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]
1PA000114 38% 0.508 PF09336 C4_S114 - (0)2 - / 6 / - 1
2PA000260 100% 0.644 PF02768 C5_S181 - (0)19 1 / 22 / 34 9
3PA00039 43% 0.473 PF04423 11 - (0)? - / - / - 0
4PA000474 74% 0.594 PF01751 C3_S174 - (0)20 6 / 33 / 19 23
5PA00050 38% 0.098 PF00370 5 - (5)? - / - / - 0
6PA000620 58% 0.618 PF08645 C3_S110 - (3)? - / - / 1 0
7PA00075 40% 0.145 PF00034 34 - (27)? - / - / - 0
8PA00080 32% 0.546 PF00750 2 - (0)? - / - / - 0
9PA000912 61% 0.496 PF00587 C6_S116 - (13)3 - / 1 / 3 1
10PA001019 53% 0.604 PF00730 C4_S130 - (0)5 - / - / 3 1
11PA00110 44% 0.482 PF03104 0 - (0)? - / - / - 0
12PA00125 35% 0.395 PF07238 5 - (0)? - / - / - 0
13PA00130 31% 0.234 PF02355 1 - (0)? - / - / - 0
14PA00141 45% 0.355 PF02745 0 - (0)? - / - / - 0
15PA00156 54% 0.769 PF00515 24 - (0)? - / - / - 0
16PA001617 66% 0.557 PF02254 C3_S135 - (0)2 - / 2 / 1 1
17PA001719 50% 0.545 PF01189 C1_S18 - (0)1 - / 1 / 1 1
18PA001820 66% 0.537 PF00551 C5_S139 - (0)3 - / - / 1 0
19PA001982 100% 0.732 PF01327 C5_S1109 - (26)20 - / 25 / 44 15
20PA00200 46% 0.352 PF00814 7 - (0)? - / - / - 0
21PA002119 47% 0.554 PF03641 4 - (0)? - / - / - 0
22PA002215 51% 0.532 PF01300 C3_S110 - (0)? - / - / 1 0
23PA002320 75% 0.548 PF00107 C1_S151 - (27)4 9 / - / - 2
24PA002417 70% 0.473 PF01218 C5_S19 - (0)4 - / - / 2 1
25PA002545 70% 0.587 PF08501 C7_S169 - (64)10 8 / 8 / 20 5
26PA00262 19% 0.218 PF00882 2 - (0)? - / - / - 0
27PA002714 29% 0.551 PF09312 1 - (0)? - / - / - 0
28PA00280 38% 0.469 PF00488 5 - (0)? - / - / - 0
29PA002912 32% 0.385 PF01740 8 - (0)? - / - / - 0
30PA003017 43% 0.615 PF04069 28 - (0)2 - / - / - 0
31PA003114 30% 0.468 PF00884 16 - (3)? - / - / - 0
32PA003215 27% 0.453 PF03466 9 - (0)? - / - / - 0
33PA003317 44% 0.580 PF01627 1 - (0)? - / - / - 0
34PA003419 38% 0.633 PF00072 29 - (0)? - / - / - 0
35PA003528 43% 0.585 PF00290 C1_S159 - (32)9 - / 1 / 8 7
36PA003671 61% 0.594 PF00291 C2_S1104 - (98)14 6 / 14 / 37 9
37PA003713 29% 0.392 PF03466 9 - (0)? - / - / - 0
38PA003824 62% 0.594 PF07311 C15_S148 - (0)3 - / - / 1 0
39PA00390 37% 0.747 PF00543 1 - (0)? - / - / - 0
40PA00408 30% 0.205 PF07244 0 - (0)? - / - / - 0
41PA00417 39% 0.447 PF05860 0 - (0)? - / - / - 0
42PA00421 43% 0.150 PF00762 6 - (0)? - / - / - 0
43PA00430 38% 0.058 PF04444 8 - (0)? - / - / - 0
44PA00448 74% 0.651 PF09020 C4_S112 - (0)4 - / - / 5 1
45PA00455 28% 0.509 PF03783 0 - (0)? - / - / - 0
46PA004612 33% 0.473 PF00515 1 - (0)? - / - / - 0
47PA00472 51% 0.425 PF05351 0 - (0)? - / - / - 0
48PA004816 44% 0.536 PF01381 12 - (0)? - / - / - 0
49PA00497 23% 0.311 PF01470 3 - (0)? - / - / - 0
50PA00500 32% 0.218 PF00046 1 - (0)? - / - / - 0

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