Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
UP000001570 (Bacillus subtilis - May 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]
1bsu049300 41% 1.653 PF00243 2 - (0)? - / - / - 0
2bsu404700 48% 1.238 PF00717 4 - (0)? - / - / - 0
3bsu076600 56% 1.231 PF02113 0 - (0)? - / - / - 0
4bsu197490 47% 1.170 PF02416 4 - (0)? - / - / - 0
5bsu039202 28% 1.170 PF00893 2 - (0)? - / - / - 0
6bsu409800 33% 1.143 PF00048 0 - (0)? - / - / - 0
7bsu288906 45% 1.135 PF02841 1 - (0)? - / - / - 0
8bsu288300 47% 1.133 PF05005 2 - (0)? - / - / - 0
9bsu119290 36% 1.093 PF16879 6 - (0)? - / - / - 0
10bsu064100 38% 1.075 PF01627 3 - (0)? - / - / - 0
11bsu248000 44% 1.066 PF14860 2 - (0)? - / - / - 0
12bsu382300 34% 1.057 PF08209 0 - (0)? - / - / - 0
13bsu115100 33% 1.037 PF00209 8 - (0)? - / - / - 0
14bsu173600 63% 1.013 PF01915 5 - (0)? - / - / - 0
15bsu302400 34% 0.978 PF03946 1 - (0)? - / - / - 0
16bsu338705 35% 0.975 PF03604 0 - (0)? - / - / - 0
17bsu278400 43% 0.949 PF01476 13 - (0)? - / - / - 0
18bsu201000 33% 0.938 PF01782 1 - (0)? - / - / - 0
19bsu3829020 100% 0.931 PF02581 C2_S153 - (40)15 - / 11 / 12 0
20bsu115300 46% 0.930 PF03966 0 - (0)? - / - / - 0
21bsu180190 35% 0.922 PF10557 1 - (0)? - / - / - 0
22bsu298300 38% 0.913 PF02874 0 - (0)? - / - / - 0
23bsu267000 47% 0.911 PF01081 1 - (1)? - / - / - 0
24bsu287002 38% 0.905 PF00903 36 - (0)? - / - / - 0
25bsu391390 43% 0.904 PF13499 6 - (0)? - / - / - 0
26bsu198600 38% 0.901 PF02604 0 - (0)? - / - / - 0
27bsu351300 41% 0.900 PF07992 1 - (0)? - / - / - 0
28bsu324690 50% 0.899 PF02416 2 - (0)? - / - / - 0
29bsu202400 46% 0.899 PF02608 1 - (0)? - / - / - 0
30bsu3094013 100% 0.898 PF02333 C2_S13 - (0)2 - / - / 3 1
31bsu359701 42% 0.897 PF00018 16 - (0)? - / - / - 0
32bsu237200 34% 0.893 PF03119 4 - (0)? - / - / - 0
33bsu1167020 99% 0.893 PF01266 C2_S147 - (36)2 5 / 2 / - 1
34bsu1884061 100% 0.890 PF00722 C8_S173 - (0)20 1 / 2 / 36 9
35bsu321903 48% 0.889 PF10262 2 - (0)? - / - / - 0
36bsu127603 100% 0.880 PF12937 13 - (0)? - / - / - 0
37bsu208800 47% 0.880 PF00382 2 - (2)? - / - / - 0
38bsu244800 59% 0.880 PF01741 0 - (0)? - / - / - 0
39bsu2805020 100% 0.876 PF02545 C4_S19 - (0)5 - / - / 4 1
40bsu3393061 81% 0.876 PF00162 C5_S192 - (80)20 - / 26 / 24 9
41bsu1389018 100% 0.874 PF00358 0 - (0)? - / - / - 0
42bsu1555021 100% 0.871 PF00215 C2_S139 - (26)10 - / 12 / 2 3
43bsu276000 34% 0.870 PF01993 2 - (0)? - / - / - 0
44bsu081706 44% 0.869 PF06013 3 - (0)? - / - / - 0
45bsu293206 33% 0.869 PF00462 12 - (0)? - / - / - 0
46bsu2913043 100% 0.868 PF00180 C7_S156 - (52)17 - / 13 / 23 5
47bsu0318021 99% 0.867 PF05448 C1_S124 - (0)1 - / - / 1 1
48bsu1013020 100% 0.865 PF00762 C2_S124 - (3)8 2 / 2 / 3 4
49bsu3391019 81% 0.862 PF01676 C4_S19 - (9)4 - / 5 / 4 2
50bsu209600 25% 0.862 PF10408 0 - (0)? - / - / - 0

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