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]
200PA46618 100% 0.349 PF01389 36 - (0)2 - / - / - 0
201PA308622 100% 0.370 PF12122 C2_S167 - (0)6 - / - / 10 1
202PA278016 100% 0.562 PF08671 C1_S130 - (0)2 - / - / 8 0
203PA038115 100% 0.513 PF01680 18 - (5)? - / - / - 0
204PA550820 100% 0.536 PF03951 0 - (0)? - / - / - 0
205PA35465 100% 0.520 PF00657 1 - (0)? - / - / - 0
206PA211332 100% 0.226 PF00267 C6_S1120 - (0)2 - / - / 4 0
207PA458737 100% 0.512 PF00034 C2_S149 - (38)6 34 / 2 / 1 2
208PA296740 100% 0.668 PF00106 C1_S141 - (33)7 10 / 2 / 6 2
209PA072315 100% 0.231 PF05356 0 - (0)? - / - / - 0
210PA333220 100% 0.421 PF12680 C4_S155 - (1)5 - / 2 / 10 1
211PA051021 100% 0.617 PF00590 C1_S132 - (30)3 - / 9 / - 1
212PA286225 100% 0.484 PF00561 C1_S124 - (0)11 - / - / 11 1
213PA123418 100% 0.616 PF00085 4 - (0)? - / - / - 0
214PA420920 100% 0.546 PF00891 42 - (31)? - / - / - 0
215PA187116 100% 0.559 PF01551 C3_S13 - (0)2 - / - / 1 1
216PA089618 100% 0.523 PF00583 C4_S119 - (6)1 - / - / 2 0
217PA378713 100% 0.610 PF01551 2 - (0)? - / - / - 0
218PA030020 100% 0.657 PF01547 C1_S136 - (0)4 - / - / 5 2
219PA175620 100% 0.477 PF01507 8 - (4)? - / - / - 0
220PA440746 100% 0.812 PF00091 C2_S155 - (0)10 - / 26 / 17 5
221PA261419 100% 0.532 PF03548 4 - (0)? - / - / - 0
222PA352839 100% 0.603 PF00929 C1_S159 - (52)5 4 / 25 / 7 2
223PA422120 100% 0.245 PF00593 C5_S135 - (0)1 - / - / 2 1
224PA494443 100% 0.644 PF01423 C4_S132 - (0)14 - / - / 15 3
225PA463118 100% 0.573 PF01370 47 - (36)? - / - / - 0
226PA327914 100% 0.361 PF00267 2 - (0)? - / - / - 0
227PA469420 100% 0.637 PF00670 C3_S134 - (24)10 4 / 1 / 4 3
228PA354713 100% 0.566 PF05426 C7_S117 - (0)1 - / - / 1 1
229PA080720 100% 0.678 PF01510 C2_S116 - (0)1 - / 2 / 2 1
230PA137520 100% 0.625 PF02826 C4_S142 - (34)2 4 / - / - 1
231PA306119 100% 0.606 PF00233 C5_S16 - (0)2 - / 4 / 1 1
232PA516373 100% 0.823 PF00483 C1_S153 - (13)20 - / 14 / 48 17
233PA054821 100% 0.602 PF00456 C1_S14 - (4)1 - / - / 1 1
234PA533432 100% 0.575 PF03725 C1_S119 - (0)4 - / 1 / 9 2
235PA164843 100% 0.604 PF00107 C1_S156 - (41)8 21 / 4 / 2 2
236PA024027 100% ? PF00267 C5_S1112 - (0)2 - / - / 6 0
237PA08563 100% 0.727 PF13442 23 - (0)? - / - / - 0
238PA12506 100% 0.477 PF02974 0 - (0)? - / - / - 0
239PA008619 100% 0.629 PF00515 C6_S16 - (0)? 2 / - / - 0
240PA039520 100% 0.633 PF01268 C1_S127 - (1)4 - / 3 / 4 3
241PA413731 100% 0.253 PF00267 C9_S1100 - (0)2 - / - / 4 0
242PA517239 100% 0.867 PF02729 C7_S146 - (36)12 - / 8 / 17 5
243PA120618 100% 0.285 PF10604 20 - (0)? - / - / - 0
244PA504112 100% 0.511 PF02427 0 - (0)? - / - / - 0
245PA511218 100% 0.293 PF00657 C2_S18 - (0)2 - / - / 2 0
246PA296421 100% 0.560 PF01063 C5_S142 - (31)3 - / - / 6 2
247PA490727 100% 0.590 PF00106 C1_S143 - (33)4 13 / - / - 2
248PA161036 100% 0.603 PF07977 C8_S132 - (3)14 - / - / 17 4
249PA036214 100% 0.565 PF00037 114 - (0)? - / - / - 0
250PA51485 100% 0.426 PF04362 2 - (0)? - / - / - 0

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