Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
UP000001741 (2017 - Acinetobacter Baumannii - ACIBS: Acinetobacter baumannii (strain SDF) [509170])

Download : Data.csv | 3D Common Core | 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]
200B0VL0715 28% 0.39 PF00326 3 - (0)? - / - / - 0
201B0VL1113 35% 0.40 PF00183 12 - (0)? - / - / - 0
202B0VL1218 27% 0.32 PF04072 19 - (0)? - / - / - 0
203B0VL1319 29% 0.49 PF00743 C1_S186 - (69)3 2 / 1 / - 0
204B0VL1412 37% 0.58 PF00106 C1_S1125 - (99)3 2 / - / 1 0
205B0VL150 19% 0.24 PF00210 6 - (0)? - / - / - 0
206B0VL164 47% 0.63 PF00440 32 - (0)? - / - / - 0
207B0VL1718 45% 0.46 PF05726 C2_S16 - (1)3 - / - / 1 0
208B0VL180 19% 0.26 PF00210 6 - (0)? - / - / - 0
209B0VL210 44% 0.46 PF02532 2 - (0)? - / - / - 0
210B0VL227 25% 0.29 PF00860 17 - (0)? - / - / - 0
211B0VL2320 63% 0.53 PF00962 C1_S134 - (10)6 - / - / 8 3
212B0VL243 20% 0.19 PF00033 9 - (0)? - / - / - 0
213B0VL250 34% 0.19 PF06296 11 - (0)? - / - / - 0
214B0VL2617 52% 0.52 PF01351 C1_S127 - (0)4 - / 3 / 3 0
215B0VL2716 91% 0.62 PF02599 C2_S16 - (0)2 - / 3 / - 0
216B0VL2822 49% 0.55 PF13840 C2_S122 - (5)5 - / 2 / 5 2
217B0VL2919 72% 0.57 PF07973 C2_S121 - (0)8 1 / 8 / 4 5
218B0VL3029 48% 0.52 PF00044 C4_S126 - (22)2 5 / 13 / - 1
219B0VL310 18% 0.15 PF09299 1 - (0)? - / - / - 0
220B0VL3214 41% 0.45 PF03129 C3_S121 - (5)1 - / - / 1 0
221B0VL3349 65% 0.53 PF00709 C11_S192 - (68)20 - / 42 / 9 10
222B0VL340 38% 0.26 PF05001 0 - (0)? - / - / - 0
223B0VL350 31% 0.48 PF01699 4 - (0)? - / - / - 0
224B0VL3610 30% 0.36 PF00687 18 - (0)0 - / - / - 0
225B0VL3719 49% 0.55 PF00248 C4_S127 - (0)2 3 / - / - 1
226B0VL380 25% 0.16 PF00503 12 - (12)? - / - / - 0
227B0VL412 29% 0.62 PF00215 2 - (2)? - / - / - 0
228B0VL4212 63% 0.42 PF00037 C7_S164 - (0)2 - / - / 11 0
229B0VL431 38% 0.23 PF05001 4 - (0)? - / - / - 0
230B0VL440 35% 0.24 PF00687 2 - (0)? - / - / - 0
231B0VL455 56% 0.52 PF00959 C6_S18 - (0)1 - / - / 1 0
232B0VL460 29% 0.40 PF00112 1 - (0)? - / - / - 0
233B0VL470 28% 0.21 PF15009 5 - (0)? - / - / - 0
234B0VL4820 59% 0.27 PF00593 C4_S191 - (0)1 - / - / 1 0
235B0VL4914 50% 0.39 PF13640 28 - (4)2 - / - / - 0
236B0VL5011 56% 0.53 PF00682 C3_S125 - (17)3 - / - / 1 0
237B0VL5117 50% 0.54 PF00561 15 - (2)? - / - / - 0
238B0VL5213 23% 0.31 PF08241 13 - (0)? - / - / - 0
239B0VL5313 43% 0.57 PF08238 4 - (0)? - / - / - 0
240B0VL5418 47% 0.48 PF01725 C4_S118 - (15)4 - / 7 / 2 2
241B0VL573 16% 0.04 PF00999 11 - (0)? - / - / - 0
242B0VL585 45% 0.49 PF02416 0 - (0)? - / - / - 0
243B0VL593 42% 0.37 PF02416 2 - (2)? - / - / - 0
244B0VL605 35% 0.32 PF00902 2 - (0)? - / - / - 0
245B0VL613 29% 0.29 PF02333 6 - (0)1 - / - / - 0
246B0VL6411 39% 0.43 PF00058 C4_S112 - (0)3 - / 1 / 1 1
247B0VL651 35% 0.38 PF02275 2 - (0)? - / - / - 0
248B0VL665 51% 0.35 PF01790 C8_S132 - (0)4 - / 1 / 4 0
249B0VL670 25% 0.66 PF05151 0 - (0)? - / - / - 0
250B0VL680 22% 0.41 PF06140 0 - (0)? - / - / - 0

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