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
101bsu2289029 62% 0.687 PF02224 C2_S133 - (27)13 1 / 10 / 9 6
102bsu0645031 68% 0.470 PF01259 C3_S160 - (45)11 - / 19 / 11 6
103bsu3423030 47% 0.571 PF01041 C1_S145 - (0)12 1 / 2 / 13 6
104bsu2431034 53% 0.646 PF02882 C4_S144 - (32)15 2 / 15 / 15 6
105bsu0236034 50% 0.635 PF01182 C5_S122 - (17)13 - / - / 17 6
106bsu2912067 85% 0.584 PF00056 C5_S1103 - (68)20 41 / 13 / 8 6
107bsu0321049 90% 0.555 PF00171 C4_S153 - (0)17 - / 16 / 13 6
108bsu3778051 70% 0.554 PF00171 C4_S153 - (0)18 - / 17 / 15 6
109bsu2274038 41% 0.619 PF00348 C1_S151 - (32)17 - / - / 23 6
110bsu1125047 60% 0.581 PF02729 C5_S165 - (46)14 - / 9 / 22 6
111bsu2496034 38% 0.527 PF00005 C1_S121 - (0)10 - / 5 / 13 6
112bsu3470043 43% 0.532 PF00005 C1_S127 - (0)11 - / 5 / 17 6
113bsu2405034 44% 0.544 PF00676 C4_S131 - (20)8 - / 11 / 9 6
114bsu1146045 39% 0.558 PF00005 C1_S146 - (0)10 - / 1 / 26 6
115bsu0046031 37% 0.507 PF00288 C1_S166 - (46)17 - / 6 / 13 6
116bsu22420105 51% 0.626 PF02569 C4_S1308 - (241)20 13 / 44 / 26 6
117bsu2997067 58% 0.555 PF00291 C3_S168 - (46)15 - / 5 / 48 6
118bsu0177020 79% 0.598 PF00408 C3_S115 - (14)8 - / - / 7 6
119bsu2726069 53% 0.627 PF00291 C2_S181 - (52)16 - / 4 / 50 6
120bsu1188034 51% 0.605 PF01053 C1_S122 - (16)12 - / 1 / 16 5
121bsu2743039 62% 0.613 PF08402 C1_S142 - (0)12 - / 21 / 7 5
122bsu1818043 50% 0.478 PF00483 C1_S178 - (70)15 - / 14 / 22 5
123bsu4011022 65% 0.601 PF00232 C2_S188 - (72)11 - / 4 / 7 5
124bsu1529053 100% 0.623 PF00091 C3_S156 - (0)10 1 / 30 / 13 5
125bsu3021018 39% 0.486 PF00155 C1_S120 - (16)10 - / - / 11 5
126bsu0351024 99% 0.552 PF00550 C1_S154 - (28)8 - / 13 / 2 5
127bsu0725083 66% 0.549 PF00067 C3_S1157 - (29)14 82 / 1 / 11 5
128bsu3488024 44% 0.693 PF00977 C1_S129 - (0)9 2 / 5 / 4 5
129bsu0313033 100% 0.789 PF02540 C5_S166 - (59)12 - / 14 / 16 5
130bsu2396034 64% 0.544 PF08402 C1_S129 - (0)12 - / 16 / 9 5
131bsu2266023 48% 0.470 PF00218 C1_S113 - (5)10 - / 5 / 4 5
132bsu1110040 55% 0.470 PF02868 C9_S139 - (0)17 - / 1 / 7 5
133bsu3042053 44% 0.655 PF00005 C1_S139 - (0)12 - / 9 / 27 5
134bsu3395018 100% 0.633 PF04198 C3_S136 - (15)8 - / - / 9 5
135bsu2913043 100% 0.868 PF00180 C7_S156 - (52)17 - / 13 / 23 5
136bsu0359038 59% 0.553 PF08402 C1_S131 - (0)10 - / 16 / 14 5
137bsu3689046 84% 0.544 PF14681 C6_S149 - (38)12 - / 10 / 21 5
138bsu3255046 52% 0.530 PF08402 C1_S142 - (0)12 - / 18 / 7 5
139bsu3061053 39% 0.566 PF08402 C1_S142 - (0)10 - / 6 / 27 5
140bsu2725034 60% 0.581 PF01053 C1_S123 - (17)12 - / 2 / 14 5
141bsu1694036 69% 0.607 PF00154 C1_S142 - (0)11 - / 17 / 8 5
142bsu23360105 75% 0.570 PF00160 C5_S1151 - (1)19 2 / 45 / 24 5
143bsu0651047 54% 0.595 PF00551 C2_S1144 - (20)14 - / 12 / 23 5
144bsu0967022 44% 0.560 PF01063 C8_S151 - (39)12 - / 8 / 14 5
145bsu1300050 36% 0.497 PF00005 C1_S144 - (0)9 - / 5 / 22 5
146bsu1830029 43% 0.536 PF00550 C1_S143 - (24)7 - / 13 / 1 5
147bsu2716083 67% 0.579 PF00067 C3_S1157 - (31)15 82 / 2 / 10 5
148bsu2934033 54% 0.650 PF08402 C1_S126 - (0)12 - / 15 / 7 5
149bsu3022023 38% 0.485 PF00155 C1_S133 - (21)9 - / - / 10 5
150bsu1841048 100% 0.612 PF01019 C3_S143 - (24)7 - / - / 22 5

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