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]
100bsu2274038 41% 0.619 PF00348 C1_S151 - (32)17 - / - / 23 6
101bsu2726069 53% 0.627 PF00291 C2_S181 - (52)16 - / 4 / 50 6
102bsu1146045 39% 0.558 PF00005 C1_S146 - (0)10 - / 1 / 26 6
103bsu1125047 60% 0.581 PF02729 C5_S165 - (46)14 - / 9 / 22 6
104bsu0645031 68% 0.470 PF01259 C3_S160 - (45)11 - / 19 / 11 6
105bsu22420105 51% 0.626 PF02569 C4_S1308 - (241)20 13 / 44 / 26 6
106bsu01370104 100% 0.604 PF05191 C3_S1153 - (137)15 76 / 27 / - 6
107bsu1560054 54% 0.715 PF14306 C1_S1101 - (89)14 2 / 41 / 6 6
108bsu0869038 61% 0.408 PF00005 C2_S132 - (0)9 - / 18 / 4 6
109bsu0321049 90% 0.555 PF00171 C4_S153 - (0)17 - / 16 / 13 6
110bsu2997067 58% 0.555 PF00291 C3_S168 - (46)15 - / 5 / 48 6
111bsu1137052 38% 0.448 PF00005 C1_S153 - (0)9 - / 7 / 26 6
112bsu3778051 70% 0.554 PF00171 C4_S153 - (0)18 - / 17 / 15 6
113bsu2530039 100% 0.636 PF00383 C3_S135 - (23)14 - / - / 31 6
114bsu1225048 35% 0.468 PF08402 C1_S145 - (0)13 - / 24 / 10 6
115bsu0046031 37% 0.507 PF00288 C1_S166 - (46)17 - / 6 / 13 6
116bsu2431034 53% 0.646 PF02882 C4_S144 - (32)15 2 / 15 / 15 6
117bsu2289029 62% 0.687 PF02224 C2_S133 - (27)13 1 / 10 / 9 6
118bsu2521020 65% 0.591 PF01807 C3_S115 - (0)10 - / 7 / 5 6
119bsu3470043 43% 0.532 PF00005 C1_S127 - (0)11 - / 5 / 17 6
120bsu1110040 55% 0.470 PF02868 C9_S139 - (0)17 - / 1 / 7 5
121bsu0643031 61% 0.595 PF02222 C2_S149 - (36)9 - / 12 / 10 5
122bsu3155038 34% 0.383 PF00005 C5_S138 - (0)8 - / - / 20 5
123bsu1568038 69% 0.564 PF00625 C3_S146 - (34)14 3 / 15 / 10 5
124bsu3866030 35% 0.477 PF00005 C1_S132 - (0)10 - / 11 / 5 5
125bsu0822058 55% 0.482 PF00005 C2_S199 - (88)12 - / 27 / 12 5
126bsu3881047 53% 0.495 PF08402 C2_S133 - (0)10 - / 7 / 20 5
127bsu0725083 66% 0.549 PF00067 C3_S1157 - (29)14 82 / 1 / 11 5
128bsu3940024 73% 0.545 PF07831 C9_S127 - (3)10 - / - / 12 5
129bsu2913043 100% 0.868 PF00180 C7_S156 - (52)17 - / 13 / 23 5
130bsu3488024 44% 0.693 PF00977 C1_S129 - (0)9 2 / 5 / 4 5
131bsu2934033 54% 0.650 PF08402 C1_S126 - (0)12 - / 15 / 7 5
132bsu0313033 100% 0.789 PF02540 C5_S166 - (59)12 - / 14 / 16 5
133bsu3526041 40% 0.554 PF08402 C1_S123 - (0)10 - / 14 / 7 5
134bsu2236023 46% 0.520 PF01336 C7_S122 - (16)10 - / 9 / 1 5
135bsu1188034 51% 0.605 PF01053 C1_S122 - (16)12 - / 1 / 16 5
136bsu0821052 54% 0.468 PF00005 C1_S177 - (0)8 - / 19 / 21 5
137bsu0178030 71% 0.566 PF01380 C2_S118 - (15)10 - / - / 11 5
138bsu2266023 48% 0.470 PF00218 C1_S113 - (5)10 - / 5 / 4 5
139bsu3022023 38% 0.485 PF00155 C1_S133 - (21)9 - / - / 10 5
140bsu1830029 43% 0.536 PF00550 C1_S143 - (24)7 - / 13 / 1 5
141bsu23360105 75% 0.570 PF00160 C5_S1151 - (1)19 2 / 45 / 24 5
142bsu2743039 62% 0.613 PF08402 C1_S142 - (0)12 - / 21 / 7 5
143bsu0359038 59% 0.553 PF08402 C1_S131 - (0)10 - / 16 / 14 5
144bsu1529053 100% 0.623 PF00091 C3_S156 - (0)10 1 / 30 / 13 5
145bsu4011022 65% 0.601 PF00232 C2_S188 - (72)11 - / 4 / 7 5
146bsu3255046 52% 0.530 PF08402 C1_S142 - (0)12 - / 18 / 7 5
147bsu0382025 35% 0.540 PF00005 C1_S119 - (0)7 - / 7 / 8 5
148bsu3061053 39% 0.566 PF08402 C1_S142 - (0)10 - / 6 / 27 5
149bsu1818043 50% 0.478 PF00483 C1_S178 - (70)15 - / 14 / 22 5
150bsu3076040 35% 0.578 PF00005 C1_S133 - (0)11 - / 1 / 21 5

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