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
2bsu0073076 84% 0.600 PF00291 C2_S183 - (53)20 - / 8 / 60 9
3bsu0239079 48% 0.576 PF01063 C6_S1222 - (150)20 - / 11 / 75 0
4bsu1813032 99% 0.539 PF00150 C1_S159 - (42)20 - / 3 / 14 7
5bsu1572095 67% 0.552 PF01327 C5_S1109 - (15)20 - / 23 / 52 10
6bsu3393061 81% 0.876 PF00162 C5_S192 - (80)20 - / 26 / 24 9
7bsu0781083 73% 0.563 PF16657 C1_S1110 - (0)20 - / - / 50 11
8bsu2434050 68% 0.595 PF02786 C1_S163 - (31)20 1 / 15 / 31 19
9bsu0769052 52% 0.628 PF00557 C2_S181 - (0)20 - / - / 32 11
10bsu0028065 53% 0.613 PF01712 C2_S193 - (51)20 13 / 23 / 21 21
11bsu1884061 100% 0.890 PF00722 C8_S173 - (0)20 1 / 2 / 36 9
12bsu2947035 58% 0.647 PF00871 C6_S157 - (51)20 2 / 15 / 12 12
13bsu3872030 100% 0.655 PF03853 C2_S159 - (49)20 1 / 7 / 23 9
14bsu2349075 57% 0.580 PF01048 C3_S182 - (43)20 - / 7 / 53 20
15bsu2727077 73% 0.621 PF01048 C1_S1117 - (62)20 - / 52 / 19 16
16bsu1161022 59% 0.539 PF01513 C2_S141 - (32)20 - / 8 / 15 13
17bsu3855063 50% 0.601 PF01063 C6_S1183 - (119)20 - / 12 / 62 0
18bsu2308051 55% 0.652 PF01487 C4_S157 - (40)20 - / - / 40 9
19bsu2376054 49% 0.564 PF00485 C3_S1132 - (37)20 5 / 33 / 6 17
20bsu0068094 79% 0.560 PF00156 C3_S1122 - (55)20 2 / 30 / 45 11
21bsu3797056 100% 0.634 PF03167 C7_S193 - (0)20 - / 9 / 32 12
22bsu1134045 100% 0.544 PF02801 C3_S153 - (5)20 - / 5 / 18 9
23bsu2263066 43% 0.589 PF00290 C3_S157 - (27)20 - / 4 / 41 16
24bsu1655072 44% 0.472 PF13288 C3_S1118 - (55)20 7 / 41 / 28 18
25bsu1613065 43% 0.616 PF00290 C1_S153 - (24)20 - / 4 / 41 16
26bsu3392056 69% 0.555 PF00121 C7_S153 - (30)20 - / - / 32 0
27bsu2954021 37% 0.458 PF01513 C1_S133 - (28)20 - / 3 / 22 15
28bsu0079062 52% 0.626 PF01288 C6_S1102 - (43)20 2 / 27 / 30 9
29bsu1456054 66% 0.601 PF01327 C5_S1112 - (23)20 - / 8 / 24 8
30bsu0248031 95% 0.580 PF00150 C1_S154 - (39)20 - / 3 / 14 7
31bsu0584066 50% 0.538 PF00232 C2_S195 - (73)20 - / - / 38 19
32bsu1653053 58% 0.608 PF01255 C4_S1111 - (32)20 6 / 25 / 24 15
33bsu0965068 40% 0.552 PF02146 C3_S1172 - (0)20 18 / 27 / 17 15
34bsu1963058 99% 0.595 PF01048 C3_S157 - (38)20 - / - / 50 17
35bsu0091089 63% 0.585 PF02542 C10_S193 - (67)20 - / - / 68 7
36bsu1549056 100% 0.625 PF02729 C8_S157 - (43)20 - / 20 / 13 8
37bsu2387075 37% 0.528 PF11798 C3_S1316 - (294)20 - / 3 / 51 12
38bsu0138079 51% 0.605 PF00557 C2_S180 - (0)20 - / - / 52 32
39bsu1880082 72% 0.517 -C4_S1104 - (12)20 - / - / 52 23
40bsu2428054 48% 0.542 PF00348 C1_S179 - (68)20 - / 1 / 39 7
41bsu0763094 99% 0.574 PF02898 C7_S1335 - (0)20 90 / - / 10 7
42bsu2912067 85% 0.584 PF00056 C5_S1103 - (68)20 41 / 13 / 8 6
43bsu2181076 56% 0.668 PF00186 C4_S1117 - (73)20 42 / 19 / 13 11
44bsu4042047 79% 0.592 PF00709 C5_S191 - (67)20 - / 31 / 19 8
45bsu3129068 54% 0.515 PF16657 C1_S1100 - (0)20 - / - / 51 9
46bsu1760075 76% 0.568 PF01261 C3_S176 - (67)20 - / - / 40 15
47bsu0077072 67% 0.658 PF00809 C3_S189 - (33)20 - / - / 61 26
48bsu2516063 39% 0.542 PF02401 C9_S1124 - (0)20 - / 3 / 76 14
49bsu2971085 35% 0.543 PF00850 C2_S1145 - (0)20 - / 7 / 61 4
50bsu0284066 57% 0.502 PF16657 C1_S1100 - (0)20 - / - / 44 8

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