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]
50bsu0284066 57% 0.502 PF16657 C1_S1100 - (0)20 - / - / 44 8
51bsu2277066 100% 0.809 PF02081 C16_S192 - (0)2 - / 3 / 47 1
52bsu2267066 43% 0.504 PF00591 C7_S191 - (1)20 - / 22 / 33 8
53bsu1613065 43% 0.616 PF00290 C1_S153 - (24)20 - / 4 / 41 16
54bsu0028065 53% 0.613 PF01712 C2_S193 - (51)20 13 / 23 / 21 21
55bsu3690065 80% 0.849 PF00464 C1_S1101 - (50)16 - / 1 / 60 4
56bsu2674064 41% 0.528 PF00067 C4_S1118 - (0)7 56 / 1 / 3 1
57bsu2516063 39% 0.542 PF02401 C9_S1124 - (0)20 - / 3 / 76 14
58bsu3855063 50% 0.601 PF01063 C6_S1183 - (119)20 - / 12 / 62 0
59bsu4088062 54% 0.580 PF03372 C1_S1139 - (0)9 - / 9 / 23 1
60bsu2547062 88% 0.592 PF00012 C2_S165 - (0)20 7 / 28 / 10 9
61bsu1723062 40% 0.520 PF00067 C6_S1127 - (0)4 59 / - / - 1
62bsu0079062 52% 0.626 PF01288 C6_S1102 - (43)20 2 / 27 / 30 9
63bsu1502061 98% 0.501 PF01467 C2_S1138 - (86)20 - / 12 / 28 9
64bsu3393061 81% 0.876 PF00162 C5_S192 - (80)20 - / 26 / 24 9
65bsu0145061 53% 0.529 PF08402 C1_S146 - (0)13 - / 16 / 26 7
66bsu1884061 100% 0.890 PF00722 C8_S173 - (0)20 1 / 2 / 36 9
67bsu3034059 100% 0.669 PF13426 C2_S177 - (0)3 20 / 18 / 7 2
68bsu1963058 99% 0.595 PF01048 C3_S157 - (38)20 - / - / 50 17
69bsu2182058 98% 0.702 PF00303 C8_S175 - (41)18 - / 9 / 32 7
70bsu0822058 55% 0.482 PF00005 C2_S199 - (88)12 - / 27 / 12 5
71bsu1603057 46% 0.554 PF01746 C9_S161 - (20)20 - / 29 / 24 29
72bsu2566057 45% 0.553 PF08501 C6_S168 - (63)12 5 / 15 / 26 4
73bsu2839057 100% 0.547 PF01177 C3_S159 - (42)9 - / - / 43 4
74bsu3392056 69% 0.555 PF00121 C7_S153 - (30)20 - / - / 32 0
75bsu2975056 76% 0.544 PF00793 C2_S174 - (74)8 - / - / 38 4
76bsu4034056 78% 0.554 PF00202 C1_S184 - (55)12 - / 8 / 30 4
77bsu1549056 100% 0.625 PF02729 C8_S157 - (43)20 - / 20 / 13 8
78bsu3797056 100% 0.634 PF03167 C7_S193 - (0)20 - / 9 / 32 12
79bsu1221056 100% 0.569 PF00067 C6_S1117 - (0)8 41 / - / 5 1
80bsu1768055 100% 0.716 PF00303 C8_S172 - (38)18 - / 9 / 30 7
81bsu3019055 100% 0.559 PF00067 C5_S1150 - (0)5 33 / - / 2 1
82bsu1810055 70% 0.552 PF00521 C5_S1113 - (0)7 - / 2 / 40 0
83bsu2428054 48% 0.542 PF00348 C1_S179 - (68)20 - / 1 / 39 7
84bsu2376054 49% 0.564 PF00485 C3_S1132 - (37)20 5 / 33 / 6 17
85bsu1560054 54% 0.715 PF14306 C1_S1101 - (89)14 2 / 41 / 6 6
86bsu1461054 78% 0.581 PF02852 C2_S173 - (68)2 44 / 4 / - 1
87bsu1456054 66% 0.601 PF01327 C5_S1112 - (23)20 - / 8 / 24 8
88bsu1595053 54% 0.586 PF02978 C8_S170 - (0)15 4 / 13 / 16 4
89bsu1529053 100% 0.623 PF00091 C3_S156 - (0)10 1 / 30 / 13 5
90bsu3042053 44% 0.655 PF00005 C1_S139 - (0)12 - / 9 / 27 5
91bsu0113053 77% 0.566 PF03143 C1_S165 - (0)6 14 / 30 / 7 3
92bsu3061053 39% 0.566 PF08402 C1_S142 - (0)10 - / 6 / 27 5
93bsu0390053 47% 0.585 PF00202 C1_S161 - (32)10 - / 6 / 20 3
94bsu2244053 37% 0.517 PF03099 C5_S170 - (22)16 17 / 13 / 17 8
95bsu1653053 58% 0.608 PF01255 C4_S1111 - (32)20 6 / 25 / 24 15
96bsu0871052 51% 0.592 PF00202 C1_S192 - (38)20 - / - / 46 8
97bsu1677052 61% 0.622 PF00701 C4_S184 - (75)9 - / - / 15 3
98bsu0769052 52% 0.628 PF00557 C2_S181 - (0)20 - / - / 32 11
99bsu0821052 54% 0.468 PF00005 C1_S177 - (0)8 - / 19 / 21 5
100bsu1137052 38% 0.448 PF00005 C1_S153 - (0)9 - / 7 / 26 6

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