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]
1bsu2771089 52% 0.600 PF01702 C5_S1102 - (37)20 2 / 27 / 45 44
2bsu0138079 51% 0.605 PF00557 C2_S180 - (0)20 - / - / 52 32
3bsu1603057 46% 0.554 PF01746 C9_S161 - (20)20 - / 29 / 24 29
4bsu0077072 67% 0.658 PF00809 C3_S189 - (33)20 - / - / 61 26
5bsu1880082 72% 0.517 -C4_S1104 - (12)20 - / - / 52 23
6bsu0341066 42% 0.503 PF00232 C3_S174 - (58)20 - / 1 / 40 22
7bsu0028065 53% 0.613 PF01712 C2_S193 - (51)20 13 / 23 / 21 21
8bsu2349075 57% 0.580 PF01048 C3_S182 - (43)20 - / 7 / 53 20
9bsu2434050 68% 0.595 PF02786 C1_S163 - (31)20 1 / 15 / 31 19
10bsu1486068 82% 0.531 PF02786 C2_S160 - (28)20 2 / 17 / 28 19
11bsu0584066 50% 0.538 PF00232 C2_S195 - (73)20 - / - / 38 19
12bsu1824051 53% 0.589 PF02786 C1_S161 - (30)20 1 / 15 / 31 19
13bsu1655072 44% 0.472 PF13288 C3_S1118 - (55)20 7 / 41 / 28 18
14bsu2376054 49% 0.564 PF00485 C3_S1132 - (37)20 5 / 33 / 6 17
15bsu1963058 99% 0.595 PF01048 C3_S157 - (38)20 - / - / 50 17
16bsu2263066 43% 0.589 PF00290 C3_S157 - (27)20 - / 4 / 41 16
17bsu1613065 43% 0.616 PF00290 C1_S153 - (24)20 - / 4 / 41 16
18bsu2727077 73% 0.621 PF01048 C1_S1117 - (62)20 - / 52 / 19 16
19bsu2954021 37% 0.458 PF01513 C1_S133 - (28)20 - / 3 / 22 15
20bsu1760075 76% 0.568 PF01261 C3_S176 - (67)20 - / - / 40 15
21bsu1653053 58% 0.608 PF01255 C4_S1111 - (32)20 6 / 25 / 24 15
22bsu0965068 40% 0.552 PF02146 C3_S1172 - (0)20 18 / 27 / 17 15
23bsu2516063 39% 0.542 PF02401 C9_S1124 - (0)20 - / 3 / 76 14
24bsu1809039 73% 0.555 PF01751 C3_S136 - (0)17 4 / 13 / 11 13
25bsu1161022 59% 0.539 PF01513 C2_S141 - (32)20 - / 8 / 15 13
26bsu2947035 58% 0.647 PF00871 C6_S157 - (51)20 2 / 15 / 12 12
27bsu2387075 37% 0.528 PF11798 C3_S1316 - (294)20 - / 3 / 51 12
28bsu3797056 100% 0.634 PF03167 C7_S193 - (0)20 - / 9 / 32 12
29bsu2273081 72% 0.639 PF00334 C7_S177 - (76)20 - / 45 / 31 12
30bsu4032074 71% 0.595 PF00491 C7_S151 - (22)20 - / - / 32 12
31bsu0781083 73% 0.563 PF16657 C1_S1110 - (0)20 - / - / 50 11
32bsu0068094 79% 0.560 PF00156 C3_S1122 - (55)20 2 / 30 / 45 11
33bsu2181076 56% 0.668 PF00186 C4_S1117 - (73)20 42 / 19 / 13 11
34bsu0769052 52% 0.628 PF00557 C2_S181 - (0)20 - / - / 32 11
35bsu3456070 100% 0.535 PF16657 C1_S1101 - (0)20 - / - / 46 10
36bsu1572095 67% 0.552 PF01327 C5_S1109 - (15)20 - / 23 / 52 10
37bsu2264085 61% 0.590 PF00291 C3_S184 - (75)19 7 / 13 / 44 10
38bsu3872030 100% 0.655 PF03853 C2_S159 - (49)20 1 / 7 / 23 9
39bsu1502061 98% 0.501 PF01467 C2_S1138 - (86)20 - / 12 / 28 9
40bsu2547062 88% 0.592 PF00012 C2_S165 - (0)20 7 / 28 / 10 9
41bsu3393061 81% 0.876 PF00162 C5_S192 - (80)20 - / 26 / 24 9
42bsu2308051 55% 0.652 PF01487 C4_S157 - (40)20 - / - / 40 9
43bsu0073076 84% 0.600 PF00291 C2_S183 - (53)20 - / 8 / 60 9
44bsu1884061 100% 0.890 PF00722 C8_S173 - (0)20 1 / 2 / 36 9
45bsu3129068 54% 0.515 PF16657 C1_S1100 - (0)20 - / - / 51 9
46bsu1675036 58% 0.592 PF02774 C2_S169 - (35)20 12 / 12 / 14 9
47bsu0050049 51% 0.534 PF12804 C1_S158 - (37)16 - / 22 / 18 9
48bsu1134045 100% 0.544 PF02801 C3_S153 - (5)20 - / 5 / 18 9
49bsu0079062 52% 0.626 PF01288 C6_S1102 - (43)20 2 / 27 / 30 9
50bsu2244053 37% 0.517 PF03099 C5_S170 - (22)16 17 / 13 / 17 8

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