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]
50bsu0006036 73% 0.601 PF01751 C3_S131 - (0)12 2 / 16 / 5 8
51bsu1577029 50% 0.489 PF00069 C1_S156 - (15)12 1 / 4 / 10 8
52bsu1091051 54% 0.633 PF14306 C2_S183 - (76)13 2 / 36 / 5 8
53bsu1311037 58% 0.546 PF02844 C7_S159 - (7)12 - / 23 / - 8
54bsu0871052 51% 0.592 PF00202 C1_S192 - (38)20 - / - / 46 8
55bsu0078040 63% 0.593 PF02152 C5_S137 - (25)12 - / - / 22 8
56bsu0284066 57% 0.502 PF16657 C1_S1100 - (0)20 - / - / 44 8
57bsu2244053 37% 0.517 PF03099 C5_S170 - (22)16 17 / 13 / 17 8
58bsu1456054 66% 0.601 PF01327 C5_S1112 - (23)20 - / 8 / 24 8
59bsu2864032 79% 0.477 PF01409 C1_S126 - (13)11 - / 8 / 6 8
60bsu4042047 79% 0.592 PF00709 C5_S191 - (67)20 - / 31 / 19 8
61bsu3784066 54% 0.528 PF00483 C1_S180 - (72)20 - / 15 / 39 8
62bsu1549056 100% 0.625 PF02729 C8_S157 - (43)20 - / 20 / 13 8
63bsu3756037 52% 0.521 PF07973 C2_S127 - (11)15 4 / 15 / 4 8
64bsu3455027 100% 0.673 PF13419 C1_S122 - (11)13 - / 5 / 12 8
65bsu2267066 43% 0.504 PF00591 C7_S191 - (1)20 - / 22 / 33 8
66bsu1768055 100% 0.716 PF00303 C8_S172 - (38)18 - / 9 / 30 7
67bsu2495046 38% 0.502 PF00005 C1_S146 - (0)13 - / 7 / 30 7
68bsu0248031 95% 0.580 PF00150 C1_S154 - (39)20 - / 3 / 14 7
69bsu3390049 100% 0.592 PF03952 C1_S130 - (26)10 - / 1 / 24 7
70bsu0743051 34% 0.613 PF00271 C4_S140 - (0)14 2 / 15 / 14 7
71bsu2733025 54% 0.532 PF00485 C1_S148 - (35)14 4 / 9 / 8 7
72bsu3750043 100% 0.775 PF00891 C1_S194 - (52)19 4 / 27 / 18 7
73bsu0763094 99% 0.574 PF02898 C7_S1335 - (0)20 90 / - / 10 7
74bsu3198025 99% 0.810 PF13193 C4_S162 - (18)14 3 / 9 / 3 7
75bsu3502031 100% 0.656 PF01182 C4_S121 - (16)13 - / - / 18 7
76bsu2564050 100% 0.636 PF01467 C1_S178 - (45)18 10 / 10 / 13 7
77bsu0009050 80% 0.573 PF00478 C2_S172 - (50)19 - / 18 / 26 7
78bsu3911066 100% 0.551 PF00271 C1_S157 - (0)13 3 / 17 / 29 7
79bsu0091089 63% 0.585 PF02542 C10_S193 - (67)20 - / - / 68 7
80bsu0145061 53% 0.529 PF08402 C1_S146 - (0)13 - / 16 / 26 7
81bsu0458072 48% 0.633 PF00271 C2_S169 - (0)14 7 / 22 / 29 7
82bsu2182058 98% 0.702 PF00303 C8_S175 - (41)18 - / 9 / 32 7
83bsu2428054 48% 0.542 PF00348 C1_S179 - (68)20 - / 1 / 39 7
84bsu2812049 99% 0.673 PF00202 C1_S1102 - (40)17 - / - / 48 7
85bsu1147045 37% 0.545 PF08402 C1_S140 - (0)12 - / 7 / 21 7
86bsu2895032 72% 0.527 PF07973 C1_S127 - (9)15 1 / 6 / 15 7
87bsu1813032 99% 0.539 PF00150 C1_S159 - (42)20 - / 3 / 14 7
88bsu0645031 68% 0.470 PF01259 C3_S160 - (45)11 - / 19 / 11 6
89bsu0082035 79% 0.534 PF01336 C5_S142 - (28)14 - / 11 / 6 6
90bsu22420105 51% 0.626 PF02569 C4_S1308 - (241)20 13 / 44 / 26 6
91bsu0236034 50% 0.635 PF01182 C5_S122 - (17)13 - / - / 17 6
92bsu2741028 50% 0.437 PF07973 C1_S127 - (21)14 3 / 6 / 8 6
93bsu2521020 65% 0.591 PF01807 C3_S115 - (0)10 - / 7 / 5 6
94bsu0869038 61% 0.408 PF00005 C2_S132 - (0)9 - / 18 / 4 6
95bsu1225048 35% 0.468 PF08402 C1_S145 - (0)13 - / 24 / 10 6
96bsu01370104 100% 0.604 PF05191 C3_S1153 - (137)15 76 / 27 / - 6
97bsu0013032 59% 0.413 PF00587 C3_S142 - (36)10 - / 16 / 9 6
98bsu0177020 79% 0.598 PF00408 C3_S115 - (14)8 - / - / 7 6
99bsu3470043 43% 0.532 PF00005 C1_S127 - (0)11 - / 5 / 17 6
100bsu1146045 39% 0.558 PF00005 C1_S146 - (0)10 - / 1 / 26 6

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