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]
1PA33050 35% 0.950 PF00012 0 - (0)? - / - / - 0
2PA28160 36% 0.931 PF00004 0 - (0)? - / - / - 0
3PA146712 33% 0.914 PF02295 4 - (0)? - / - / - 0
4PA45280 33% 0.907 PF04135 0 - (0)? - / - / - 0
5PA20300 35% 0.903 PF04810 0 - (0)? - / - / - 0
6PA532220 100% 0.897 PF00408 C1_S117 - (15)11 - / 3 / 8 7
7PA119520 100% 0.884 PF02274 C3_S117 - (12)12 - / - / 10 7
8PA158922 88% 0.883 PF00549 C4_S121 - (13)2 - / 10 / - 1
9PA27037 100% 0.870 PF00488 1 - (0)? - / - / - 0
10PA326010 56% 0.868 PF08671 22 - (0)? - / - / - 0
11PA059811 44% 0.867 PF01556 1 - (0)? - / - / - 0
12PA517239 100% 0.867 PF02729 C7_S146 - (36)12 - / 8 / 17 5
13PA095015 57% 0.864 PF03960 10 - (0)? - / - / - 0
14PA509823 81% 0.861 PF00221 C8_S18 - (0)3 - / - / 1 0
15PA124920 100% 0.854 PF08548 0 - (0)? - / - / - 0
16PA257211 61% 0.846 PF00072 15 - (0)1 - / - / - 0
17PA48068 42% 0.844 PF00072 C5_S18 - (0)1 - / - / 1 0
18PA33403 53% 0.844 PF00067 0 - (0)? - / - / - 0
19PA336419 98% 0.840 PF07562 C1_S138 - (0)3 - / - / 3 1
20PA238411 40% 0.838 PF01475 1 - (0)? - / - / - 0
21PA018317 98% 0.837 PF00884 C4_S120 - (4)6 - / - / 3 2
22PA314416 30% 0.834 PF03221 12 - (0)? - / - / - 0
23PA524327 100% 0.824 PF00490 C10_S128 - (18)13 - / - / 12 3
24PA024737 100% 0.824 PF01494 C1_S1105 - (94)6 36 / 1 / 1 4
25PA33349 100% 0.824 PF00550 5 - (0)? - / - / - 0
26PA078011 33% 0.823 PF12833 29 - (0)? - / - / - 0
27PA516373 100% 0.823 PF00483 C1_S153 - (13)20 - / 14 / 48 17
28PA262336 78% 0.823 PF00180 C6_S155 - (51)16 2 / 13 / 22 5
29PA46120 40% 0.821 PF12796 24 - (0)? - / - / - 0
30PA381113 42% 0.820 PF00226 0 - (0)? - / - / - 0
31PA17186 99% 0.819 PF08988 2 - (0)? - / - / - 0
32PA34633 100% 0.812 PF00926 7 - (0)? - / - / - 0
33PA440746 100% 0.812 PF00091 C2_S155 - (0)10 - / 26 / 17 5
34PA13230 42% 0.808 PF01442 0 - (0)? - / - / - 0
35PA051937 100% 0.807 PF13442 C3_S160 - (2)8 26 / 9 / - 2
36PA50601 40% 0.804 PF01442 3 - (0)? - / - / - 0
37PA542125 100% 0.804 PF00107 C1_S1118 - (74)5 7 / - / 5 1
38PA115120 100% 0.802 PF01320 0 - (0)? - / - / - 0
39PA296622 88% 0.801 PF00550 C4_S111 - (0)10 - / - / 6 4
40PA133741 84% 0.795 PF00710 C8_S129 - (29)14 - / - / 18 4
41PA45636 60% 0.794 PF01649 0 - (0)? - / - / - 0
42PA326617 61% 0.792 PF00313 C5_S131 - (0)2 1 / - / - 0
43PA485320 61% 0.792 PF02954 C1_S15 - (0)? - / - / 3 0
44PA438519 82% 0.792 PF00118 0 - (0)? - / - / - 0
45PA332213 32% 0.789 PF13411 7 - (1)? - / - / - 0
46PA190217 100% 0.787 PF00857 C5_S124 - (0)4 - / 3 / - 2
47PA060725 64% 0.785 PF00834 C3_S120 - (14)5 - / - / 4 2
48PA478712 38% 0.780 PF12833 12 - (0)? - / - / - 0
49PA353320 74% 0.779 PF00462 C3_S123 - (0)3 - / - / 10 1
50PA524037 76% 0.779 PF00085 C1_S132 - (0)5 - / - / 12 1

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