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]
50PA43726 30% 0.548 -2 - (0)? - / - / - 0
51PA44533 63% 0.628 -7 - (0)? - / - / - 0
52PA45622 14% 0.402 -3 - (0)? - / - / - 0
53PA47191 28% 0.351 -1 - (0)? - / - / - 0
54PA48640 37% 0.039 -0 - (0)? - / - / - 0
55PA48790 28% 0.110 -2 - (0)? - / - / - 0
56PA513819 27% 0.510 -22 - (0)? - / - / - 0
57PA54510 15% 0.451 -1 - (0)? - / - / - 0
58PA547217 17% 0.441 -21 - (0)? - / - / - 0
59PA547935 38% 0.377 -C9_S123 - (0)4 - / - / 16 2
60PA05540 35% -0.029 -19 - (0)? - / - / - 0
61PA060216 34% 0.487 -33 - (0)? - / - / - 0
62PA06770 40% 0.056 -0 - (0)? - / - / - 0
63PA07020 38% -0.193 -0 - (0)? - / - / - 0
64PA0706_10 50% 0.243 -2 - (0)? - / - / - 0
65PA077717 30% 0.345 -23 - (0)? - / - / - 0
66PA00990 27% 0.194 -0 - (0)? - / - / - 0
67PA23110 44% 0.169 PF00001 3 - (0)? - / - / - 0
68PA17350 33% 0.110 PF00001 2 - (0)? - / - / - 0
69PA50703 39% 0.373 PF00001 9 - (0)? - / - / - 0
70PA46820 20% 0.087 PF00004 2 - (0)? - / - / - 0
71PA432217 46% 0.590 PF00004 30 - (0)1 - / - / - 0
72PA235312 41% 0.465 PF00004 7 - (7)? - / - / - 0
73PA28160 36% 0.931 PF00004 0 - (0)? - / - / - 0
74PA453912 37% 0.302 PF00004 C2_S114 - (13)1 - / - / 1 1
75PA38510 39% 0.560 PF00004 4 - (0)? - / - / - 0
76PA28640 21% 0.216 PF00005 0 - (0)? - / - / - 0
77PA071612 36% 0.414 PF00005 5 - (0)? - / - / - 0
78PA196419 30% 0.370 PF00005 12 - (0)? - / - / - 0
79PA239719 48% 0.338 PF00005 C1_S117 - (16)5 - / 3 / 1 3
80PA459519 74% 0.580 PF00005 C1_S111 - (0)1 - / - / 1 1
81PA367223 35% 0.521 PF00005 C1_S114 - (0)4 - / 6 / 2 2
82PA337621 33% 0.470 PF00005 C2_S110 - (0)4 - / 1 / 3 3
83PA292637 72% 0.575 PF00005 C1_S143 - (0)10 - / 15 / 13 5
84PA383821 31% 0.488 PF00005 C1_S115 - (0)4 - / 4 / 1 2
85PA138620 45% 0.567 PF00005 11 - (0)? - / - / - 0
86PA486120 33% 0.479 PF00005 C1_S120 - (0)4 - / 4 / 3 2
87PA013616 35% 0.445 PF00005 C2_S115 - (0)3 - / 3 / - 1
88PA339422 38% 0.554 PF00005 C1_S115 - (0)5 - / 4 / 1 2
89PA281222 38% 0.561 PF00005 C1_S117 - (0)5 - / 3 / 2 3
90PA147519 35% 0.405 PF00005 15 - (0)? - / - / - 0
91PA107127 34% 0.539 PF00005 C1_S120 - (0)4 - / 8 / 4 2
92PA403723 36% 0.400 PF00005 C1_S121 - (0)5 - / 8 / 2 3
93PA338441 39% 0.495 PF00005 C1_S134 - (0)11 - / 13 / 15 5
94PA491020 37% 0.460 PF00005 C1_S119 - (0)5 - / 8 / 2 3
95PA550021 32% 0.563 PF00005 C1_S19 - (0)2 - / - / 1 1
96PA525218 32% 0.439 PF00005 12 - (0)? - / - / - 0
97PA331421 33% 0.473 PF00005 C1_S112 - (0)7 - / - / 7 5
98PA450660 35% 0.492 PF00005 C1_S149 - (0)12 - / 9 / 35 7
99PA340648 40% 0.384 PF00005 C2_S149 - (0)7 - / 12 / 21 4
100PA337531 34% 0.459 PF00005 C1_S127 - (0)10 - / 13 / 5 5

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