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]
150bsu0745043 48% 0.589 PF00107 C2_S172 - (51)16 25 / 2 / 9 3
151bsu3470043 43% 0.532 PF00005 C1_S127 - (0)11 - / 5 / 17 6
152bsu1818043 50% 0.478 PF00483 C1_S178 - (70)15 - / 14 / 22 5
153bsu3750043 100% 0.775 PF00891 C1_S194 - (52)19 4 / 27 / 18 7
154bsu3526041 40% 0.554 PF08402 C1_S123 - (0)10 - / 14 / 7 5
155bsu2902041 74% 0.627 PF00044 C1_S137 - (19)3 4 / 11 / 2 2
156bsu2248041 59% 0.467 PF02142 C3_S137 - (26)6 - / - / 28 2
157bsu3213041 88% 0.640 PF00478 C2_S146 - (28)16 - / 3 / 17 3
158bsu1017040 45% 0.509 PF08541 C2_S152 - (31)18 - / 3 / 15 4
159bsu0078040 63% 0.593 PF02152 C5_S137 - (25)12 - / - / 22 8
160bsu1766040 100% 0.502 PF00692 C7_S1135 - (89)7 - / - / 24 3
161bsu1121040 44% 0.561 PF00696 C1_S179 - (66)13 - / 5 / 17 4
162bsu3076040 35% 0.578 PF00005 C1_S133 - (0)11 - / 1 / 21 5
163bsu1110040 55% 0.470 PF02868 C9_S139 - (0)17 - / 1 / 7 5
164bsu1470040 55% 0.470 PF02868 C8_S139 - (0)17 - / 1 / 7 5
165bsu2743039 62% 0.613 PF08402 C1_S142 - (0)12 - / 21 / 7 5
166bsu2270039 40% 0.518 PF01202 C3_S154 - (49)6 7 / 14 / 10 2
167bsu1784039 66% 0.636 PF00903 C1_S151 - (0)14 - / - / 27 4
168bsu1809039 73% 0.555 PF01751 C3_S136 - (0)17 4 / 13 / 11 13
169bsu0883039 40% 0.668 PF08402 C1_S125 - (0)12 - / 1 / 17 5
170bsu2416039 56% 0.612 PF02737 C2_S139 - (34)6 3 / 12 / 8 2
171bsu2530039 100% 0.636 PF00383 C3_S135 - (23)14 - / - / 31 6
172bsu0108039 53% 0.421 PF04998 69 - (0)0 - / - / - 0
173bsu0809038 40% 0.542 PF02852 C2_S191 - (71)5 26 / - / 1 1
174bsu1187038 50% 0.586 PF01053 C1_S121 - (15)10 - / 2 / 15 4
175bsu0869038 61% 0.408 PF00005 C2_S132 - (0)9 - / 18 / 4 6
176bsu2274038 41% 0.619 PF00348 C1_S151 - (32)17 - / - / 23 6
177bsu2415038 55% 0.547 PF02771 C2_S134 - (34)6 8 / 15 / - 4
178bsu2813038 51% 0.641 PF00490 C8_S139 - (22)18 - / 1 / 27 2
179bsu1568038 69% 0.564 PF00625 C3_S146 - (34)14 3 / 15 / 10 5
180bsu3942038 61% 0.640 PF01791 C2_S137 - (9)8 - / - / 14 2
181bsu0346038 44% 0.639 PF00215 126 - (118)3 - / - / - 0
182bsu0359038 59% 0.553 PF08402 C1_S131 - (0)10 - / 16 / 14 5
183bsu3155038 34% 0.383 PF00005 C5_S138 - (0)8 - / - / 20 5
184bsu3637038 52% 0.593 PF07977 C2_S123 - (0)18 - / - / 13 0
185bsu1133037 58% 0.542 PF08541 C2_S151 - (31)17 - / 6 / 13 3
186bsu3717037 57% 0.452 PF02771 C1_S135 - (35)7 7 / 11 / 5 3
187bsu1002037 59% 0.613 PF00266 C1_S152 - (41)3 - / - / 35 1
188bsu2759037 55% 0.552 PF02580 C10_S123 - (0)11 - / 3 / 9 1
189bsu3756037 52% 0.521 PF07973 C2_S127 - (11)15 4 / 15 / 4 8
190bsu0090037 38% 0.512 PF01128 C1_S142 - (32)9 - / 19 / 5 3
191bsu1311037 58% 0.546 PF02844 C7_S159 - (7)12 - / 23 / - 8
192bsu0048036 100% 0.623 PF01042 C6_S122 - (0)5 - / - / 7 0
193bsu3275036 48% 0.530 PF08402 C1_S122 - (0)6 - / 4 / 12 4
194bsu1675036 58% 0.592 PF02774 C2_S169 - (35)20 12 / 12 / 14 9
195bsu1694036 69% 0.607 PF00154 C1_S142 - (0)11 - / 17 / 8 5
196bsu3327036 51% 0.588 PF08402 C1_S118 - (0)8 - / 12 / 2 4
197bsu3282036 75% 0.460 PF02771 C2_S145 - (38)5 9 / 9 / 8 2
198bsu1136036 37% 0.497 PF00005 C1_S137 - (0)9 - / 2 / 6 4
199bsu0006036 73% 0.601 PF01751 C3_S131 - (0)12 2 / 16 / 5 8
200bsu1030036 99% 0.755 PF00082 C1_S134 - (0)2 - / - / 8 1

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