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]
50bsu0763094 99% 0.574 PF02898 C7_S1335 - (0)20 90 / - / 10 7
51bsu2516063 39% 0.542 PF02401 C9_S1124 - (0)20 - / 3 / 76 14
52bsu0068094 79% 0.560 PF00156 C3_S1122 - (55)20 2 / 30 / 45 11
53bsu3797056 100% 0.634 PF03167 C7_S193 - (0)20 - / 9 / 32 12
54bsu2308051 55% 0.652 PF01487 C4_S157 - (40)20 - / - / 40 9
55bsu1963058 99% 0.595 PF01048 C3_S157 - (38)20 - / - / 50 17
56bsu0028065 53% 0.613 PF01712 C2_S193 - (51)20 13 / 23 / 21 21
57bsu1880082 72% 0.517 -C4_S1104 - (12)20 - / - / 52 23
58bsu2727077 73% 0.621 PF01048 C1_S1117 - (62)20 - / 52 / 19 16
59bsu2947035 58% 0.647 PF00871 C6_S157 - (51)20 2 / 15 / 12 12
60bsu0584066 50% 0.538 PF00232 C2_S195 - (73)20 - / - / 38 19
61bsu1813032 99% 0.539 PF00150 C1_S159 - (42)20 - / 3 / 14 7
62bsu1456054 66% 0.601 PF01327 C5_S1112 - (23)20 - / 8 / 24 8
63bsu0871052 51% 0.592 PF00202 C1_S192 - (38)20 - / - / 46 8
64bsu1675036 58% 0.592 PF02774 C2_S169 - (35)20 12 / 12 / 14 9
65bsu1824051 53% 0.589 PF02786 C1_S161 - (30)20 1 / 15 / 31 19
66bsu1549056 100% 0.625 PF02729 C8_S157 - (43)20 - / 20 / 13 8
67bsu23360105 75% 0.570 PF00160 C5_S1151 - (1)19 2 / 45 / 24 5
68bsu2264085 61% 0.590 PF00291 C3_S184 - (75)19 7 / 13 / 44 10
69bsu3750043 100% 0.775 PF00891 C1_S194 - (52)19 4 / 27 / 18 7
70bsu0009050 80% 0.573 PF00478 C2_S172 - (50)19 - / 18 / 26 7
71bsu2182058 98% 0.702 PF00303 C8_S175 - (41)18 - / 9 / 32 7
72bsu1017040 45% 0.509 PF08541 C2_S152 - (31)18 - / 3 / 15 4
73bsu2813038 51% 0.641 PF00490 C8_S139 - (22)18 - / 1 / 27 2
74bsu2564050 100% 0.636 PF01467 C1_S178 - (45)18 10 / 10 / 13 7
75bsu3637038 52% 0.593 PF07977 C2_S123 - (0)18 - / - / 13 0
76bsu1768055 100% 0.716 PF00303 C8_S172 - (38)18 - / 9 / 30 7
77bsu3778051 70% 0.554 PF00171 C4_S153 - (0)18 - / 17 / 15 6
78bsu0321049 90% 0.555 PF00171 C4_S153 - (0)17 - / 16 / 13 6
79bsu1809039 73% 0.555 PF01751 C3_S136 - (0)17 4 / 13 / 11 13
80bsu0046031 37% 0.507 PF00288 C1_S166 - (46)17 - / 6 / 13 6
81bsu0662032 69% 0.522 PF03119 C6_S134 - (20)17 - / 11 / 12 0
82bsu2913043 100% 0.868 PF00180 C7_S156 - (52)17 - / 13 / 23 5
83bsu1133037 58% 0.542 PF08541 C2_S151 - (31)17 - / 6 / 13 3
84bsu2812049 99% 0.673 PF00202 C1_S1102 - (40)17 - / - / 48 7
85bsu1470040 55% 0.470 PF02868 C8_S139 - (0)17 - / 1 / 7 5
86bsu1110040 55% 0.470 PF02868 C9_S139 - (0)17 - / 1 / 7 5
87bsu2274038 41% 0.619 PF00348 C1_S151 - (32)17 - / - / 23 6
88bsu0050049 51% 0.534 PF12804 C1_S158 - (37)16 - / 22 / 18 9
89bsu3690065 80% 0.849 PF00464 C1_S1101 - (50)16 - / 1 / 60 4
90bsu3213041 88% 0.640 PF00478 C2_S146 - (28)16 - / 3 / 17 3
91bsu2726069 53% 0.627 PF00291 C2_S181 - (52)16 - / 4 / 50 6
92bsu0166025 100% 0.558 PF01915 C1_S134 - (15)16 - / - / 14 4
93bsu0745043 48% 0.589 PF00107 C2_S172 - (51)16 25 / 2 / 9 3
94bsu2244053 37% 0.517 PF03099 C5_S170 - (22)16 17 / 13 / 17 8
95bsu2997067 58% 0.555 PF00291 C3_S168 - (46)15 - / 5 / 48 6
96bsu2716083 67% 0.579 PF00067 C3_S1157 - (31)15 82 / 2 / 10 5
97bsu0456070 50% 0.572 PF01820 C1_S1109 - (82)15 2 / 35 / 21 4
98bsu2831022 47% 0.594 PF02776 C5_S182 - (38)15 12 / 4 / 10 4
99bsu01370104 100% 0.604 PF05191 C3_S1153 - (137)15 76 / 27 / - 6
100bsu0269044 59% 0.593 PF00710 C8_S143 - (37)15 - / - / 19 4

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