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]
150B0VRC723 71% 0.54 PF01336 C7_S135 - (22)7 - / 5 / 8 2
151B0VP4826 71% 0.54 PF00486 C2_S132 - (0)4 - / - / 6 0
152B0VNJ811 71% 0.30 PF00119 0 - (0)? - / - / - 0
153B0VLI621 71% 0.62 PF00578 C1_S117 - (0)6 - / - / 2 0
154B0VQS413 71% 0.56 PF00189 3 - (0)0 - / - / - 0
155B0VLZ659 71% 0.50 PF04560 C5_S188 - (0)0 - / - / 28 0
156B0VQS719 71% 0.55 PF00366 0 - (0)? - / - / - 0
157B0VQU210 71% 0.52 PF01479 1 - (0)? - / - / - 0
158B0VMA319 71% ? PF03946 5 - (0)1 - / - / - 0
159B0VPZ822 71% 0.65 PF01113 C1_S148 - (33)9 4 / 9 / 2 4
160B0VRB558 71% 0.48 PF01063 C7_S187 - (80)20 - / 16 / 34 2
161B0VV4316 71% ? PF00572 1 - (0)? - / - / - 0
162B0VSH612 71% 0.57 PF01016 2 - (0)? - / - / - 0
163B0VPD819 71% 0.56 PF00005 C1_S112 - (0)3 - / 1 / 2 0
164B0VLZ561 70% 0.44 PF04998 C3_S195 - (0)0 - / 2 / 34 0
165B0VS1217 70% ? PF02637 C2_S11 - (0)1 - / - / 1 1
166B0VRL425 70% 0.62 PF12170 C2_S136 - (0)2 - / - / 11 0
167B0VQ8549 70% 0.57 PF00202 C1_S197 - (71)20 - / 5 / 25 5
168B0VQE621 70% 0.57 PF03466 C1_S114 - (0)5 - / - / 8 2
169B0VLR818 70% 0.68 PF00312 1 - (0)? - / - / - 0
170B0VTX320 70% 0.63 PF02261 C3_S115 - (7)4 - / - / 2 0
171B0VLU227 70% 0.55 PF03143 C5_S183 - (0)14 8 / 12 / 6 3
172B0VTF627 70% 0.60 PF07992 C1_S1154 - (135)9 18 / 2 / 5 4
173B0VMJ816 70% 0.39 PF00230 C7_S157 - (0)3 - / - / 1 0
174B0VQR916 70% 0.57 PF00573 4 - (0)? - / - / - 0
175B0VSL810 70% 0.44 PF03449 5 - (0)? - / - / - 0
176B0VUY526 70% 0.59 PF00175 C4_S192 - (68)7 26 / - / 4 1
177B0VTE561 70% 0.51 PF00692 C4_S1175 - (138)18 - / - / 33 4
178B0VNW634 70% 0.57 PF00216 C6_S160 - (0)3 4 / 1 / 9 1
179B0VR2822 70% 0.61 PF00456 C1_S19 - (0)2 - / - / 2 1
180B0VRW79 69% 0.45 PF03604 0 - (0)? - / - / - 0
181B0VSK229 69% 0.56 PF00285 C8_S119 - (15)6 - / 3 / 7 2
182B0VT845 69% 0.71 PF02472 3 - (0)? - / - / - 0
183B0VNK014 69% 0.53 PF00430 4 - (0)? - / - / - 0
184B0VQ5916 69% 0.67 PF01245 1 - (0)? - / - / - 0
185B0VTX021 69% 0.60 PF13793 C9_S127 - (27)8 - / 1 / 13 2
186B0VV2715 69% 0.54 PF00356 C2_S113 - (0)2 - / - / 5 0
187B0VSM016 69% 0.57 PF00117 5 - (0)? - / - / - 0
188B0VQ5619 69% 0.65 PF00886 2 - (0)? - / - / - 0
189B0VM1017 69% 0.61 PF01250 5 - (0)? - / - / - 0
190B0VP9868 69% 0.55 PF00521 C6_S1125 - (0)8 - / 3 / 41 0
191B0VTG414 69% 0.57 PF00177 7 - (0)1 - / - / - 0
192B0VSA810 69% 0.59 PF00730 C2_S1106 - (0)3 1 / 3 / - 0
193B0VNC514 69% 0.51 PF00472 3 - (0)? - / - / - 0
194B0VT3948 69% 0.51 PF00521 C4_S1111 - (0)8 - / 3 / 29 1
195B0VNL884 69% 0.73 PF01327 C4_S1122 - (25)20 - / 25 / 42 11
196B0VQR815 68% 0.40 PF00297 0 - (0)? - / - / - 0
197B0VQ4921 68% 0.58 PF01042 C4_S137 - (0)8 - / - / 1 0
198B0VQW411 68% 0.67 PF00156 C2_S137 - (31)4 - / 2 / 3 2
199B0VQT017 68% 0.69 PF00673 0 - (0)? - / - / - 0
200B0VMD717 68% 0.47 PF01964 C2_S135 - (0)10 - / 4 / 13 3

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