 6 - (0)? - / - / - 0
33SA14143 41% 0.775 PF01649 0 - (0)? - / - / - 0
34SA183719 55% 0.772 PF00166 1 - (0)? - / - / - 0
35SA199171 81% 0.771 PF00232 C2_S188 - (65)20 - / - / 49 25
36SA17738 42% 0.770 PF02889 1 - (0)? - / - / - 0
37SA0930_10 57% 0.769 PF00522 0 - (0)? - / - / - 0
38SA18880 33% 0.769 PF00362 0 - (0)? - / - / - 0
39SA074719 72% 0.768 PF00313 29 - (0)1 - / - / - 0
40SA03373 47% 0.765 PF01381 39 - (0)1 - / - / - 0
41SA183415 61% 0.761 PF08671 8 - (0)? - / - / - 0
42SA1195_17 100% 0.760 PF01361 20 - (0)1 - / - / - 0
43SA206514 100% 0.759 PF02597 9 - (0)0 - / - / - 0
44SA18043 100% 0.759 PF00717 8 - (0)? - / - / - 0
45SA103620 99% 0.754 PF01588 C2_S130 - (13)2 - / 2 / - 1
46SA243090 94% 0.749 PF02868 C7_S1198 - (0)20 - / 10 / 53 42
47SA01393 32% 0.749 PF01174 1 - (0)? - / - / - 0
48SAP01819 100% 0.748 PF01451 C8_S113 - (2)1 - / - / 3 1
49SA183312 41% 0.739 PF00356 26 - (21)? - / - / - 0
50SA16634 49% 0.739 PF04433 0 - (0)? - / - / - 0

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