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]
1bsu1572095 67% 0.552 PF01327 C5_S1109 - (15)20 - / 23 / 52 10
2bsu1613065 43% 0.616 PF00290 C1_S153 - (24)20 - / 4 / 41 16
3bsu0073076 84% 0.600 PF00291 C2_S183 - (53)20 - / 8 / 60 9
4bsu2181076 56% 0.668 PF00186 C4_S1117 - (73)20 42 / 19 / 13 11
5bsu2912067 85% 0.584 PF00056 C5_S1103 - (68)20 41 / 13 / 8 6
6bsu0091089 63% 0.585 PF02542 C10_S193 - (67)20 - / - / 68 7
7bsu3855063 50% 0.601 PF01063 C6_S1183 - (119)20 - / 12 / 62 0
8bsu0079062 52% 0.626 PF01288 C6_S1102 - (43)20 2 / 27 / 30 9
9bsu4042047 79% 0.592 PF00709 C5_S191 - (67)20 - / 31 / 19 8
10bsu0781083 73% 0.563 PF16657 C1_S1110 - (0)20 - / - / 50 11
11bsu1760075 76% 0.568 PF01261 C3_S176 - (67)20 - / - / 40 15
12bsu1655072 44% 0.472 PF13288 C3_S1118 - (55)20 7 / 41 / 28 18
13bsu1653053 58% 0.608 PF01255 C4_S1111 - (32)20 6 / 25 / 24 15
14bsu3784066 54% 0.528 PF00483 C1_S180 - (72)20 - / 15 / 39 8
15bsu2263066 43% 0.589 PF00290 C3_S157 - (27)20 - / 4 / 41 16
16bsu22420105 51% 0.626 PF02569 C4_S1308 - (241)20 13 / 44 / 26 6
17bsu2947035 58% 0.647 PF00871 C6_S157 - (51)20 2 / 15 / 12 12
18bsu0077072 67% 0.658 PF00809 C3_S189 - (33)20 - / - / 61 26
19bsu0871052 51% 0.592 PF00202 C1_S192 - (38)20 - / - / 46 8
20bsu2376054 49% 0.564 PF00485 C3_S1132 - (37)20 5 / 33 / 6 17
21bsu0965068 40% 0.552 PF02146 C3_S1172 - (0)20 18 / 27 / 17 15
22bsu1549056 100% 0.625 PF02729 C8_S157 - (43)20 - / 20 / 13 8
23bsu1456054 66% 0.601 PF01327 C5_S1112 - (23)20 - / 8 / 24 8
24bsu2349075 57% 0.580 PF01048 C3_S182 - (43)20 - / 7 / 53 20
25bsu4032074 71% 0.595 PF00491 C7_S151 - (22)20 - / - / 32 12
26bsu0763094 99% 0.574 PF02898 C7_S1335 - (0)20 90 / - / 10 7
27bsu0341066 42% 0.503 PF00232 C3_S174 - (58)20 - / 1 / 40 22
28bsu3797056 100% 0.634 PF03167 C7_S193 - (0)20 - / 9 / 32 12
29bsu2434050 68% 0.595 PF02786 C1_S163 - (31)20 1 / 15 / 31 19
30bsu0584066 50% 0.538 PF00232 C2_S195 - (73)20 - / - / 38 19
31bsu0138079 51% 0.605 PF00557 C2_S180 - (0)20 - / - / 52 32
32bsu1502061 98% 0.501 PF01467 C2_S1138 - (86)20 - / 12 / 28 9
33bsu2954021 37% 0.458 PF01513 C1_S133 - (28)20 - / 3 / 22 15
34bsu1603057 46% 0.554 PF01746 C9_S161 - (20)20 - / 29 / 24 29
35bsu0284066 57% 0.502 PF16657 C1_S1100 - (0)20 - / - / 44 8
36bsu2971085 35% 0.543 PF00850 C2_S1145 - (0)20 - / 7 / 61 4
37bsu3393061 81% 0.876 PF00162 C5_S192 - (80)20 - / 26 / 24 9
38bsu3129068 54% 0.515 PF16657 C1_S1100 - (0)20 - / - / 51 9
39bsu0239079 48% 0.576 PF01063 C6_S1222 - (150)20 - / 11 / 75 0
40bsu2727077 73% 0.621 PF01048 C1_S1117 - (62)20 - / 52 / 19 16
41bsu0248031 95% 0.580 PF00150 C1_S154 - (39)20 - / 3 / 14 7
42bsu2387075 37% 0.528 PF11798 C3_S1316 - (294)20 - / 3 / 51 12
43bsu1134045 100% 0.544 PF02801 C3_S153 - (5)20 - / 5 / 18 9
44bsu2308051 55% 0.652 PF01487 C4_S157 - (40)20 - / - / 40 9
45bsu3392056 69% 0.555 PF00121 C7_S153 - (30)20 - / - / 32 0
46bsu2547062 88% 0.592 PF00012 C2_S165 - (0)20 7 / 28 / 10 9
47bsu1813032 99% 0.539 PF00150 C1_S159 - (42)20 - / 3 / 14 7
48bsu3023071 100% 0.552 PF00202 C1_S1136 - (79)20 - / - / 54 6
49bsu2428054 48% 0.542 PF00348 C1_S179 - (68)20 - / 1 / 39 7
50bsu3599045 44% 0.673 PF02525 C1_S1153 - (70)20 - / 6 / 8 1

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