Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
UP000002438 (Pseudomonas aeruginosa - Jan 2016)

Download : Data.csv | 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]
1PA103220 27% 0.394 -4 - (0)? - / - / - 0
2PA13240 39% 0.392 -13 - (0)? - / - / - 0
3PA01350 69% 0.769 -0 - (0)? - / - / - 0
4PA13815 28% 0.694 -0 - (0)? - / - / - 0
5PA141020 61% 0.629 -C3_S141 - (0)4 - / - / 3 1
6PA14740 18% 0.354 -2 - (0)? - / - / - 0
7PA14760 20% -0.143 -0 - (0)? - / - / - 0
8PA153118 16% 0.363 -19 - (0)? - / - / - 0
9PA15910 39% -0.111 -0 - (0)? - / - / - 0
10PA160415 24% 0.539 -21 - (0)? - / - / - 0
11PA16410 36% 0.278 -1 - (0)? - / - / - 0
12PA18890 19% 0.276 -1 - (0)? - / - / - 0
13PA189312 32% 0.331 -50 - (6)? - / - / - 0
14PA19130 28% -0.042 -3 - (0)? - / - / - 0
15PA19850 46% -0.002 -1 - (0)? - / - / - 0
16PA19943 100% 0.491 -C6_S13 - (0)2 - / - / 2 1
17PA20040 44% 0.448 -0 - (0)? - / - / - 0
18PA020318 33% 0.553 -35 - (0)? - / - / - 0
19PA20450 20% 0.178 -0 - (0)? - / - / - 0
20PA20490 36% 0.391 -4 - (1)? - / - / - 0
21PA21540 42% 0.213 -0 - (0)? - / - / - 0
22PA21730 30% 0.072 -0 - (0)? - / - / - 0
23PA23640 31% 0.270 -6 - (0)? - / - / - 0
24PA02390 22% 0.230 -1 - (0)? - / - / - 0
25PA25304 30% 0.404 -2 - (0)? - / - / - 0
26PA02580 52% 0.395 -1 - (0)? - / - / - 0
27PA26460 31% -0.167 -23 - (0)? - / - / - 0
28PA28000 43% 0.189 -0 - (0)? - / - / - 0
29PA029519 39% 0.589 -41 - (0)2 - / - / - 0
30PA29460 19% 0.247 -1 - (0)? - / - / - 0
31PA30491 53% 0.078 -1 - (0)? - / - / - 0
32PA30510 37% 0.036 -0 - (0)? - / - / - 0
33PA30750 32% 0.085 -1 - (0)? - / - / - 0
34PA03460 25% 0.170 -1 - (0)? - / - / - 0
35PA03520 26% -0.007 -12 - (0)? - / - / - 0
36PA35360 50% 0.105 -0 - (0)? - / - / - 0
37PA361020 35% 0.592 -28 - (0)1 - / - / - 0
38PA36966 100% 0.401 -0 - (0)? - / - / - 0
39PA37840 30% 0.065 -0 - (0)? - / - / - 0
40PA38430 26% 0.199 -6 - (0)? - / - / - 0
41PA38500 21% 0.059 -0 - (0)? - / - / - 0
42PA38970 35% 0.177 -1 - (0)? - / - / - 0
43PA03980 31% -0.095 -0 - (0)? - / - / - 0
44PA40180 26% 0.109 -0 - (0)? - / - / - 0
45PA404918 20% 0.417 -12 - (0)? - / - / - 0
46PA41549 39% 0.528 -2 - (0)? - / - / - 0
47PA43040 36% 0.109 -1 - (0)? - / - / - 0
48PA43083 26% 0.426 -1 - (0)? - / - / - 0
49PA43705 35% 0.272 -2 - (0)? - / - / - 0
50PA43726 30% 0.548 -2 - (0)? - / - / - 0

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