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]
100PA533432 100% 0.575 PF03725 C1_S119 - (0)4 - / 1 / 9 2
101PA306119 100% 0.606 PF00233 C5_S16 - (0)2 - / 4 / 1 1
102PA37192 100% 0.553 PF05400 0 - (0)? - / - / - 0
103PA525915 100% 0.668 PF02602 5 - (0)? - / - / - 0
104PA00948 100% 0.637 PF00072 C5_S14 - (0)2 - / - / 4 1
105PA484835 100% 0.655 PF02786 C1_S160 - (33)20 2 / 17 / 11 12
106PA327020 100% 0.509 PF13302 C1_S122 - (0)? - / 1 / - 0
107PA404357 100% 0.594 PF00348 C1_S176 - (62)20 - / 2 / 40 7
108PA421620 100% 0.583 PF01243 C1_S182 - (27)3 - / 5 / 3 1
109PA369914 100% 0.701 PF00440 25 - (0)? - / - / - 0
110PA518518 100% 0.491 PF03061 22 - (6)1 - / - / - 0
111PA238524 100% 0.563 PF01804 C3_S142 - (0)17 - / 2 / 14 7
112PA06231 100% 0.447 PF00337 4 - (0)? - / - / - 0
113PA467623 100% 0.547 PF00484 C6_S18 - (0)3 - / - / 1 1
114PA278016 100% 0.562 PF08671 C1_S130 - (0)2 - / - / 8 0
115PA339727 100% 0.592 PF00175 C4_S193 - (64)6 22 / 3 / 3 1
116PA112018 100% 0.540 PF00072 42 - (0)? - / - / - 0
117PA517120 100% 0.560 PF02274 C2_S113 - (7)2 - / - / 2 2
118PA286225 100% 0.484 PF00561 C1_S124 - (0)11 - / - / 11 1
119PA467227 100% 0.612 PF01195 C2_S123 - (0)14 - / 1 / 9 6
120PA140319 100% 0.745 PF00440 12 - (0)? - / - / - 0
121PA065260 100% 0.594 PF00325 C2_S199 - (0)4 - / 13 / 29 2
122PA511218 100% 0.293 PF00657 C2_S18 - (0)2 - / - / 2 0
123PA208624 100% 0.625 PF00561 C1_S144 - (0)6 - / - / 6 2
124PA042717 100% 0.424 PF02321 0 - (0)? - / - / - 0
125PA46618 100% 0.349 PF01389 36 - (0)2 - / - / - 0
126PA096320 100% 0.569 PF01336 C7_S135 - (24)6 - / 4 / 3 2
127PA542125 100% 0.804 PF00107 C1_S1118 - (74)5 7 / - / 5 1
128PA178917 100% 0.551 PF00582 19 - (0)? - / - / - 0
129PA400113 100% 0.644 PF00062 C4_S126 - (0)10 - / - / 5 3
130PA350722 100% 0.724 PF00106 C3_S180 - (49)6 - / 3 / 1 1
131PA190520 100% 0.585 PF01243 C1_S182 - (27)3 - / 5 / 3 1
132PA094924 100% 0.601 PF03358 C1_S141 - (24)8 1 / 9 / 2 1
133PA117811 100% 0.192 PF01389 33 - (0)? - / - / - 0
134PA025419 100% 0.519 PF01977 C8_S18 - (0)2 1 / 1 / - 2
135PA437618 100% 0.646 PF04095 C1_S113 - (3)3 - / - / 2 1
136PA213811 100% 0.635 PF13298 C3_S116 - (0)2 - / 1 / 1 2
137PA131419 100% 0.433 PF12680 20 - (0)? - / - / - 0
138PA080720 100% 0.678 PF01510 C2_S116 - (0)1 - / 2 / 2 1
139PA120618 100% 0.285 PF10604 20 - (0)? - / - / - 0
140PA315529 100% 0.601 PF01041 C1_S193 - (0)12 1 / 6 / 7 5
141PA453417 100% 0.515 PF00583 45 - (12)2 - / - / - 0
142PA45353 100% 0.518 PF03320 5 - (0)? - / - / - 0
143PA077327 100% 0.560 PF03740 C5_S126 - (22)6 - / - / 11 3
144PA001982 100% 0.732 PF01327 C5_S1109 - (26)20 - / 25 / 44 15
145PA461620 100% 0.498 PF03480 30 - (1)? - / - / - 0
146PA279418 100% 0.505 PF02973 56 - (0)? - / - / - 0
147PA187116 100% 0.559 PF01551 C3_S13 - (0)2 - / - / 1 1
148PA352839 100% 0.603 PF00929 C1_S159 - (52)5 4 / 25 / 7 2
149PA401920 100% 0.554 PF02441 C5_S121 - (16)3 - / 7 / - 2
150PA13079 100% 0.519 PF01380 6 - (6)? - / - / - 0

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