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]
200bsu0113053 77% 0.566 PF03143 C1_S165 - (0)6 14 / 30 / 7 3
201bsu246106 100% 0.711 PF01381 C2_S165 - (0)3 - / - / 2 0
202bsu3052024 77% 0.575 PF00132 65 - (34)3 - / - / - 0
203bsu2547062 88% 0.592 PF00012 C2_S165 - (0)20 7 / 28 / 10 9
204bsu1125047 60% 0.581 PF02729 C5_S165 - (46)14 - / 9 / 22 6
205bsu0929043 74% 0.531 PF00370 C3_S164 - (64)14 - / 3 / 24 4
206bsu219902 37% 0.562 PF01693 C6_S164 - (0)2 - / - / 1 0
207bsu1687022 36% 0.576 PF00106 C1_S164 - (34)2 - / - / 1 0
208bsu1591044 73% 0.563 PF00106 C1_S164 - (36)13 14 / 3 / 10 2
209bsu3225021 61% 0.541 PF00291 C2_S164 - (55)4 - / 2 / 7 2
210bsu2002035 100% 0.501 PF00692 C7_S164 - (47)6 - / - / 22 3
211bsu0327020 49% 0.568 PF07992 C1_S163 - (49)2 7 / - / - 1
212bsu3802027 100% 0.547 PF08543 C2_S163 - (48)9 - / 3 / 12 2
213bsu2434050 68% 0.595 PF02786 C1_S163 - (31)20 1 / 15 / 31 19
214bsu373709 22% 0.458 PF04055 C5_S162 - (8)1 - / - / 1 0
215bsu0728020 31% 0.525 PF16363 62 - (55)? - / - / - 0
216bsu0386015 100% 0.596 PF00881 C4_S162 - (40)2 - / 6 / - 1
217bsu3198025 99% 0.810 PF13193 C4_S162 - (18)14 3 / 9 / 3 7
218bsu0209027 100% 0.517 PF00905 C3_S162 - (0)7 - / - / 7 3
219bsu2647015 43% 0.616 PF02525 62 - (40)? - / - / - 0
220bsu0390053 47% 0.585 PF00202 C1_S161 - (32)10 - / 6 / 20 3
221bsu1547025 100% 0.609 PF00156 C2_S161 - (23)8 - / 7 / 9 2
222bsu2105034 71% 0.683 PF00216 C9_S161 - (0)2 5 / 6 / 11 1
223bsu3468026 48% 0.588 PF02826 C1_S161 - (37)9 6 / 3 / 5 3
224bsu001503 30% 0.643 PF01712 C2_S161 - (48)1 - / 1 / - 1
225bsu0305051 100% 0.625 PF00056 C5_S161 - (53)6 14 / 16 / 2 2
226bsu2970010 43% 0.510 PF00571 C1_S161 - (58)2 - / - / 2 1
227bsu1603057 46% 0.554 PF01746 C9_S161 - (20)20 - / 29 / 24 29
228bsu1824051 53% 0.589 PF02786 C1_S161 - (30)20 1 / 15 / 31 19
229bsu2279035 87% 0.548 PF00216 C7_S161 - (0)2 4 / 5 / 14 1
230bsu1704028 40% 0.509 PF00488 C4_S160 - (0)2 - / 14 / 9 0
231bsu1486068 82% 0.531 PF02786 C2_S160 - (28)20 2 / 17 / 28 19
232bsu2255016 44% 0.320 PF13631 C8_S160 - (0)3 1 / 3 / 1 1
233bsu3782023 48% 0.584 PF04321 C1_S160 - (56)4 7 / 1 / - 3
234bsu0645031 68% 0.470 PF01259 C3_S160 - (45)11 - / 19 / 11 6
235bsu1311037 58% 0.546 PF02844 C7_S159 - (7)12 - / 23 / - 8
236bsu3872030 100% 0.655 PF03853 C2_S159 - (49)20 1 / 7 / 23 9
237bsu2839057 100% 0.547 PF01177 C3_S159 - (42)9 - / - / 43 4
238bsu1813032 99% 0.539 PF00150 C1_S159 - (42)20 - / 3 / 14 7
239bsu1974029 39% 0.538 PF00202 C1_S159 - (40)5 - / - / 8 1
240bsu2942019 36% 0.473 PF00106 59 - (43)1 - / - / - 0
241bsu3211020 100% 0.587 PF07992 C2_S158 - (45)2 5 / - / - 1
242bsu0859020 44% 0.468 PF00561 C1_S158 - (7)15 - / 2 / 10 3
243bsu286900 31% 0.458 PF13085 58 - (0)? - / - / - 0
244bsu0930015 59% 0.480 PF01266 C1_S158 - (37)3 12 / - / 1 1
245bsu0050049 51% 0.534 PF12804 C1_S158 - (37)16 - / 22 / 18 9
246bsu2308051 55% 0.652 PF01487 C4_S157 - (40)20 - / - / 40 9
247bsu1549056 100% 0.625 PF02729 C8_S157 - (43)20 - / 20 / 13 8
248bsu0421020 98% 0.558 PF13302 57 - (0)0 - / - / - 0
249bsu3601022 99% 0.610 PF02776 C5_S157 - (28)6 - / 1 / 3 2
250bsu2263066 43% 0.589 PF00290 C3_S157 - (27)20 - / 4 / 41 16

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