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]
200bsu1304030 56% 0.582 PF00175 C1_S173 - (29)10 16 / 3 / 4 2
201bsu3940024 73% 0.545 PF07831 C9_S127 - (3)10 - / - / 12 5
202bsu0594024 45% 0.592 PF00814 C2_S132 - (25)10 - / 14 / 4 5
203bsu2319026 100% 0.540 PF00768 C5_S135 - (0)10 - / - / 9 2
204bsu3193025 63% 0.600 PF05222 C3_S167 - (57)10 3 / 6 / 6 3
205bsu3886049 65% 0.611 PF16363 C1_S1139 - (120)10 43 / 10 / - 4
206bsu3291034 50% 0.747 PF00106 C1_S194 - (75)10 - / 17 / 14 4
207bsu1122051 45% 0.565 PF00202 C1_S155 - (34)10 - / 4 / 21 3
208bsu3866030 35% 0.477 PF00005 C1_S132 - (0)10 - / 11 / 5 5
209bsu3390049 100% 0.592 PF03952 C1_S130 - (26)10 - / 1 / 24 7
210bsu0652023 44% 0.495 PF02142 C12_S117 - (10)10 2 / 7 / 3 3
211bsu2386029 83% 0.558 PF03446 C2_S127 - (14)10 - / 3 / 9 4
212bsu2521020 65% 0.591 PF01807 C3_S115 - (0)10 - / 7 / 5 6
213bsu0013032 59% 0.413 PF00587 C3_S142 - (36)10 - / 16 / 9 6
214bsu3061053 39% 0.566 PF08402 C1_S142 - (0)10 - / 6 / 27 5
215bsu2786045 45% 0.548 PF02749 C7_S133 - (22)10 - / - / 17 3
216bsu3881047 53% 0.495 PF08402 C2_S133 - (0)10 - / 7 / 20 5
217bsu0373045 37% 0.532 PF00005 C1_S131 - (0)10 - / 1 / 20 5
218bsu1187038 50% 0.586 PF01053 C1_S121 - (15)10 - / 2 / 15 4
219bsu0359038 59% 0.553 PF08402 C1_S131 - (0)10 - / 16 / 14 5
220bsu3021018 39% 0.486 PF00155 C1_S120 - (16)10 - / - / 11 5
221bsu2236023 46% 0.520 PF01336 C7_S122 - (16)10 - / 9 / 1 5
222bsu3526041 40% 0.554 PF08402 C1_S123 - (0)10 - / 14 / 7 5
223bsu0788030 100% 0.684 PF01451 C6_S129 - (2)9 - / - / 14 4
224bsu2839057 100% 0.547 PF01177 C3_S159 - (42)9 - / - / 43 4
225bsu0090037 38% 0.512 PF01128 C1_S142 - (32)9 - / 19 / 5 3
226bsu3373035 43% 0.641 PF08402 C2_S135 - (0)9 - / 9 / 5 4
227bsu3796027 45% 0.609 PF00171 C4_S128 - (12)9 - / 6 / 4 3
228bsu3488024 44% 0.693 PF00977 C1_S129 - (0)9 2 / 5 / 4 5
229bsu1136036 37% 0.497 PF00005 C1_S137 - (0)9 - / 2 / 6 4
230bsu3409025 34% 0.447 PF00005 C1_S130 - (0)9 - / 3 / 6 4
231bsu4088062 54% 0.580 PF03372 C1_S1139 - (0)9 - / 9 / 23 1
232bsu3802027 100% 0.547 PF08543 C2_S163 - (48)9 - / 3 / 12 2
233bsu3383036 43% 0.639 PF08402 C1_S137 - (0)9 - / 13 / 2 4
234bsu0957020 34% 0.626 PF00155 C1_S133 - (23)9 - / 1 / 6 2
235bsu1300050 36% 0.497 PF00005 C1_S144 - (0)9 - / 5 / 22 5
236bsu1003032 100% 0.468 PF01230 C3_S182 - (0)9 - / 4 / 7 3
237bsu3495020 59% 0.568 PF00295 C2_S137 - (0)9 - / - / 14 4
238bsu1137052 38% 0.448 PF00005 C1_S153 - (0)9 - / 7 / 26 6
239bsu0863026 57% 0.502 PF14815 C3_S153 - (0)9 12 / 1 / 6 2
240bsu0643031 61% 0.595 PF02222 C2_S149 - (36)9 - / 12 / 10 5
241bsu3462035 56% 0.490 PF16657 C1_S135 - (0)9 - / 2 / 23 4
242bsu1677052 61% 0.622 PF00701 C4_S184 - (75)9 - / - / 15 3
243bsu2573024 41% 0.464 PF03446 C1_S130 - (16)9 - / - / 13 4
244bsu3468026 48% 0.588 PF02826 C1_S161 - (37)9 6 / 3 / 5 3
245bsu1590027 49% 0.595 PF00698 C1_S119 - (14)9 - / - / 7 0
246bsu3970019 100% 0.605 PF02894 C1_S139 - (0)9 - / 10 / 3 3
247bsu1800020 53% 0.589 PF00694 C3_S129 - (13)9 - / - / 5 4
248bsu1710020 56% 0.569 PF00698 C2_S113 - (5)9 - / - / 5 0
249bsu0972023 47% 0.473 PF00005 C1_S126 - (0)9 - / 8 / 4 4
250bsu1815022 91% 0.529 PF02055 C2_S135 - (2)9 - / 1 / 3 1

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