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]
50PA00500 32% 0.218 PF00046 1 - (0)? - / - / - 0
51PA00519 42% 0.408 PF13537 16 - (14)? - / - / - 0
52PA005214 23% 0.174 PF05899 6 - (0)? - / - / - 0
53PA00535 35% 0.440 PF02661 10 - (0)? - / - / - 0
54PA00543 33% 0.458 PF00644 5 - (1)? - / - / - 0
55PA00555 46% 0.506 PF04253 4 - (0)1 - / - / - 0
56PA005620 40% 0.418 PF03466 9 - (0)? - / - / - 0
57PA005713 46% 0.474 PF00753 28 - (12)? - / - / - 0
58PA005816 27% 0.419 PF01323 5 - (0)? - / - / - 0
59PA005913 63% 0.443 PF02566 21 - (0)? - / - / - 0
60PA00600 35% 0.284 PF00061 7 - (0)? - / - / - 0
61PA00610 25% 0.021 PF02974 1 - (0)? - / - / - 0
62PA00620 22% 0.197 PF01575 0 - (0)? - / - / - 0
63PA00635 42% 0.218 PF01433 28 - (2)? - / - / - 0
64PA00640 30% 0.213 PF05916 0 - (0)? - / - / - 0
65PA006514 53% 0.510 PF13419 15 - (0)1 - / - / - 0
66PA006620 68% 0.583 PF00132 37 - (13)? - / - / - 0
67PA006719 42% 0.533 PF01432 C2_S18 - (0)? - / - / 1 0
68PA00680 32% 0.194 PF03966 0 - (0)? - / - / - 0
69PA00699 47% 0.341 PF04055 18 - (5)? - / - / - 0
70PA007010 37% 0.095 PF00691 1 - (0)? - / - / - 0
71PA00714 35% 0.358 PF03781 0 - (0)? - / - / - 0
72PA00721 26% 0.460 PF00155 15 - (15)? - / - / - 0
73PA007324 39% 0.451 PF00005 C1_S122 - (0)2 - / - / 4 1
74PA007420 39% 0.536 PF00069 C2_S137 - (10)1 - / 1 / 1 1
75PA007518 43% 0.541 PF00481 7 - (0)2 - / - / - 0
76PA00760 43% 0.164 PF01896 2 - (0)? - / - / - 0
77PA007711 35% 0.528 PF01926 2 - (0)? - / - / - 0
78PA007810 99% 0.483 PF00691 51 - (0)? - / - / - 0
79PA00790 39% 0.132 PF06026 0 - (0)? - / - / - 0
80PA00804 34% 0.429 PF03714 0 - (0)? - / - / - 0
81PA008113 36% 0.599 PF00498 6 - (0)? - / - / - 0
82PA00820 46% 0.458 PF00790 0 - (0)? - / - / - 0
83PA00830 44% 0.337 PF00381 2 - (0)? - / - / - 0
84PA00843 31% 0.412 PF04984 1 - (0)? - / - / - 0
85PA008512 99% 0.441 PF05638 2 - (0)? - / - / - 0
86PA008619 100% 0.629 PF00515 C6_S16 - (0)? 2 / - / - 0
87PA00871 36% 0.304 PF01807 6 - (0)? - / - / - 0
88PA00880 36% 0.234 PF04209 24 - (0)? - / - / - 0
89PA00890 33% 0.214 PF08920 0 - (0)? - / - / - 0
90PA009015 59% 0.464 PF10431 C2_S13 - (0)1 - / 1 / - 1
91PA009115 100% 0.384 PF00959 8 - (0)1 - / - / - 0
92PA00920 32% 0.310 PF00118 0 - (0)? - / - / - 0
93PA00930 40% -0.088 PF04695 2 - (0)? - / - / - 0
94PA00948 100% 0.637 PF00072 C5_S14 - (0)2 - / - / 4 1
95PA009512 82% 0.361 PF00959 27 - (0)? - / - / - 0
96PA00964 39% 0.556 PF11604 0 - (0)? - / - / - 0
97PA00970 32% 0.298 PF00174 0 - (0)? - / - / - 0
98PA009820 30% 0.494 PF02801 10 - (7)? - / - / - 0
99PA00990 27% 0.194 -0 - (0)? - / - / - 0
100PA010013 28% 0.264 PF14870 5 - (0)? - / - / - 0

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