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]
100bsu0013032 59% 0.413 PF00587 C3_S142 - (36)10 - / 16 / 9 6
101bsu3423030 47% 0.571 PF01041 C1_S145 - (0)12 1 / 2 / 13 6
102bsu1146045 39% 0.558 PF00005 C1_S146 - (0)10 - / 1 / 26 6
103bsu0869038 61% 0.408 PF00005 C2_S132 - (0)9 - / 18 / 4 6
104bsu2274038 41% 0.619 PF00348 C1_S151 - (32)17 - / - / 23 6
105bsu0177020 79% 0.598 PF00408 C3_S115 - (14)8 - / - / 7 6
106bsu2521020 65% 0.591 PF01807 C3_S115 - (0)10 - / 7 / 5 6
107bsu3023071 100% 0.552 PF00202 C1_S1136 - (79)20 - / - / 54 6
108bsu2997067 58% 0.555 PF00291 C3_S168 - (46)15 - / 5 / 48 6
109bsu1137052 38% 0.448 PF00005 C1_S153 - (0)9 - / 7 / 26 6
110bsu2912067 85% 0.584 PF00056 C5_S1103 - (68)20 41 / 13 / 8 6
111bsu0645031 68% 0.470 PF01259 C3_S160 - (45)11 - / 19 / 11 6
112bsu0321049 90% 0.555 PF00171 C4_S153 - (0)17 - / 16 / 13 6
113bsu2496034 38% 0.527 PF00005 C1_S121 - (0)10 - / 5 / 13 6
114bsu2431034 53% 0.646 PF02882 C4_S144 - (32)15 2 / 15 / 15 6
115bsu22420105 51% 0.626 PF02569 C4_S1308 - (241)20 13 / 44 / 26 6
116bsu0082035 79% 0.534 PF01336 C5_S142 - (28)14 - / 11 / 6 6
117bsu0236034 50% 0.635 PF01182 C5_S122 - (17)13 - / - / 17 6
118bsu4008027 58% 0.576 PF03446 C3_S127 - (14)10 - / 1 / 11 6
119bsu2405034 44% 0.544 PF00676 C4_S131 - (20)8 - / 11 / 9 6
120bsu2743039 62% 0.613 PF08402 C1_S142 - (0)12 - / 21 / 7 5
121bsu3881047 53% 0.495 PF08402 C2_S133 - (0)10 - / 7 / 20 5
122bsu1300050 36% 0.497 PF00005 C1_S144 - (0)9 - / 5 / 22 5
123bsu1529053 100% 0.623 PF00091 C3_S156 - (0)10 1 / 30 / 13 5
124bsu1470040 55% 0.470 PF02868 C8_S139 - (0)17 - / 1 / 7 5
125bsu2934033 54% 0.650 PF08402 C1_S126 - (0)12 - / 15 / 7 5
126bsu2396034 64% 0.544 PF08402 C1_S129 - (0)12 - / 16 / 9 5
127bsu0821052 54% 0.468 PF00005 C1_S177 - (0)8 - / 19 / 21 5
128bsu0822058 55% 0.482 PF00005 C2_S199 - (88)12 - / 27 / 12 5
129bsu3042053 44% 0.655 PF00005 C1_S139 - (0)12 - / 9 / 27 5
130bsu3866030 35% 0.477 PF00005 C1_S132 - (0)10 - / 11 / 5 5
131bsu1841048 100% 0.612 PF01019 C3_S143 - (24)7 - / - / 22 5
132bsu3583020 52% 0.395 PF00083 C1_S124 - (0)6 - / - / 9 5
133bsu3076040 35% 0.578 PF00005 C1_S133 - (0)11 - / 1 / 21 5
134bsu1818043 50% 0.478 PF00483 C1_S178 - (70)15 - / 14 / 22 5
135bsu3395018 100% 0.633 PF04198 C3_S136 - (15)8 - / - / 9 5
136bsu0883039 40% 0.668 PF08402 C1_S125 - (0)12 - / 1 / 17 5
137bsu0382025 35% 0.540 PF00005 C1_S119 - (0)7 - / 7 / 8 5
138bsu3155038 34% 0.383 PF00005 C5_S138 - (0)8 - / - / 20 5
139bsu2913043 100% 0.868 PF00180 C7_S156 - (52)17 - / 13 / 23 5
140bsu3789032 44% 0.579 PF01041 C1_S167 - (0)13 - / 4 / 9 5
141bsu3022023 38% 0.485 PF00155 C1_S133 - (21)9 - / - / 10 5
142bsu0313033 100% 0.789 PF02540 C5_S166 - (59)12 - / 14 / 16 5
143bsu3021018 39% 0.486 PF00155 C1_S120 - (16)10 - / - / 11 5
144bsu0178030 71% 0.566 PF01380 C2_S118 - (15)10 - / - / 11 5
145bsu1188034 51% 0.605 PF01053 C1_S122 - (16)12 - / 1 / 16 5
146bsu0725083 66% 0.549 PF00067 C3_S1157 - (29)14 82 / 1 / 11 5
147bsu4011022 65% 0.601 PF00232 C2_S188 - (72)11 - / 4 / 7 5
148bsu23360105 75% 0.570 PF00160 C5_S1151 - (1)19 2 / 45 / 24 5
149bsu3255046 52% 0.530 PF08402 C1_S142 - (0)12 - / 18 / 7 5
150bsu3940024 73% 0.545 PF07831 C9_S127 - (3)10 - / - / 12 5

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