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]
50bsu1655072 44% 0.472 PF13288 C3_S1118 - (55)20 7 / 41 / 28 18
51bsu2273081 72% 0.639 PF00334 C7_S177 - (76)20 - / 45 / 31 12
52bsu0341066 42% 0.503 PF00232 C3_S174 - (58)20 - / 1 / 40 22
53bsu1486068 82% 0.531 PF02786 C2_S160 - (28)20 2 / 17 / 28 19
54bsu1760075 76% 0.568 PF01261 C3_S176 - (67)20 - / - / 40 15
55bsu2771089 52% 0.600 PF01702 C5_S1102 - (37)20 2 / 27 / 45 44
56bsu2971085 35% 0.543 PF00850 C2_S1145 - (0)20 - / 7 / 61 4
57bsu2912067 85% 0.584 PF00056 C5_S1103 - (68)20 41 / 13 / 8 6
58bsu0965068 40% 0.552 PF02146 C3_S1172 - (0)20 18 / 27 / 17 15
59bsu3599045 44% 0.673 PF02525 C1_S1153 - (70)20 - / 6 / 8 1
60bsu2547062 88% 0.592 PF00012 C2_S165 - (0)20 7 / 28 / 10 9
61bsu4032074 71% 0.595 PF00491 C7_S151 - (22)20 - / - / 32 12
62bsu3784066 54% 0.528 PF00483 C1_S180 - (72)20 - / 15 / 39 8
63bsu3392056 69% 0.555 PF00121 C7_S153 - (30)20 - / - / 32 0
64bsu1824051 53% 0.589 PF02786 C1_S161 - (30)20 1 / 15 / 31 19
65bsu1549056 100% 0.625 PF02729 C8_S157 - (43)20 - / 20 / 13 8
66bsu3129068 54% 0.515 PF16657 C1_S1100 - (0)20 - / - / 51 9
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
69bsu0009050 80% 0.573 PF00478 C2_S172 - (50)19 - / 18 / 26 7
70bsu23360105 75% 0.570 PF00160 C5_S1151 - (1)19 2 / 45 / 24 5
71bsu1017040 45% 0.509 PF08541 C2_S152 - (31)18 - / 3 / 15 4
72bsu2564050 100% 0.636 PF01467 C1_S178 - (45)18 10 / 10 / 13 7
73bsu2813038 51% 0.641 PF00490 C8_S139 - (22)18 - / 1 / 27 2
74bsu2182058 98% 0.702 PF00303 C8_S175 - (41)18 - / 9 / 32 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
78bsu2812049 99% 0.673 PF00202 C1_S1102 - (40)17 - / - / 48 7
79bsu0046031 37% 0.507 PF00288 C1_S166 - (46)17 - / 6 / 13 6
80bsu1809039 73% 0.555 PF01751 C3_S136 - (0)17 4 / 13 / 11 13
81bsu1133037 58% 0.542 PF08541 C2_S151 - (31)17 - / 6 / 13 3
82bsu2913043 100% 0.868 PF00180 C7_S156 - (52)17 - / 13 / 23 5
83bsu2274038 41% 0.619 PF00348 C1_S151 - (32)17 - / - / 23 6
84bsu0662032 69% 0.522 PF03119 C6_S134 - (20)17 - / 11 / 12 0
85bsu1110040 55% 0.470 PF02868 C9_S139 - (0)17 - / 1 / 7 5
86bsu0321049 90% 0.555 PF00171 C4_S153 - (0)17 - / 16 / 13 6
87bsu1470040 55% 0.470 PF02868 C8_S139 - (0)17 - / 1 / 7 5
88bsu0745043 48% 0.589 PF00107 C2_S172 - (51)16 25 / 2 / 9 3
89bsu0050049 51% 0.534 PF12804 C1_S158 - (37)16 - / 22 / 18 9
90bsu0166025 100% 0.558 PF01915 C1_S134 - (15)16 - / - / 14 4
91bsu3690065 80% 0.849 PF00464 C1_S1101 - (50)16 - / 1 / 60 4
92bsu3213041 88% 0.640 PF00478 C2_S146 - (28)16 - / 3 / 17 3
93bsu2244053 37% 0.517 PF03099 C5_S170 - (22)16 17 / 13 / 17 8
94bsu2726069 53% 0.627 PF00291 C2_S181 - (52)16 - / 4 / 50 6
95bsu3439029 97% 0.845 PF00135 C1_S1100 - (24)15 - / - / 11 0
96bsu2831022 47% 0.594 PF02776 C5_S182 - (38)15 12 / 4 / 10 4
97bsu2431034 53% 0.646 PF02882 C4_S144 - (32)15 2 / 15 / 15 6
98bsu3756037 52% 0.521 PF07973 C2_S127 - (11)15 4 / 15 / 4 8
99bsu0859020 44% 0.468 PF00561 C1_S158 - (7)15 - / 2 / 10 3
100bsu1734072 100% 0.514 PF01423 C5_S187 - (0)15 - / - / 48 4

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