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]
50bsu0597020 100% 0.711 PF06971 C8_S133 - (0)4 - / 4 / 2 2
51bsu026307 100% 0.534 PF02416 3 - (0)? - / - / - 0
52bsu3012018 100% 0.835 PF07470 C2_S129 - (0)3 - / - / 2 2
53bsu2837024 100% 0.549 PF03725 C1_S18 - (0)3 - / 1 / 3 3
54bsu2447021 100% 0.691 PF01220 C8_S126 - (0)1 - / - / 1 0
55bsu3631019 100% 0.470 PF00436 C2_S123 - (0)2 - / 2 / 1 0
56bsu0226011 100% 0.590 PF12697 16 - (0)? - / - / - 0
57bsu0756023 100% 0.838 PF00544 C6_S118 - (0)3 - / - / 8 1
58bsu3092019 100% 0.590 PF01636 C1_S140 - (0)1 - / - / 2 1
59bsu2028016 100% 0.648 PF01202 17 - (11)? - / - / - 0
60bsu0465016 100% 0.470 PF01402 2 - (0)? - / - / - 0
61bsu0117020 100% 0.449 PF00573 0 - (0)? - / - / - 0
62bsu3215010 100% 0.546 PF00583 C2_S166 - (43)1 - / - / 2 1
63bsu1746019 100% 0.575 PF03951 C5_S129 - (29)1 - / - / 1 1
64bsu3094013 100% 0.898 PF02333 C2_S13 - (0)2 - / - / 3 1
65bsu4100020 100% 0.555 PF02527 C1_S19 - (0)? - / 1 / - 0
66bsu0305051 100% 0.625 PF00056 C5_S161 - (53)6 14 / 16 / 2 2
67bsu2347017 100% 0.643 PF01740 5 - (0)? - / - / - 0
68bsu243604 100% 0.634 PF12685 1 - (0)? - / - / - 0
69bsu0011030 100% 0.703 PF01680 C6_S119 - (7)6 - / - / 2 1
70bsu1863019 100% 0.659 PF03330 C3_S120 - (0)8 - / 2 / 8 4
71bsu4054016 100% 0.572 PF01638 C3_S113 - (0)4 - / - / 1 1
72bsu358203 100% 0.459 PF05504 0 - (0)? - / - / - 0
73bsu2706014 100% 0.576 PF03830 3 - (3)? - / - / - 0
74bsu3954024 100% 0.483 PF02275 C6_S115 - (10)8 - / - / 4 0
75bsu0653020 100% 0.598 PF02844 C1_S127 - (17)2 - / 3 / 3 2
76bsu3503021 100% 0.612 PF07702 C1_S131 - (0)3 - / - / 3 1
77bsu2882020 100% 0.551 PF02127 1 - (0)? - / - / - 0
78bsu2839057 100% 0.547 PF01177 C3_S159 - (42)9 - / - / 43 4
79bsu1904020 100% 0.621 PF01588 8 - (0)2 - / - / - 0
80bsu1298024 100% 0.791 PF02746 C1_S111 - (0)4 - / - / 1 1
81bsu1673012 100% 0.594 PF02826 41 - (35)1 - / - / - 0
82bsu2931020 100% 0.582 PF00296 C2_S119 - (9)1 - / 1 / - 1
83bsu0420016 100% 0.492 PF00908 16 - (0)1 - / - / - 0
84bsu3456070 100% 0.535 PF16657 C1_S1101 - (0)20 - / - / 46 10
85bsu0995016 100% 0.578 PF00397 C5_S112 - (0)1 - / - / 1 0
86bsu1962024 100% 0.525 PF01079 C8_S115 - (0)6 - / - / 6 3
87bsu166208 100% 0.588 PF01248 5 - (0)? - / - / - 0
88bsu214802 100% 0.407 PF00595 3 - (0)1 - / - / - 0
89bsu0002020 100% 0.603 PF02768 C2_S121 - (0)2 - / - / 2 0
90bsu173506 100% 0.580 PF14157 C8_S12 - (0)2 - / - / 2 1
91bsu3652049 100% 0.536 PF00543 C4_S173 - (0)7 - / 16 / 20 3
92bsu3850022 100% 0.559 PF13193 C2_S126 - (16)7 - / 8 / 2 4
93bsu3390049 100% 0.592 PF03952 C1_S130 - (26)10 - / 1 / 24 7
94bsu1359020 100% 0.592 PF02788 0 - (0)? - / - / - 0
95bsu1539010 100% 0.733 PF04472 0 - (0)? - / - / - 0
96bsu1773018 100% 0.414 PF08327 1 - (0)? - / - / - 0
97bsu0116020 100% 0.316 PF00297 0 - (0)? - / - / - 0
98bsu1737020 100% 0.677 PF07972 C4_S125 - (24)2 10 / - / - 1
99bsu0121020 100% 0.483 PF00237 10 - (0)0 - / - / - 0
100bsu3548020 100% 0.614 PF02645 C3_S134 - (0)3 - / 1 / 3 1

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