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]
100bsu3423030 47% 0.571 PF01041 C1_S145 - (0)12 1 / 2 / 13 6
101bsu2405034 44% 0.544 PF00676 C4_S131 - (20)8 - / 11 / 9 6
102bsu2274038 41% 0.619 PF00348 C1_S151 - (32)17 - / - / 23 6
103bsu0236034 50% 0.635 PF01182 C5_S122 - (17)13 - / - / 17 6
104bsu0177020 79% 0.598 PF00408 C3_S115 - (14)8 - / - / 7 6
105bsu0046031 37% 0.507 PF00288 C1_S166 - (46)17 - / 6 / 13 6
106bsu2912067 85% 0.584 PF00056 C5_S1103 - (68)20 41 / 13 / 8 6
107bsu3023071 100% 0.552 PF00202 C1_S1136 - (79)20 - / - / 54 6
108bsu2741028 50% 0.437 PF07973 C1_S127 - (21)14 3 / 6 / 8 6
109bsu1560054 54% 0.715 PF14306 C1_S1101 - (89)14 2 / 41 / 6 6
110bsu2496034 38% 0.527 PF00005 C1_S121 - (0)10 - / 5 / 13 6
111bsu0321049 90% 0.555 PF00171 C4_S153 - (0)17 - / 16 / 13 6
112bsu0869038 61% 0.408 PF00005 C2_S132 - (0)9 - / 18 / 4 6
113bsu3470043 43% 0.532 PF00005 C1_S127 - (0)11 - / 5 / 17 6
114bsu4008027 58% 0.576 PF03446 C3_S127 - (14)10 - / 1 / 11 6
115bsu1137052 38% 0.448 PF00005 C1_S153 - (0)9 - / 7 / 26 6
116bsu2521020 65% 0.591 PF01807 C3_S115 - (0)10 - / 7 / 5 6
117bsu0013032 59% 0.413 PF00587 C3_S142 - (36)10 - / 16 / 9 6
118bsu01370104 100% 0.604 PF05191 C3_S1153 - (137)15 76 / 27 / - 6
119bsu2997067 58% 0.555 PF00291 C3_S168 - (46)15 - / 5 / 48 6
120bsu3583020 52% 0.395 PF00083 C1_S124 - (0)6 - / - / 9 5
121bsu1188034 51% 0.605 PF01053 C1_S122 - (16)12 - / 1 / 16 5
122bsu0883039 40% 0.668 PF08402 C1_S125 - (0)12 - / 1 / 17 5
123bsu2266023 48% 0.470 PF00218 C1_S113 - (5)10 - / 5 / 4 5
124bsu0967022 44% 0.560 PF01063 C8_S151 - (39)12 - / 8 / 14 5
125bsu3488024 44% 0.693 PF00977 C1_S129 - (0)9 2 / 5 / 4 5
126bsu3021018 39% 0.486 PF00155 C1_S120 - (16)10 - / - / 11 5
127bsu0643031 61% 0.595 PF02222 C2_S149 - (36)9 - / 12 / 10 5
128bsu1818043 50% 0.478 PF00483 C1_S178 - (70)15 - / 14 / 22 5
129bsu3881047 53% 0.495 PF08402 C2_S133 - (0)10 - / 7 / 20 5
130bsu1830029 43% 0.536 PF00550 C1_S143 - (24)7 - / 13 / 1 5
131bsu2716083 67% 0.579 PF00067 C3_S1157 - (31)15 82 / 2 / 10 5
132bsu2236023 46% 0.520 PF01336 C7_S122 - (16)10 - / 9 / 1 5
133bsu2743039 62% 0.613 PF08402 C1_S142 - (0)12 - / 21 / 7 5
134bsu3022023 38% 0.485 PF00155 C1_S133 - (21)9 - / - / 10 5
135bsu1470040 55% 0.470 PF02868 C8_S139 - (0)17 - / 1 / 7 5
136bsu3255046 52% 0.530 PF08402 C1_S142 - (0)12 - / 18 / 7 5
137bsu2396034 64% 0.544 PF08402 C1_S129 - (0)12 - / 16 / 9 5
138bsu0821052 54% 0.468 PF00005 C1_S177 - (0)8 - / 19 / 21 5
139bsu4011022 65% 0.601 PF00232 C2_S188 - (72)11 - / 4 / 7 5
140bsu0382025 35% 0.540 PF00005 C1_S119 - (0)7 - / 7 / 8 5
141bsu1694036 69% 0.607 PF00154 C1_S142 - (0)11 - / 17 / 8 5
142bsu0223020 56% 0.531 PF02222 C1_S154 - (39)11 - / 7 / 13 5
143bsu23360105 75% 0.570 PF00160 C5_S1151 - (1)19 2 / 45 / 24 5
144bsu3689046 84% 0.544 PF14681 C6_S149 - (38)12 - / 10 / 21 5
145bsu3866030 35% 0.477 PF00005 C1_S132 - (0)10 - / 11 / 5 5
146bsu1110040 55% 0.470 PF02868 C9_S139 - (0)17 - / 1 / 7 5
147bsu2913043 100% 0.868 PF00180 C7_S156 - (52)17 - / 13 / 23 5
148bsu0178030 71% 0.566 PF01380 C2_S118 - (15)10 - / - / 11 5
149bsu1529053 100% 0.623 PF00091 C3_S156 - (0)10 1 / 30 / 13 5
150bsu3155038 34% 0.383 PF00005 C5_S138 - (0)8 - / - / 20 5

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