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]
1bsu1549056 100% 0.625 PF02729 C8_S157 - (43)20 - / 20 / 13 8
2bsu2434050 68% 0.595 PF02786 C1_S163 - (31)20 1 / 15 / 31 19
3bsu3599045 44% 0.673 PF02525 C1_S1153 - (70)20 - / 6 / 8 1
4bsu2771089 52% 0.600 PF01702 C5_S1102 - (37)20 2 / 27 / 45 44
5bsu0239079 48% 0.576 PF01063 C6_S1222 - (150)20 - / 11 / 75 0
6bsu0871052 51% 0.592 PF00202 C1_S192 - (38)20 - / - / 46 8
7bsu2912067 85% 0.584 PF00056 C5_S1103 - (68)20 41 / 13 / 8 6
8bsu0341066 42% 0.503 PF00232 C3_S174 - (58)20 - / 1 / 40 22
9bsu1613065 43% 0.616 PF00290 C1_S153 - (24)20 - / 4 / 41 16
10bsu1134045 100% 0.544 PF02801 C3_S153 - (5)20 - / 5 / 18 9
11bsu1486068 82% 0.531 PF02786 C2_S160 - (28)20 2 / 17 / 28 19
12bsu1572095 67% 0.552 PF01327 C5_S1109 - (15)20 - / 23 / 52 10
13bsu1653053 58% 0.608 PF01255 C4_S1111 - (32)20 6 / 25 / 24 15
14bsu0138079 51% 0.605 PF00557 C2_S180 - (0)20 - / - / 52 32
15bsu1963058 99% 0.595 PF01048 C3_S157 - (38)20 - / - / 50 17
16bsu1161022 59% 0.539 PF01513 C2_S141 - (32)20 - / 8 / 15 13
17bsu0284066 57% 0.502 PF16657 C1_S1100 - (0)20 - / - / 44 8
18bsu1655072 44% 0.472 PF13288 C3_S1118 - (55)20 7 / 41 / 28 18
19bsu4042047 79% 0.592 PF00709 C5_S191 - (67)20 - / 31 / 19 8
20bsu3393061 81% 0.876 PF00162 C5_S192 - (80)20 - / 26 / 24 9
21bsu2273081 72% 0.639 PF00334 C7_S177 - (76)20 - / 45 / 31 12
22bsu2516063 39% 0.542 PF02401 C9_S1124 - (0)20 - / 3 / 76 14
23bsu3855063 50% 0.601 PF01063 C6_S1183 - (119)20 - / 12 / 62 0
24bsu2387075 37% 0.528 PF11798 C3_S1316 - (294)20 - / 3 / 51 12
25bsu2181076 56% 0.668 PF00186 C4_S1117 - (73)20 42 / 19 / 13 11
26bsu3392056 69% 0.555 PF00121 C7_S153 - (30)20 - / - / 32 0
27bsu1502061 98% 0.501 PF01467 C2_S1138 - (86)20 - / 12 / 28 9
28bsu3872030 100% 0.655 PF03853 C2_S159 - (49)20 1 / 7 / 23 9
29bsu2428054 48% 0.542 PF00348 C1_S179 - (68)20 - / 1 / 39 7
30bsu3023071 100% 0.552 PF00202 C1_S1136 - (79)20 - / - / 54 6
31bsu2267066 43% 0.504 PF00591 C7_S191 - (1)20 - / 22 / 33 8
32bsu1824051 53% 0.589 PF02786 C1_S161 - (30)20 1 / 15 / 31 19
33bsu2263066 43% 0.589 PF00290 C3_S157 - (27)20 - / 4 / 41 16
34bsu2727077 73% 0.621 PF01048 C1_S1117 - (62)20 - / 52 / 19 16
35bsu0068094 79% 0.560 PF00156 C3_S1122 - (55)20 2 / 30 / 45 11
36bsu2971085 35% 0.543 PF00850 C2_S1145 - (0)20 - / 7 / 61 4
37bsu0769052 52% 0.628 PF00557 C2_S181 - (0)20 - / - / 32 11
38bsu2947035 58% 0.647 PF00871 C6_S157 - (51)20 2 / 15 / 12 12
39bsu0079062 52% 0.626 PF01288 C6_S1102 - (43)20 2 / 27 / 30 9
40bsu0965068 40% 0.552 PF02146 C3_S1172 - (0)20 18 / 27 / 17 15
41bsu0781083 73% 0.563 PF16657 C1_S1110 - (0)20 - / - / 50 11
42bsu2547062 88% 0.592 PF00012 C2_S165 - (0)20 7 / 28 / 10 9
43bsu3456070 100% 0.535 PF16657 C1_S1101 - (0)20 - / - / 46 10
44bsu2954021 37% 0.458 PF01513 C1_S133 - (28)20 - / 3 / 22 15
45bsu22420105 51% 0.626 PF02569 C4_S1308 - (241)20 13 / 44 / 26 6
46bsu3129068 54% 0.515 PF16657 C1_S1100 - (0)20 - / - / 51 9
47bsu1603057 46% 0.554 PF01746 C9_S161 - (20)20 - / 29 / 24 29
48bsu3784066 54% 0.528 PF00483 C1_S180 - (72)20 - / 15 / 39 8
49bsu0763094 99% 0.574 PF02898 C7_S1335 - (0)20 90 / - / 10 7
50bsu1813032 99% 0.539 PF00150 C1_S159 - (42)20 - / 3 / 14 7

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