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]
1PA306119 100% 0.606 PF00233 C5_S16 - (0)2 - / 4 / 1 1
2PA420920 100% 0.546 PF00891 42 - (31)? - / - / - 0
3PA35465 100% 0.520 PF00657 1 - (0)? - / - / - 0
4PA548520 100% 0.648 PF01510 C4_S118 - (0)2 - / 2 / 2 1
5PA131419 100% 0.433 PF12680 20 - (0)? - / - / - 0
6PA544520 100% 0.550 PF02550 1 - (0)? - / - / - 0
7PA44606 100% 0.506 PF03968 0 - (0)? - / - / - 0
8PA037220 100% 0.560 PF05193 8 - (0)? - / - / - 0
9PA266631 100% 0.533 PF01242 C6_S129 - (16)6 - / - / 20 3
10PA315529 100% 0.601 PF01041 C1_S193 - (0)12 1 / 6 / 7 5
11PA059320 100% 0.656 PF04166 C3_S120 - (4)3 - / - / 4 2
12PA100317 100% 0.518 PF03466 C4_S110 - (0)3 - / 2 / 2 3
13PA285619 100% 0.696 PF00404 C2_S112 - (0)2 - / - / 1 1
14PA463118 100% 0.573 PF01370 47 - (36)? - / - / - 0
15PA126820 100% 0.651 PF05544 C3_S115 - (2)5 - / - / 10 1
16PA101062 100% 0.651 PF00701 C7_S1101 - (97)11 - / - / 14 2
17PA461620 100% 0.498 PF03480 30 - (1)? - / - / - 0
18PA400639 100% 0.577 PF01467 C3_S177 - (44)20 8 / 9 / 15 5
19PA09717 100% 0.555 PF02575 C1_S12 - (0)1 - / - / 2 1
20PA388517 100% 0.749 PF00782 4 - (0)? - / - / - 0
21PA413515 100% 0.613 PF01047 27 - (0)? - / - / - 0
22PA289020 100% 0.430 PF00378 0 - (0)? - / - / - 0
23PA45117 100% 0.527 PF03746 3 - (1)? - / - / - 0
24PA440668 100% 0.532 PF03331 C8_S1107 - (0)20 1 / 39 / 20 21
25PA278016 100% 0.562 PF08671 C1_S130 - (0)2 - / - / 8 0
26PA364535 100% 0.511 PF07977 C2_S126 - (1)19 - / - / 17 1
27PA211332 100% 0.226 PF00267 C6_S1120 - (0)2 - / - / 4 0
28PA15092 100% 0.560 PF01134 3 - (0)? - / - / - 0
29PA12442 100% 0.413 PF02798 0 - (0)? - / - / - 0
30PA44728 100% 0.537 PF00107 6 - (6)? - / - / - 0
31PA467227 100% 0.612 PF01195 C2_S123 - (0)14 - / 1 / 9 6
32PA26158 100% 0.667 PF01580 C3_S16 - (6)? - / 1 / - 0
33PA550820 100% 0.536 PF03951 0 - (0)? - / - / - 0
34PA536516 100% 0.584 PF01895 0 - (0)? - / - / - 0
35PA321726 100% 0.675 PF00211 C3_S186 - (66)6 - / 2 / 23 2
36PA283120 100% 0.595 PF02244 C4_S116 - (0)3 - / - / 2 2
37PA286225 100% 0.484 PF00561 C1_S124 - (0)11 - / - / 11 1
38PA411080 100% 0.579 PF00144 C1_S199 - (0)20 - / - / 58 32
39PA484835 100% 0.655 PF02786 C1_S160 - (33)20 2 / 17 / 11 12
40PA518518 100% 0.491 PF03061 22 - (6)1 - / - / - 0
41PA137520 100% 0.625 PF02826 C4_S142 - (34)2 4 / - / - 1
42PA368517 100% 0.442 PF00814 9 - (1)? - / - / - 0
43PA44825 100% 0.492 PF02686 0 - (0)? - / - / - 0
44PA372486 100% 0.760 PF02868 C12_S1159 - (0)20 - / 21 / 28 36
45PA028820 100% 0.544 PF00491 3 - (1)? - / - / - 0
46PA489824 100% 0.311 PF00267 C8_S170 - (0)3 - / - / 2 0
47PA161036 100% 0.603 PF07977 C8_S132 - (3)14 - / - / 17 4
48PA413731 100% 0.253 PF00267 C9_S1100 - (0)2 - / - / 4 0
49PA384220 100% 0.487 PF05932 2 - (0)? - / - / - 0
50PA366620 100% 0.507 PF14602 C2_S127 - (11)2 - / - / 1 1

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