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]
150bsu2396034 64% 0.544 PF08402 C1_S129 - (0)12 - / 16 / 9 5
151bsu0651047 54% 0.595 PF00551 C2_S1144 - (20)14 - / 12 / 23 5
152bsu3881047 53% 0.495 PF08402 C2_S133 - (0)10 - / 7 / 20 5
153bsu2743039 62% 0.613 PF08402 C1_S142 - (0)12 - / 21 / 7 5
154bsu3789032 44% 0.579 PF01041 C1_S167 - (0)13 - / 4 / 9 5
155bsu3706044 70% 0.467 PF00265 C10_S142 - (41)11 13 / 16 / 3 5
156bsu0725083 66% 0.549 PF00067 C3_S1157 - (29)14 82 / 1 / 11 5
157bsu23360105 75% 0.570 PF00160 C5_S1151 - (1)19 2 / 45 / 24 5
158bsu0883039 40% 0.668 PF08402 C1_S125 - (0)12 - / 1 / 17 5
159bsu1830029 43% 0.536 PF00550 C1_S143 - (24)7 - / 13 / 1 5
160bsu1841048 100% 0.612 PF01019 C3_S143 - (24)7 - / - / 22 5
161bsu1529053 100% 0.623 PF00091 C3_S156 - (0)10 1 / 30 / 13 5
162bsu2934033 54% 0.650 PF08402 C1_S126 - (0)12 - / 15 / 7 5
163bsu4011022 65% 0.601 PF00232 C2_S188 - (72)11 - / 4 / 7 5
164bsu3255046 52% 0.530 PF08402 C1_S142 - (0)12 - / 18 / 7 5
165bsu3042053 44% 0.655 PF00005 C1_S139 - (0)12 - / 9 / 27 5
166bsu1568038 69% 0.564 PF00625 C3_S146 - (34)14 3 / 15 / 10 5
167bsu0178030 71% 0.566 PF01380 C2_S118 - (15)10 - / - / 11 5
168bsu3689046 84% 0.544 PF14681 C6_S149 - (38)12 - / 10 / 21 5
169bsu2266023 48% 0.470 PF00218 C1_S113 - (5)10 - / 5 / 4 5
170bsu2716083 67% 0.579 PF00067 C3_S1157 - (31)15 82 / 2 / 10 5
171bsu0821052 54% 0.468 PF00005 C1_S177 - (0)8 - / 19 / 21 5
172bsu1110040 55% 0.470 PF02868 C9_S139 - (0)17 - / 1 / 7 5
173bsu0643031 61% 0.595 PF02222 C2_S149 - (36)9 - / 12 / 10 5
174bsu0069036 72% 0.619 PF09336 C2_S121 - (21)5 - / 14 / 5 4
175bsu0457019 39% 0.540 PF08245 C1_S146 - (22)10 1 / 6 / - 4
176bsu1863019 100% 0.659 PF03330 C3_S120 - (0)8 - / 2 / 8 4
177bsu3275036 48% 0.530 PF08402 C1_S122 - (0)6 - / 4 / 12 4
178bsu3383036 43% 0.639 PF08402 C1_S137 - (0)9 - / 13 / 2 4
179bsu2386029 83% 0.558 PF03446 C2_S127 - (14)10 - / 3 / 9 4
180bsu1734072 100% 0.514 PF01423 C5_S187 - (0)15 - / - / 48 4
181bsu3373035 43% 0.641 PF08402 C2_S135 - (0)9 - / 9 / 5 4
182bsu1017040 45% 0.509 PF08541 C2_S152 - (31)18 - / 3 / 15 4
183bsu1011020 46% 0.391 PF00905 C1_S19 - (0)4 - / - / 4 4
184bsu1085020 38% 0.534 PF02894 C1_S128 - (0)4 - / - / 4 4
185bsu3462035 56% 0.490 PF16657 C1_S135 - (0)9 - / 2 / 23 4
186bsu0166025 100% 0.558 PF01915 C1_S134 - (15)16 - / - / 14 4
187bsu2827051 77% 0.622 PF00180 C5_S155 - (46)15 - / 6 / 31 4
188bsu0749030 34% 0.418 PF00005 C1_S119 - (0)7 - / 1 / 10 4
189bsu0269044 59% 0.593 PF00710 C8_S143 - (37)15 - / - / 19 4
190bsu3886049 65% 0.611 PF16363 C1_S1139 - (120)10 43 / 10 / - 4
191bsu3850022 100% 0.559 PF13193 C2_S126 - (16)7 - / 8 / 2 4
192bsu2566057 45% 0.553 PF08501 C6_S168 - (63)12 5 / 15 / 26 4
193bsu0788030 100% 0.684 PF01451 C6_S129 - (2)9 - / - / 14 4
194bsu1439023 52% 0.498 PF00294 C1_S143 - (32)9 - / 1 / 8 4
195bsu1136036 37% 0.497 PF00005 C1_S137 - (0)9 - / 2 / 6 4
196bsu0972023 47% 0.473 PF00005 C1_S126 - (0)9 - / 8 / 4 4
197bsu2361027 55% 0.448 PF00293 C2_S1107 - (44)14 - / - / 18 4
198bsu3964030 42% 0.499 PF00005 C1_S123 - (22)8 - / 8 / 5 4
199bsu3948036 54% 0.638 PF08402 C1_S120 - (0)7 - / 15 / 1 4
200bsu0642036 80% 0.612 PF00731 C7_S133 - (26)12 - / 1 / 16 4

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