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]
1SA184416 100% 0.570 PF00072 C3_S19 - (0)2 - / - / 3 0
2SA025411 100% 0.499 PF07702 8 - (0)? - / - / - 0
3SA004114 100% 0.579 PF00480 31 - (25)? - / - / - 0
4SA107118 100% 0.493 PF03061 C1_S113 - (0)2 - / 1 / 2 1
5SA016018 100% 0.545 PF03992 C5_S136 - (0)4 16 / - / - 2
6SA097629 100% 0.533 PF04650 C4_S148 - (0)10 6 / - / 12 4
7SA094241 100% 0.778 PF01327 C7_S149 - (15)16 - / 6 / 19 7
8SA145723 100% 0.566 PF03129 C2_S124 - (8)3 - / 1 / 7 2
9SA044823 100% 0.637 PF01588 C2_S118 - (1)3 - / 3 / 1 2
10SA004016 100% 0.556 PF03965 C3_S116 - (0)2 - / - / 4 0
11SA181720 100% 0.678 PF01123 1 - (0)? - / - / - 0
12SA162919 100% 0.489 PF00089 1 - (0)? - / - / - 0
13SA223520 100% 0.529 PF04069 C3_S130 - (0)8 - / - / 1 1
14SA075420 100% 0.524 PF00583 C3_S129 - (16)? - / - / 1 0
15SA214011 100% 0.610 PF07859 C1_S118 - (0)1 - / - / 2 1
16SA207919 100% 0.603 PF01497 C2_S141 - (0)5 2 / 1 / 1 2
17SA027110 100% 0.611 PF06013 2 - (0)? - / - / - 0
18SA097722 100% 0.574 PF05031 C12_S161 - (0)7 15 / 1 / 3 3
19SA231725 100% 0.599 PF00583 C1_S132 - (0)7 2 / - / 5 2
20SA171710 100% 0.571 PF02686 2 - (0)? - / - / - 0
21SAP01217 100% 0.561 PF03965 C3_S114 - (0)2 - / 1 / 2 0
22SA172033 100% 0.523 PF03119 C6_S149 - (30)20 - / 18 / 13 14
23SA003820 100% 0.516 PF00905 C2_S118 - (0)5 - / 2 / 3 5
24SA187427 100% 0.573 PF01168 C1_S151 - (40)6 - / 5 / 15 3
25SA053723 100% 0.563 PF08543 C2_S155 - (44)8 - / 14 / 3 2
26SA155030 100% 0.795 PF00579 C3_S145 - (35)8 - / 9 / 10 4
27SA003924 100% 0.463 PF00905 C5_S137 - (0)15 - / - / 17 6
28SA093420 100% 0.385 PF00381 21 - (0)? - / - / - 0
29SA16599 100% 0.573 PF00397 34 - (0)? - / - / - 0
30SA181919 100% 0.734 PF02876 5 - (0)? - / - / - 0
31SA239313 100% 0.622 PF08546 C2_S138 - (23)4 5 / - / - 2
32SA067420 100% 0.556 PF00884 C3_S111 - (4)3 - / - / 3 1
33SA09613 100% 0.282 PF07408 0 - (0)? - / - / - 0
34SA072321 100% 0.606 PF00574 59 - (0)1 - / - / - 0
35SA130535 100% 0.652 PF00216 C9_S159 - (0)2 4 / 2 / 12 0
36SA047266 100% 0.800 PF00809 C6_S176 - (31)20 - / - / 57 25
37SA192515 100% 0.648 PF00996 C2_S110 - (0)2 - / - / 3 0
38SA144219 100% 0.629 PF01596 34 - (24)1 - / - / - 0
39SA10038 100% 0.694 PF12199 0 - (0)? - / - / - 0
40SA246820 100% 0.577 PF00475 0 - (0)? - / - / - 0
41SA125970 100% 0.632 PF00186 C6_S1163 - (83)20 65 / 7 / 9 10
42SA075915 100% 0.635 PF03960 C2_S116 - (0)1 - / - / 1 0
43SA04569 100% 0.707 PF00056 8 - (0)2 - / - / - 0
44SA072957 100% 0.647 PF00121 C8_S159 - (46)19 - / - / 38 7
45SA098016 100% 0.646 PF01497 C1_S124 - (0)? 1 / - / - 0
46SA011120 100% 0.606 PF01497 C1_S139 - (0)1 - / 1 / 1 1
47SA1730106 100% 0.680 PF02898 C9_S1414 - (28)20 104 / - / 14 11
48SA212436 100% 0.543 PF12681 C1_S154 - (0)15 - / - / 25 4
49SA14239 100% 0.564 PF01985 5 - (0)? - / - / - 0
50SA12639 100% 0.670 PF01264 1 - (1)? - / - / - 0

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