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]
50bsu1549056 100% 0.625 PF02729 C8_S157 - (43)20 - / 20 / 13 8
51bsu0091089 63% 0.585 PF02542 C10_S193 - (67)20 - / - / 68 7
52bsu3599045 44% 0.673 PF02525 C1_S1153 - (70)20 - / 6 / 8 1
53bsu1161022 59% 0.539 PF01513 C2_S141 - (32)20 - / 8 / 15 13
54bsu0068094 79% 0.560 PF00156 C3_S1122 - (55)20 2 / 30 / 45 11
55bsu1880082 72% 0.517 -C4_S1104 - (12)20 - / - / 52 23
56bsu3129068 54% 0.515 PF16657 C1_S1100 - (0)20 - / - / 51 9
57bsu3023071 100% 0.552 PF00202 C1_S1136 - (79)20 - / - / 54 6
58bsu1134045 100% 0.544 PF02801 C3_S153 - (5)20 - / 5 / 18 9
59bsu0079062 52% 0.626 PF01288 C6_S1102 - (43)20 2 / 27 / 30 9
60bsu2912067 85% 0.584 PF00056 C5_S1103 - (68)20 41 / 13 / 8 6
61bsu2971085 35% 0.543 PF00850 C2_S1145 - (0)20 - / 7 / 61 4
62bsu4032074 71% 0.595 PF00491 C7_S151 - (22)20 - / - / 32 12
63bsu0584066 50% 0.538 PF00232 C2_S195 - (73)20 - / - / 38 19
64bsu0028065 53% 0.613 PF01712 C2_S193 - (51)20 13 / 23 / 21 21
65bsu1824051 53% 0.589 PF02786 C1_S161 - (30)20 1 / 15 / 31 19
66bsu2771089 52% 0.600 PF01702 C5_S1102 - (37)20 2 / 27 / 45 44
67bsu3750043 100% 0.775 PF00891 C1_S194 - (52)19 4 / 27 / 18 7
68bsu2264085 61% 0.590 PF00291 C3_S184 - (75)19 7 / 13 / 44 10
69bsu23360105 75% 0.570 PF00160 C5_S1151 - (1)19 2 / 45 / 24 5
70bsu0009050 80% 0.573 PF00478 C2_S172 - (50)19 - / 18 / 26 7
71bsu3637038 52% 0.593 PF07977 C2_S123 - (0)18 - / - / 13 0
72bsu3778051 70% 0.554 PF00171 C4_S153 - (0)18 - / 17 / 15 6
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
75bsu2182058 98% 0.702 PF00303 C8_S175 - (41)18 - / 9 / 32 7
76bsu1768055 100% 0.716 PF00303 C8_S172 - (38)18 - / 9 / 30 7
77bsu1017040 45% 0.509 PF08541 C2_S152 - (31)18 - / 3 / 15 4
78bsu0046031 37% 0.507 PF00288 C1_S166 - (46)17 - / 6 / 13 6
79bsu1110040 55% 0.470 PF02868 C9_S139 - (0)17 - / 1 / 7 5
80bsu1470040 55% 0.470 PF02868 C8_S139 - (0)17 - / 1 / 7 5
81bsu0662032 69% 0.522 PF03119 C6_S134 - (20)17 - / 11 / 12 0
82bsu2812049 99% 0.673 PF00202 C1_S1102 - (40)17 - / - / 48 7
83bsu1809039 73% 0.555 PF01751 C3_S136 - (0)17 4 / 13 / 11 13
84bsu1133037 58% 0.542 PF08541 C2_S151 - (31)17 - / 6 / 13 3
85bsu2913043 100% 0.868 PF00180 C7_S156 - (52)17 - / 13 / 23 5
86bsu2274038 41% 0.619 PF00348 C1_S151 - (32)17 - / - / 23 6
87bsu0321049 90% 0.555 PF00171 C4_S153 - (0)17 - / 16 / 13 6
88bsu3690065 80% 0.849 PF00464 C1_S1101 - (50)16 - / 1 / 60 4
89bsu2726069 53% 0.627 PF00291 C2_S181 - (52)16 - / 4 / 50 6
90bsu0745043 48% 0.589 PF00107 C2_S172 - (51)16 25 / 2 / 9 3
91bsu2244053 37% 0.517 PF03099 C5_S170 - (22)16 17 / 13 / 17 8
92bsu0166025 100% 0.558 PF01915 C1_S134 - (15)16 - / - / 14 4
93bsu3213041 88% 0.640 PF00478 C2_S146 - (28)16 - / 3 / 17 3
94bsu0050049 51% 0.534 PF12804 C1_S158 - (37)16 - / 22 / 18 9
95bsu01370104 100% 0.604 PF05191 C3_S1153 - (137)15 76 / 27 / - 6
96bsu2716083 67% 0.579 PF00067 C3_S1157 - (31)15 82 / 2 / 10 5
97bsu3756037 52% 0.521 PF07973 C2_S127 - (11)15 4 / 15 / 4 8
98bsu3439029 97% 0.845 PF00135 C1_S1100 - (24)15 - / - / 11 0
99bsu2431034 53% 0.646 PF02882 C4_S144 - (32)15 2 / 15 / 15 6
100bsu1595053 54% 0.586 PF02978 C8_S170 - (0)15 4 / 13 / 16 4

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