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]
150PA179630 100% 0.571 PF02882 C7_S150 - (38)14 - / 15 / 10 4
151PA100018 100% 0.561 PF00753 C1_S130 - (2)3 - / 1 / 2 2
152PA368517 100% 0.442 PF00814 9 - (1)? - / - / - 0
153PA29476 100% 0.650 PF07311 8 - (0)2 - / - / - 0
154PA080720 100% 0.678 PF01510 C2_S116 - (0)1 - / 2 / 2 1
155PA529218 100% 0.655 PF00702 6 - (0)? - / - / - 0
156PA442522 100% 0.591 PF13580 C6_S114 - (10)3 - / - / 8 2
157PA467227 100% 0.612 PF01195 C2_S123 - (0)14 - / 1 / 9 6
158PA352839 100% 0.603 PF00929 C1_S159 - (52)5 4 / 25 / 7 2
159PA421620 100% 0.583 PF01243 C1_S182 - (27)3 - / 5 / 3 1
160PA313316 100% 0.615 PF00440 25 - (0)? - / - / - 0
161PA15092 100% 0.560 PF01134 3 - (0)? - / - / - 0
162PA17204 100% 0.694 PF00873 2 - (0)? - / - / - 0
163PA37192 100% 0.553 PF05400 0 - (0)? - / - / - 0
164PA348411 100% 0.480 PF00062 0 - (0)? - / - / - 0
165PA030020 100% 0.657 PF01547 C1_S136 - (0)4 - / - / 5 2
166PA042520 100% 0.574 PF00529 0 - (0)? - / - / - 0
167PA101062 100% 0.651 PF00701 C7_S1101 - (97)11 - / - / 14 2
168PA394732 100% 0.649 PF00072 C2_S127 - (0)5 - / 9 / 6 2
169PA067219 100% 0.476 PF01126 C4_S119 - (2)3 7 / - / - 1
170PA16455 100% 0.509 PF01753 0 - (0)? - / - / - 0
171PA12506 100% 0.477 PF02974 0 - (0)? - / - / - 0
172PA399923 100% 0.488 PF00768 C4_S130 - (0)9 - / - / 10 5
173PA385921 100% 0.616 PF02230 C1_S127 - (9)8 - / - / 5 1
174PA131419 100% 0.433 PF12680 20 - (0)? - / - / - 0
175PA30987 100% 0.435 PF00114 0 - (0)? - / - / - 0
176PA030120 100% 0.659 PF01547 C2_S132 - (0)1 - / - / 2 1
177PA311620 100% 0.560 PF02774 41 - (20)1 - / - / - 0
178PA44728 100% 0.537 PF00107 6 - (6)? - / - / - 0
179PA504112 100% 0.511 PF02427 0 - (0)? - / - / - 0
180PA441220 100% 0.633 PF03033 C2_S125 - (13)5 - / 3 / 2 2
181PA126820 100% 0.651 PF05544 C3_S115 - (2)5 - / - / 10 1
182PA502617 100% 0.512 PF03061 4 - (0)? - / - / - 0
183PA066620 100% 0.622 PF03702 C2_S134 - (21)2 - / 2 / 2 2
184PA347517 100% 0.605 PF10613 C1_S140 - (0)1 - / - / 2 0
185PA025419 100% 0.519 PF01977 C8_S18 - (0)2 1 / 1 / - 2
186PA051937 100% 0.807 PF13442 C3_S160 - (2)8 26 / 9 / - 2
187PA510620 100% 0.629 PF01979 C1_S117 - (5)5 - / - / 6 2
188PA19943 100% 0.491 -C6_S13 - (0)2 - / - / 2 1
189PA503420 100% 0.599 PF01208 C6_S116 - (10)6 7 / 1 / - 2
190PA048011 100% 0.553 PF13419 C1_S1121 - (0)1 - / - / 1 0
191PA296254 100% 0.561 PF01712 C2_S184 - (46)20 3 / 36 / 12 21
192PA256730 100% 0.412 PF00196 C4_S123 - (0)5 1 / 3 / 10 2
193PA527919 100% 0.596 PF00233 11 - (3)1 - / - / - 0
194PA533221 100% 0.566 PF03372 C3_S185 - (1)1 - / - / 1 0
195PA374412 100% 0.558 PF01782 0 - (0)? - / - / - 0
196PA180675 100% 0.597 PF00106 C1_S1148 - (85)20 56 / 21 / 7 11
197PA208624 100% 0.625 PF00561 C1_S144 - (0)6 - / - / 6 2
198PA333340 100% 0.577 PF08541 C2_S151 - (30)15 - / 7 / 13 2
199PA400639 100% 0.577 PF01467 C3_S177 - (44)20 8 / 9 / 15 5
200PA107911 100% 0.588 PF03646 8 - (0)2 - / - / - 0

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