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]
1B0VKM65 26% 0.37 -1 - (0)? - / - / - 0
2B0VPF818 64% 0.54 -17 - (0)? - / - / - 0
3B0VPU323 46% 0.60 -C2_S121 - (4)5 - / - / 1 0
4B0VQ660 46% 0.07 -191 - (0)? - / - / - 0
5B0VQK40 25% 0.45 -0 - (0)? - / - / - 0
6B0VKT610 17% 0.37 -3 - (0)? - / - / - 0
7B0VR465 24% 0.28 -1 - (0)? - / - / - 0
8B0VRJ80 27% 0.13 -10 - (0)? - / - / - 0
9B0VRR73 38% 0.23 -0 - (0)? - / - / - 0
10B0VRR89 29% 0.11 -4 - (0)? - / - / - 0
11B0VRU02 38% 0.38 -23 - (0)? - / - / - 0
12B0VRW517 59% 0.46 -4 - (0)? - / - / - 0
13B0VS600 42% 0.42 -100 - (0)? - / - / - 0
14B0VKY99 31% 0.17 -2 - (0)? - / - / - 0
15B0VSB40 35% 0.06 -1 - (0)? - / - / - 0
16B0VSV20 32% 0.20 -1 - (0)? - / - / - 0
17B0VSZ70 42% -0.17 -3 - (0)? - / - / - 0
18B0VT130 17% ? -0 - (0)? - / - / - 0
19B0VTG60 27% 0.34 -10 - (0)? - / - / - 0
20B0VTI83 14% 0.29 -0 - (0)? - / - / - 0
21B0VUI10 36% 0.13 -0 - (0)? - / - / - 0
22B0VUM24 38% 0.67 -0 - (0)? - / - / - 0
23B0VUT25 31% 0.35 -11 - (0)? - / - / - 0
24B0VLI32 37% 0.42 -0 - (0)? - / - / - 0
25B0VLM45 35% 0.36 -1 - (0)? - / - / - 0
26B0VM995 18% 0.39 -1 - (0)? - / - / - 0
27B0VMD60 25% -0.01 -38 - (0)? - / - / - 0
28B0VMH52 17% 0.33 -0 - (0)? - / - / - 0
29B0VMN43 34% 0.35 -2 - (0)? - / - / - 0
30B0VMN54 25% 0.53 -1 - (0)? - / - / - 0
31B0VMQ69 30% 0.48 -1 - (0)? - / - / - 0
32B0VMR90 37% 0.79 -3 - (0)? - / - / - 0
33B0VN930 41% 0.36 -11 - (0)? - / - / - 0
34B0VLD410 49% 0.32 PF00001 30 - (0)? - / - / - 0
35B0VPM74 32% 0.60 PF00004 C4_S112 - (0)1 - / 1 / - 1
36B0VSX30 37% 0.46 PF00004 1 - (0)? - / - / - 0
37B0VQ750 41% 0.19 PF00005 8 - (0)? - / - / - 0
38B0VTQ70 30% 0.27 PF00005 2 - (0)? - / - / - 0
39B0VP689 30% ? PF00005 8 - (0)? - / - / - 0
40B0VMK618 37% 0.46 PF00005 C1_S113 - (0)2 - / - / 2 0
41B0VPD819 71% 0.56 PF00005 C1_S112 - (0)3 - / 1 / 2 0
42B0VS0718 33% 0.35 PF00005 5 - (0)? - / - / - 0
43B0VS6620 66% 0.59 PF00005 C1_S122 - (0)4 - / 8 / - 2
44B0VR1013 32% ? PF00005 6 - (0)? - / - / - 0
45B0VUX321 37% 0.45 PF00005 C1_S123 - (0)8 - / 4 / 4 1
46B0VS6315 29% ? PF00005 8 - (0)? - / - / - 0
47B0VNJ425 35% 0.49 PF00005 C1_S118 - (0)4 - / 1 / 5 1
48B0VL9420 35% 0.55 PF00005 C2_S127 - (0)6 - / 2 / - 0
49B0VN8511 59% 0.51 PF00005 29 - (0)1 - / - / - 0
50B0VT5855 50% 0.60 PF00005 C1_S160 - (0)15 - / 5 / 36 7

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