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]
200bsu3948036 54% 0.638 PF08402 C1_S120 - (0)7 - / 15 / 1 4
201bsu0642036 80% 0.612 PF00731 C7_S133 - (26)12 - / 1 / 16 4
202bsu3275036 48% 0.530 PF08402 C1_S122 - (0)6 - / 4 / 12 4
203bsu3282036 75% 0.460 PF02771 C2_S145 - (38)5 9 / 9 / 8 2
204bsu0069036 72% 0.619 PF09336 C2_S121 - (21)5 - / 14 / 5 4
205bsu1530036 99% 0.731 PF00082 C2_S134 - (0)2 - / - / 8 1
206bsu0006036 73% 0.601 PF01751 C3_S131 - (0)12 2 / 16 / 5 8
207bsu0082035 79% 0.534 PF01336 C5_S142 - (28)14 - / 11 / 6 6
208bsu0926035 67% 0.521 PF00202 C1_S146 - (22)5 - / - / 12 2
209bsu1592035 100% 0.792 PF00550 C7_S138 - (0)11 - / - / 8 2
210bsu1826035 50% 0.550 PF02771 C1_S137 - (37)8 4 / 12 / 7 4
211bsu2947035 58% 0.647 PF00871 C6_S157 - (51)20 2 / 15 / 12 12
212bsu2002035 100% 0.501 PF00692 C7_S164 - (47)6 - / - / 22 3
213bsu3373035 43% 0.641 PF08402 C2_S135 - (0)9 - / 9 / 5 4
214bsu2279035 87% 0.548 PF00216 C7_S161 - (0)2 4 / 5 / 14 1
215bsu1422035 52% 0.631 PF00578 C1_S118 - (0)8 - / - / 7 1
216bsu3462035 56% 0.490 PF16657 C1_S135 - (0)9 - / 2 / 23 4
217bsu1417034 40% 0.548 PF00258 C1_S1109 - (107)4 10 / 9 / - 2
218bsu2396034 64% 0.544 PF08402 C1_S129 - (0)12 - / 16 / 9 5
219bsu2105034 71% 0.683 PF00216 C9_S161 - (0)2 5 / 6 / 11 1
220bsu1377034 57% 0.624 PF00106 C1_S1102 - (56)11 2 / 4 / 6 3
221bsu0236034 50% 0.635 PF01182 C5_S122 - (17)13 - / - / 17 6
222bsu2431034 53% 0.646 PF02882 C4_S144 - (32)15 2 / 15 / 15 6
223bsu2496034 38% 0.527 PF00005 C1_S121 - (0)10 - / 5 / 13 6
224bsu1188034 51% 0.605 PF01053 C1_S122 - (16)12 - / 1 / 16 5
225bsu2725034 60% 0.581 PF01053 C1_S123 - (17)12 - / 2 / 14 5
226bsu3291034 50% 0.747 PF00106 C1_S194 - (75)10 - / 17 / 14 4
227bsu3252034 100% 0.589 PF00266 C1_S140 - (26)13 - / 1 / 11 2
228bsu2405034 44% 0.544 PF00676 C4_S131 - (20)8 - / 11 / 9 6
229bsu2326034 57% 0.649 PF00926 C7_S126 - (0)8 - / - / 21 3
230bsu3055033 71% 0.513 PF00438 C6_S114 - (9)8 - / - / 8 0
231bsu2446033 65% 0.569 PF00557 C1_S120 - (1)8 - / 1 / 7 0
232bsu1022033 37% 0.419 -C11_S122 - (0)4 - / - / 10 2
233bsu2934033 54% 0.650 PF08402 C1_S126 - (0)12 - / 15 / 7 5
234bsu0313033 100% 0.789 PF02540 C5_S166 - (59)12 - / 14 / 16 5
235bsu1142032 100% 0.575 PF00579 C4_S135 - (24)11 4 / 3 / 6 3
236bsu2703032 44% 0.519 PF00251 C3_S140 - (0)8 - / 2 / 9 2
237bsu3789032 44% 0.579 PF01041 C1_S167 - (0)13 - / 4 / 9 5
238bsu0053032 53% 0.622 PF01195 C6_S115 - (0)11 - / 1 / 6 4
239bsu3660032 40% 0.542 PF00145 C4_S1108 - (35)7 1 / 30 / 4 1
240bsu2864032 79% 0.477 PF01409 C1_S126 - (13)11 - / 8 / 6 8
241bsu0013032 59% 0.413 PF00587 C3_S142 - (36)10 - / 16 / 9 6
242bsu1813032 99% 0.539 PF00150 C1_S159 - (42)20 - / 3 / 14 7
243bsu2357032 73% 0.563 PF00206 C3_S116 - (10)7 - / - / 10 3
244bsu2895032 72% 0.527 PF07973 C1_S127 - (9)15 1 / 6 / 15 7
245bsu1003032 100% 0.468 PF01230 C3_S182 - (0)9 - / 4 / 7 3
246bsu1172032 100% 0.614 PF00106 C5_S168 - (36)8 17 / 8 / 1 3
247bsu0662032 69% 0.522 PF03119 C6_S134 - (20)17 - / 11 / 12 0
248bsu2382032 100% 0.686 PF00724 C2_S1178 - (105)10 2 / 8 / 10 3
249bsu0464031 56% 0.594 PF01168 C1_S141 - (27)8 - / 4 / 18 3
250bsu3316031 40% 0.486 PF00005 C2_S118 - (0)7 - / 1 / 9 3

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