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]
50bsu1456054 66% 0.601 PF01327 C5_S1112 - (23)20 - / 8 / 24 8
51bsu0078040 63% 0.593 PF02152 C5_S137 - (25)12 - / - / 22 8
52bsu2244053 37% 0.517 PF03099 C5_S170 - (22)16 17 / 13 / 17 8
53bsu1549056 100% 0.625 PF02729 C8_S157 - (43)20 - / 20 / 13 8
54bsu2267066 43% 0.504 PF00591 C7_S191 - (1)20 - / 22 / 33 8
55bsu3756037 52% 0.521 PF07973 C2_S127 - (11)15 4 / 15 / 4 8
56bsu1311037 58% 0.546 PF02844 C7_S159 - (7)12 - / 23 / - 8
57bsu3455027 100% 0.673 PF13419 C1_S122 - (11)13 - / 5 / 12 8
58bsu1577029 50% 0.489 PF00069 C1_S156 - (15)12 1 / 4 / 10 8
59bsu2864032 79% 0.477 PF01409 C1_S126 - (13)11 - / 8 / 6 8
60bsu0284066 57% 0.502 PF16657 C1_S1100 - (0)20 - / - / 44 8
61bsu3784066 54% 0.528 PF00483 C1_S180 - (72)20 - / 15 / 39 8
62bsu0871052 51% 0.592 PF00202 C1_S192 - (38)20 - / - / 46 8
63bsu1091051 54% 0.633 PF14306 C2_S183 - (76)13 2 / 36 / 5 8
64bsu0006036 73% 0.601 PF01751 C3_S131 - (0)12 2 / 16 / 5 8
65bsu4042047 79% 0.592 PF00709 C5_S191 - (67)20 - / 31 / 19 8
66bsu2564050 100% 0.636 PF01467 C1_S178 - (45)18 10 / 10 / 13 7
67bsu0763094 99% 0.574 PF02898 C7_S1335 - (0)20 90 / - / 10 7
68bsu1813032 99% 0.539 PF00150 C1_S159 - (42)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
71bsu2812049 99% 0.673 PF00202 C1_S1102 - (40)17 - / - / 48 7
72bsu3750043 100% 0.775 PF00891 C1_S194 - (52)19 4 / 27 / 18 7
73bsu0248031 95% 0.580 PF00150 C1_S154 - (39)20 - / 3 / 14 7
74bsu3911066 100% 0.551 PF00271 C1_S157 - (0)13 3 / 17 / 29 7
75bsu0458072 48% 0.633 PF00271 C2_S169 - (0)14 7 / 22 / 29 7
76bsu3502031 100% 0.656 PF01182 C4_S121 - (16)13 - / - / 18 7
77bsu0145061 53% 0.529 PF08402 C1_S146 - (0)13 - / 16 / 26 7
78bsu1147045 37% 0.545 PF08402 C1_S140 - (0)12 - / 7 / 21 7
79bsu2428054 48% 0.542 PF00348 C1_S179 - (68)20 - / 1 / 39 7
80bsu0091089 63% 0.585 PF02542 C10_S193 - (67)20 - / - / 68 7
81bsu2733025 54% 0.532 PF00485 C1_S148 - (35)14 4 / 9 / 8 7
82bsu0009050 80% 0.573 PF00478 C2_S172 - (50)19 - / 18 / 26 7
83bsu2182058 98% 0.702 PF00303 C8_S175 - (41)18 - / 9 / 32 7
84bsu1768055 100% 0.716 PF00303 C8_S172 - (38)18 - / 9 / 30 7
85bsu2495046 38% 0.502 PF00005 C1_S146 - (0)13 - / 7 / 30 7
86bsu3198025 99% 0.810 PF13193 C4_S162 - (18)14 3 / 9 / 3 7
87bsu2895032 72% 0.527 PF07973 C1_S127 - (9)15 1 / 6 / 15 7
88bsu0645031 68% 0.470 PF01259 C3_S160 - (45)11 - / 19 / 11 6
89bsu2530039 100% 0.636 PF00383 C3_S135 - (23)14 - / - / 31 6
90bsu0013032 59% 0.413 PF00587 C3_S142 - (36)10 - / 16 / 9 6
91bsu22420105 51% 0.626 PF02569 C4_S1308 - (241)20 13 / 44 / 26 6
92bsu0177020 79% 0.598 PF00408 C3_S115 - (14)8 - / - / 7 6
93bsu2726069 53% 0.627 PF00291 C2_S181 - (52)16 - / 4 / 50 6
94bsu0082035 79% 0.534 PF01336 C5_S142 - (28)14 - / 11 / 6 6
95bsu1137052 38% 0.448 PF00005 C1_S153 - (0)9 - / 7 / 26 6
96bsu0869038 61% 0.408 PF00005 C2_S132 - (0)9 - / 18 / 4 6
97bsu2521020 65% 0.591 PF01807 C3_S115 - (0)10 - / 7 / 5 6
98bsu2405034 44% 0.544 PF00676 C4_S131 - (20)8 - / 11 / 9 6
99bsu2997067 58% 0.555 PF00291 C3_S168 - (46)15 - / 5 / 48 6
100bsu2274038 41% 0.619 PF00348 C1_S151 - (32)17 - / - / 23 6

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