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]
150B0VPD819 71% 0.56 PF00005 C1_S112 - (0)3 - / 1 / 2 0
151B0VP4826 71% 0.54 PF00486 C2_S132 - (0)4 - / - / 6 0
152B0VLA025 71% 0.56 PF02774 C3_S144 - (1)13 1 / 9 / 7 4
153B0VSA620 71% 0.60 PF02812 C8_S14 - (0)1 1 / - / - 1
154B0VRC723 71% 0.54 PF01336 C7_S135 - (22)7 - / 5 / 8 2
155B0VSH612 71% 0.57 PF01016 2 - (0)? - / - / - 0
156B0VQS413 71% 0.56 PF00189 3 - (0)0 - / - / - 0
157B0VLL215 71% 0.50 PF13932 C5_S112 - (0)2 2 / - / - 1
158B0VRB558 71% 0.48 PF01063 C7_S187 - (80)20 - / 16 / 34 2
159B0VLI621 71% 0.62 PF00578 C1_S117 - (0)6 - / - / 2 0
160B0VLZ659 71% 0.50 PF04560 C5_S188 - (0)0 - / - / 28 0
161B0VQS719 71% 0.55 PF00366 0 - (0)? - / - / - 0
162B0VNJ811 71% 0.30 PF00119 0 - (0)? - / - / - 0
163B0VQU210 71% 0.52 PF01479 1 - (0)? - / - / - 0
164B0VUY526 70% 0.59 PF00175 C4_S192 - (68)7 26 / - / 4 1
165B0VLZ561 70% 0.44 PF04998 C3_S195 - (0)0 - / 2 / 34 0
166B0VNW634 70% 0.57 PF00216 C6_S160 - (0)3 4 / 1 / 9 1
167B0VSL810 70% 0.44 PF03449 5 - (0)? - / - / - 0
168B0VQ8549 70% 0.57 PF00202 C1_S197 - (71)20 - / 5 / 25 5
169B0VQR916 70% 0.57 PF00573 4 - (0)? - / - / - 0
170B0VQE621 70% 0.57 PF03466 C1_S114 - (0)5 - / - / 8 2
171B0VLU227 70% 0.55 PF03143 C5_S183 - (0)14 8 / 12 / 6 3
172B0VTE561 70% 0.51 PF00692 C4_S1175 - (138)18 - / - / 33 4
173B0VTF627 70% 0.60 PF07992 C1_S1154 - (135)9 18 / 2 / 5 4
174B0VLR818 70% 0.68 PF00312 1 - (0)? - / - / - 0
175B0VMJ816 70% 0.39 PF00230 C7_S157 - (0)3 - / - / 1 0
176B0VRL425 70% 0.62 PF12170 C2_S136 - (0)2 - / - / 11 0
177B0VTX320 70% 0.63 PF02261 C3_S115 - (7)4 - / - / 2 0
178B0VR2822 70% 0.61 PF00456 C1_S19 - (0)2 - / - / 2 1
179B0VS1217 70% ? PF02637 C2_S11 - (0)1 - / - / 1 1
180B0VTX021 69% 0.60 PF13793 C9_S127 - (27)8 - / 1 / 13 2
181B0VSK229 69% 0.56 PF00285 C8_S119 - (15)6 - / 3 / 7 2
182B0VQ5619 69% 0.65 PF00886 2 - (0)? - / - / - 0
183B0VSM016 69% 0.57 PF00117 5 - (0)? - / - / - 0
184B0VM1017 69% 0.61 PF01250 5 - (0)? - / - / - 0
185B0VSA810 69% 0.59 PF00730 C2_S1106 - (0)3 1 / 3 / - 0
186B0VRW79 69% 0.45 PF03604 0 - (0)? - / - / - 0
187B0VP9868 69% 0.55 PF00521 C6_S1125 - (0)8 - / 3 / 41 0
188B0VNK014 69% 0.53 PF00430 4 - (0)? - / - / - 0
189B0VTG414 69% 0.57 PF00177 7 - (0)1 - / - / - 0
190B0VNL884 69% 0.73 PF01327 C4_S1122 - (25)20 - / 25 / 42 11
191B0VV2715 69% 0.54 PF00356 C2_S113 - (0)2 - / - / 5 0
192B0VNC514 69% 0.51 PF00472 3 - (0)? - / - / - 0
193B0VT3948 69% 0.51 PF00521 C4_S1111 - (0)8 - / 3 / 29 1
194B0VQ5916 69% 0.67 PF01245 1 - (0)? - / - / - 0
195B0VT845 69% 0.71 PF02472 3 - (0)? - / - / - 0
196B0VQR815 68% 0.40 PF00297 0 - (0)? - / - / - 0
197B0VNI120 68% 0.54 PF02540 C1_S112 - (9)1 - / - / 2 1
198B0VQW411 68% 0.67 PF00156 C2_S137 - (31)4 - / 2 / 3 2
199B0VMD717 68% 0.47 PF01964 C2_S135 - (0)10 - / 4 / 13 3
200B0VSK643 68% 0.54 PF13085 C6_S179 - (0)19 - / - / 25 0

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