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]
1bsu0781083 73% 0.563 PF16657 C1_S1110 - (0)20 - / - / 50 11
2bsu3392056 69% 0.555 PF00121 C7_S153 - (30)20 - / - / 32 0
3bsu2727077 73% 0.621 PF01048 C1_S1117 - (62)20 - / 52 / 19 16
4bsu0763094 99% 0.574 PF02898 C7_S1335 - (0)20 90 / - / 10 7
5bsu0239079 48% 0.576 PF01063 C6_S1222 - (150)20 - / 11 / 75 0
6bsu2428054 48% 0.542 PF00348 C1_S179 - (68)20 - / 1 / 39 7
7bsu2273081 72% 0.639 PF00334 C7_S177 - (76)20 - / 45 / 31 12
8bsu0248031 95% 0.580 PF00150 C1_S154 - (39)20 - / 3 / 14 7
9bsu1161022 59% 0.539 PF01513 C2_S141 - (32)20 - / 8 / 15 13
10bsu3797056 100% 0.634 PF03167 C7_S193 - (0)20 - / 9 / 32 12
11bsu2267066 43% 0.504 PF00591 C7_S191 - (1)20 - / 22 / 33 8
12bsu3872030 100% 0.655 PF03853 C2_S159 - (49)20 1 / 7 / 23 9
13bsu4032074 71% 0.595 PF00491 C7_S151 - (22)20 - / - / 32 12
14bsu2349075 57% 0.580 PF01048 C3_S182 - (43)20 - / 7 / 53 20
15bsu1549056 100% 0.625 PF02729 C8_S157 - (43)20 - / 20 / 13 8
16bsu1502061 98% 0.501 PF01467 C2_S1138 - (86)20 - / 12 / 28 9
17bsu2387075 37% 0.528 PF11798 C3_S1316 - (294)20 - / 3 / 51 12
18bsu0584066 50% 0.538 PF00232 C2_S195 - (73)20 - / - / 38 19
19bsu0079062 52% 0.626 PF01288 C6_S1102 - (43)20 2 / 27 / 30 9
20bsu1963058 99% 0.595 PF01048 C3_S157 - (38)20 - / - / 50 17
21bsu1813032 99% 0.539 PF00150 C1_S159 - (42)20 - / 3 / 14 7
22bsu1884061 100% 0.890 PF00722 C8_S173 - (0)20 1 / 2 / 36 9
23bsu2547062 88% 0.592 PF00012 C2_S165 - (0)20 7 / 28 / 10 9
24bsu3393061 81% 0.876 PF00162 C5_S192 - (80)20 - / 26 / 24 9
25bsu2308051 55% 0.652 PF01487 C4_S157 - (40)20 - / - / 40 9
26bsu2376054 49% 0.564 PF00485 C3_S1132 - (37)20 5 / 33 / 6 17
27bsu1456054 66% 0.601 PF01327 C5_S1112 - (23)20 - / 8 / 24 8
28bsu3456070 100% 0.535 PF16657 C1_S1101 - (0)20 - / - / 46 10
29bsu2181076 56% 0.668 PF00186 C4_S1117 - (73)20 42 / 19 / 13 11
30bsu1613065 43% 0.616 PF00290 C1_S153 - (24)20 - / 4 / 41 16
31bsu1486068 82% 0.531 PF02786 C2_S160 - (28)20 2 / 17 / 28 19
32bsu1603057 46% 0.554 PF01746 C9_S161 - (20)20 - / 29 / 24 29
33bsu0769052 52% 0.628 PF00557 C2_S181 - (0)20 - / - / 32 11
34bsu1880082 72% 0.517 -C4_S1104 - (12)20 - / - / 52 23
35bsu2971085 35% 0.543 PF00850 C2_S1145 - (0)20 - / 7 / 61 4
36bsu0028065 53% 0.613 PF01712 C2_S193 - (51)20 13 / 23 / 21 21
37bsu0073076 84% 0.600 PF00291 C2_S183 - (53)20 - / 8 / 60 9
38bsu3784066 54% 0.528 PF00483 C1_S180 - (72)20 - / 15 / 39 8
39bsu3129068 54% 0.515 PF16657 C1_S1100 - (0)20 - / - / 51 9
40bsu2912067 85% 0.584 PF00056 C5_S1103 - (68)20 41 / 13 / 8 6
41bsu0077072 67% 0.658 PF00809 C3_S189 - (33)20 - / - / 61 26
42bsu0068094 79% 0.560 PF00156 C3_S1122 - (55)20 2 / 30 / 45 11
43bsu3855063 50% 0.601 PF01063 C6_S1183 - (119)20 - / 12 / 62 0
44bsu0091089 63% 0.585 PF02542 C10_S193 - (67)20 - / - / 68 7
45bsu22420105 51% 0.626 PF02569 C4_S1308 - (241)20 13 / 44 / 26 6
46bsu3023071 100% 0.552 PF00202 C1_S1136 - (79)20 - / - / 54 6
47bsu2434050 68% 0.595 PF02786 C1_S163 - (31)20 1 / 15 / 31 19
48bsu1675036 58% 0.592 PF02774 C2_S169 - (35)20 12 / 12 / 14 9
49bsu0284066 57% 0.502 PF16657 C1_S1100 - (0)20 - / - / 44 8
50bsu1760075 76% 0.568 PF01261 C3_S176 - (67)20 - / - / 40 15

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