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]
200B0VL460 29% 0.40 PF00112 1 - (0)? - / - / - 0
201B0VSW00 42% 0.17 PF00112 22 - (0)? - / - / - 0
202B0VLQ610 50% 0.66 PF00114 28 - (0)? - / - / - 0
203B0VRI95 41% ? PF00114 1 - (1)? - / - / - 0
204B0VMZ35 33% 0.35 PF00114 17 - (0)? - / - / - 0
205B0VQ5510 44% 0.33 PF00114 3 - (0)? - / - / - 0
206B0VQM04 31% 0.36 PF00115 24 - (0)? - / - / - 0
207B0VM1420 67% 0.35 PF00115 C1_S157 - (0)3 2 / - / 2 0
208B0VLT80 38% 0.42 PF00115 3 - (1)? - / - / - 0
209B0VQR615 34% 0.53 PF00117 5 - (0)? - / - / - 0
210B0VPC120 44% 0.60 PF00117 2 - (0)? - / - / - 0
211B0VM7315 50% 0.43 PF00117 2 - (0)? - / - / - 0
212B0VMJ020 47% 0.58 PF00117 8 - (2)? - / - / - 0
213B0VTZ315 32% 0.50 PF00117 C2_S145 - (41)8 - / 2 / 9 1
214B0VSM016 69% 0.57 PF00117 5 - (0)? - / - / - 0
215B0VUS618 46% 0.46 PF00117 3 - (0)? - / - / - 0
216B0VQI620 63% 0.48 PF00117 C3_S113 - (10)7 - / 1 / 8 3
217B0VTU10 45% 0.67 PF00118 1 - (0)? - / - / - 0
218B0VSP514 75% ? PF00118 25 - (0)1 - / - / - 0
219B0VNJ811 71% 0.30 PF00119 0 - (0)? - / - / - 0
220B0VKA418 74% 0.54 PF00121 6 - (1)? - / - / - 0
221B0VLU677 47% 0.62 PF00121 C7_S165 - (40)19 - / - / 33 8
222B0VU565 52% -0.00 PF00124 35 - (0)? - / - / - 0
223B0VV0720 52% 0.56 PF00132 C2_S155 - (31)2 - / - / 2 0
224B0VUC38 41% 0.48 PF00132 C1_S191 - (43)1 - / - / 1 0
225B0VS5820 51% 0.37 PF00132 80 - (34)? - / - / - 0
226B0VMV424 100% 0.61 PF00132 C2_S154 - (29)10 - / 2 / 12 3
227B0VVB70 33% 0.46 PF00132 4 - (0)? - / - / - 0
228B0VNJ95 50% ? PF00137 127 - (0)? - / - / - 0
229B0VU2710 48% 0.55 PF00142 C2_S178 - (76)4 - / 4 / - 2
230B0VQ010 35% 0.38 PF00143 0 - (0)? - / - / - 0
231B0VLR918 32% 0.53 PF00144 18 - (0)? - / - / - 0
232B0VRL720 31% 0.52 PF00144 32 - (4)? - / - / - 0
233B0VRQ00 25% 0.39 PF00145 24 - (0)? - / - / - 0
234B0VVC931 43% 0.44 PF00145 C4_S1125 - (38)5 2 / 26 / 5 0
235B0VKG815 25% 0.36 PF00145 17 - (5)? - / - / - 0
236B0VU508 44% 0.38 PF00146 14 - (0)? - / - / - 0
237B0VS010 36% 0.28 PF00148 2 - (0)? - / - / - 0
238B0VN140 38% 0.15 PF00148 1 - (0)? - / - / - 0
239B0VV3317 43% ? PF00149 12 - (0)? - / - / - 0
240B0VSM916 37% 0.42 PF00149 17 - (0)? - / - / - 0
241B0VNN00 39% 0.22 PF00149 1 - (0)? - / - / - 0
242B0VMD912 30% 0.57 PF00149 6 - (0)? - / - / - 0
243B0VTC618 33% 0.46 PF00149 C1_S110 - (0)1 - / - / 1 0
244B0VM6920 41% 0.49 PF00149 C3_S124 - (0)5 1 / 1 / 3 1
245B0VQD120 29% 0.48 PF00149 C1_S127 - (9)6 - / 1 / 4 0
246B0VV407 43% 0.54 PF00149 C2_S115 - (0)4 - / - / 1 0
247B0VTA91 38% 0.11 PF00149 0 - (0)? - / - / - 0
248B0VNP10 37% 0.44 PF00149 5 - (0)? - / - / - 0
249B0VS820 37% 0.15 PF00150 0 - (0)? - / - / - 0
250B0VN2315 41% 0.46 PF00150 4 - (0)? - / - / - 0

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