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
51bsu4042047 79% 0.592 PF00709 C5_S191 - (67)20 - / 31 / 19 8
52bsu0006036 73% 0.601 PF01751 C3_S131 - (0)12 2 / 16 / 5 8
53bsu2244053 37% 0.517 PF03099 C5_S170 - (22)16 17 / 13 / 17 8
54bsu0078040 63% 0.593 PF02152 C5_S137 - (25)12 - / - / 22 8
55bsu0284066 57% 0.502 PF16657 C1_S1100 - (0)20 - / - / 44 8
56bsu2864032 79% 0.477 PF01409 C1_S126 - (13)11 - / 8 / 6 8
57bsu3756037 52% 0.521 PF07973 C2_S127 - (11)15 4 / 15 / 4 8
58bsu3784066 54% 0.528 PF00483 C1_S180 - (72)20 - / 15 / 39 8
59bsu2267066 43% 0.504 PF00591 C7_S191 - (1)20 - / 22 / 33 8
60bsu1577029 50% 0.489 PF00069 C1_S156 - (15)12 1 / 4 / 10 8
61bsu0871052 51% 0.592 PF00202 C1_S192 - (38)20 - / - / 46 8
62bsu1091051 54% 0.633 PF14306 C2_S183 - (76)13 2 / 36 / 5 8
63bsu3455027 100% 0.673 PF13419 C1_S122 - (11)13 - / 5 / 12 8
64bsu1456054 66% 0.601 PF01327 C5_S1112 - (23)20 - / 8 / 24 8
65bsu1311037 58% 0.546 PF02844 C7_S159 - (7)12 - / 23 / - 8
66bsu0248031 95% 0.580 PF00150 C1_S154 - (39)20 - / 3 / 14 7
67bsu2428054 48% 0.542 PF00348 C1_S179 - (68)20 - / 1 / 39 7
68bsu3198025 99% 0.810 PF13193 C4_S162 - (18)14 3 / 9 / 3 7
69bsu0763094 99% 0.574 PF02898 C7_S1335 - (0)20 90 / - / 10 7
70bsu0145061 53% 0.529 PF08402 C1_S146 - (0)13 - / 16 / 26 7
71bsu3502031 100% 0.656 PF01182 C4_S121 - (16)13 - / - / 18 7
72bsu2733025 54% 0.532 PF00485 C1_S148 - (35)14 4 / 9 / 8 7
73bsu0091089 63% 0.585 PF02542 C10_S193 - (67)20 - / - / 68 7
74bsu3390049 100% 0.592 PF03952 C1_S130 - (26)10 - / 1 / 24 7
75bsu0009050 80% 0.573 PF00478 C2_S172 - (50)19 - / 18 / 26 7
76bsu1147045 37% 0.545 PF08402 C1_S140 - (0)12 - / 7 / 21 7
77bsu1813032 99% 0.539 PF00150 C1_S159 - (42)20 - / 3 / 14 7
78bsu2564050 100% 0.636 PF01467 C1_S178 - (45)18 10 / 10 / 13 7
79bsu2182058 98% 0.702 PF00303 C8_S175 - (41)18 - / 9 / 32 7
80bsu2812049 99% 0.673 PF00202 C1_S1102 - (40)17 - / - / 48 7
81bsu2895032 72% 0.527 PF07973 C1_S127 - (9)15 1 / 6 / 15 7
82bsu3750043 100% 0.775 PF00891 C1_S194 - (52)19 4 / 27 / 18 7
83bsu3911066 100% 0.551 PF00271 C1_S157 - (0)13 3 / 17 / 29 7
84bsu0458072 48% 0.633 PF00271 C2_S169 - (0)14 7 / 22 / 29 7
85bsu1768055 100% 0.716 PF00303 C8_S172 - (38)18 - / 9 / 30 7
86bsu0743051 34% 0.613 PF00271 C4_S140 - (0)14 2 / 15 / 14 7
87bsu2495046 38% 0.502 PF00005 C1_S146 - (0)13 - / 7 / 30 7
88bsu3423030 47% 0.571 PF01041 C1_S145 - (0)12 1 / 2 / 13 6
89bsu3470043 43% 0.532 PF00005 C1_S127 - (0)11 - / 5 / 17 6
90bsu2530039 100% 0.636 PF00383 C3_S135 - (23)14 - / - / 31 6
91bsu2289029 62% 0.687 PF02224 C2_S133 - (27)13 1 / 10 / 9 6
92bsu01370104 100% 0.604 PF05191 C3_S1153 - (137)15 76 / 27 / - 6
93bsu1125047 60% 0.581 PF02729 C5_S165 - (46)14 - / 9 / 22 6
94bsu0236034 50% 0.635 PF01182 C5_S122 - (17)13 - / - / 17 6
95bsu4008027 58% 0.576 PF03446 C3_S127 - (14)10 - / 1 / 11 6
96bsu2496034 38% 0.527 PF00005 C1_S121 - (0)10 - / 5 / 13 6
97bsu0645031 68% 0.470 PF01259 C3_S160 - (45)11 - / 19 / 11 6
98bsu2521020 65% 0.591 PF01807 C3_S115 - (0)10 - / 7 / 5 6
99bsu1560054 54% 0.715 PF14306 C1_S1101 - (89)14 2 / 41 / 6 6
100bsu2912067 85% 0.584 PF00056 C5_S1103 - (68)20 41 / 13 / 8 6

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