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]
150B0VKS836 61% 0.52 PF00933 C4_S143 - (23)20 - / - / 25 8
151B0VKS919 18% 0.36 PF04072 11 - (0)? - / - / - 0
152B0VKT017 35% 0.34 PF00561 19 - (12)? - / - / - 0
153B0VKT114 59% 0.43 PF00171 9 - (5)1 - / - / - 0
154B0VKT519 42% 0.52 PF01202 C2_S140 - (34)2 - / - / 1 0
155B0VKT610 17% 0.37 -3 - (0)? - / - / - 0
156B0VKT733 45% 0.64 PF01081 C1_S129 - (28)4 - / - / 8 2
157B0VKT87 59% 0.52 PF03453 2 - (0)? - / - / - 0
158B0VKU16 46% 0.47 PF05165 14 - (0)? - / - / - 0
159B0VKU22 38% ? PF00549 9 - (1)? - / - / - 0
160B0VKU30 28% 0.24 PF01433 9 - (0)? - / - / - 0
161B0VKU420 74% 0.62 PF10431 C5_S122 - (0)1 - / - / 1 0
162B0VKU58 77% 0.58 PF00574 43 - (0)1 - / - / - 0
163B0VKU613 62% 0.52 PF00254 37 - (0)? - / - / - 0
164B0VKU714 43% 0.32 PF03466 4 - (0)? - / - / - 0
165B0VKU80 41% 0.48 PF05103 0 - (0)? - / - / - 0
166B0VKU919 53% 0.65 PF00590 18 - (14)? - / - / - 0
167B0VKV011 44% 0.76 PF01870 8 - (0)? - / - / - 0
168B0VKV17 23% 0.60 PF00691 2 - (0)? - / - / - 0
169B0VKV220 35% 0.38 PF07859 13 - (0)1 - / - / - 0
170B0VKV320 48% 0.41 PF00293 C2_S165 - (29)6 - / 1 / 1 1
171B0VKV719 54% 0.53 PF00929 C1_S128 - (18)6 - / - / 6 1
172B0VKV84 53% 0.59 PF03734 14 - (0)? - / - / - 0
173B0VKW00 38% 0.18 PF05001 10 - (0)? - / - / - 0
174B0VKW321 37% 0.53 PF00724 158 - (76)0 - / - / - 0
175B0VKW836 55% 0.57 PF00929 C1_S160 - (52)3 4 / 26 / 4 1
176B0VKW916 58% 0.52 PF01979 5 - (0)? - / - / - 0
177B0VKX012 45% 0.25 PF00990 31 - (0)0 - / - / - 0
178B0VKX420 80% 0.79 PF00764 C3_S125 - (22)8 - / 1 / 4 2
179B0VKX614 53% 0.52 PF00724 C7_S191 - (45)3 1 / 3 / 1 1
180B0VKX716 28% 0.33 PF00589 13 - (0)? - / - / - 0
181B0VKX87 21% 0.58 PF13411 8 - (0)? - / - / - 0
182B0VKY013 29% 0.21 PF07244 6 - (0)? - / - / - 0
183B0VKY14 36% 0.53 PF02794 2 - (0)? - / - / - 0
184B0VKY21 40% 0.35 PF02511 29 - (25)? - / - / - 0
185B0VKY410 36% 0.53 PF13411 8 - (0)? - / - / - 0
186B0VKY50 31% 0.49 PF06046 0 - (0)? - / - / - 0
187B0VKY60 36% 0.78 PF04716 4 - (0)? - / - / - 0
188B0VKY70 38% 0.26 PF05001 4 - (0)? - / - / - 0
189B0VKY812 33% 0.30 PF00959 8 - (0)? - / - / - 0
190B0VKY99 31% 0.17 -2 - (0)? - / - / - 0
191B0VKZ00 35% 0.29 PF00092 7 - (0)? - / - / - 0
192B0VKZ50 38% 0.22 PF05001 4 - (0)? - / - / - 0
193B0VKZ68 28% 0.40 PF13520 10 - (0)? - / - / - 0
194B0VKZ93 15% 0.34 PF02038 0 - (0)? - / - / - 0
195B0VL001 44% 0.47 PF08666 2 - (0)? - / - / - 0
196B0VL0330 72% 0.60 PF13378 C1_S114 - (5)7 - / - / 10 2
197B0VL0421 50% 0.61 PF00701 C7_S169 - (0)13 - / - / 7 0
198B0VL0520 49% 0.59 PF00171 C4_S115 - (0)1 - / - / 1 0
199B0VL0613 46% 0.52 PF00392 45 - (0)1 - / - / - 0
200B0VL0715 28% 0.39 PF00326 3 - (0)? - / - / - 0

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