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]
200PA164939 43% 0.531 PF00106 C1_S181 - (68)6 16 / 8 / 2 2
201PA528873 78% 0.642 PF00543 C4_S181 - (0)9 - / 28 / 39 5
202PA534920 100% 0.597 PF07992 C1_S181 - (54)2 3 / - / - 1
203PA342729 57% 0.564 PF00106 C1_S181 - (55)7 - / - / 4 1
204PA000260 100% 0.644 PF02768 C5_S181 - (0)19 1 / 22 / 34 9
205PA350722 100% 0.724 PF00106 C3_S180 - (49)6 - / 3 / 1 1
206PA50310 39% 0.482 PF00106 80 - (63)? - / - / - 0
207PA317325 68% 0.648 PF00106 C1_S180 - (49)7 1 / - / 3 3
208PA215221 60% 0.526 PF00128 C1_S180 - (0)2 - / - / 2 2
209PA338724 100% 0.523 PF00106 C1_S180 - (59)4 3 / - / - 1
210PA329521 46% 0.562 PF01230 C3_S180 - (0)8 - / 1 / 4 3
211PA268020 45% 0.580 PF00107 80 - (51)? - / - / - 0
212PA065639 49% 0.674 PF01230 C5_S179 - (1)18 - / 13 / 18 10
213PA395066 45% 0.537 PF00271 C4_S179 - (0)15 3 / 18 / 34 6
214PA451330 34% 0.511 PF00175 C4_S179 - (68)5 - / 7 / 6 2
215PA153720 35% 0.530 PF00106 79 - (66)? - / - / - 0
216PA058316 35% 0.537 PF01288 C5_S179 - (34)3 - / - / 3 3
217PA532718 31% 0.350 PF01565 C1_S179 - (51)3 2 / 3 / - 2
218PA511080 44% 0.507 PF00316 C7_S178 - (75)8 - / - / 68 5
219PA516127 62% 0.527 PF01370 C1_S178 - (71)4 24 / - / - 2
220PA43618 42% 0.502 PF01370 78 - (62)? - / - / - 0
221PA118727 48% 0.494 PF02771 C2_S178 - (61)5 3 / 9 / 2 3
222PA488912 30% 0.400 PF00175 C1_S178 - (48)2 1 / - / - 1
223PA238620 100% 0.527 PF13434 C6_S178 - (48)4 12 / - / 1 2
224PA242020 47% 0.312 PF00267 C8_S178 - (0)2 - / - / 2 0
225PA102320 45% 0.500 PF00106 C1_S178 - (57)2 - / - / 1 0
226PA145419 54% 0.575 PF01268 C1_S177 - (61)2 - / 2 / 1 1
227PA400639 100% 0.577 PF01467 C3_S177 - (44)20 8 / 9 / 15 5
228PA238236 42% 0.618 PF01070 C2_S177 - (55)10 25 / 1 / 6 4
229PA462625 41% 0.581 PF02826 C1_S176 - (57)6 - / - / 5 0
230PA215820 38% 0.477 PF00107 76 - (47)? - / - / - 0
231PA195030 45% 0.623 PF00294 C1_S176 - (61)8 - / 7 / 19 4
232PA469620 42% 0.569 PF02776 C5_S176 - (33)12 9 / 2 / 8 3
233PA404357 100% 0.594 PF00348 C1_S176 - (62)20 - / 2 / 40 7
234PA018922 42% 0.232 PF00267 C4_S175 - (0)2 - / - / 1 0
235PA418826 33% 0.528 PF00701 C8_S175 - (58)6 - / - / 3 0
236PA093255 70% 0.565 PF00291 C4_S175 - (55)12 - / 2 / 36 6
237PA158444 71% 0.588 PF13085 C2_S175 - (0)17 - / - / 24 0
238PA386318 100% 0.665 PF01266 C1_S175 - (50)3 7 / - / - 2
239PA104923 49% 0.380 PF01243 C1_S175 - (27)6 - / 2 / 11 1
240PA065042 59% 0.604 PF00591 C11_S175 - (1)20 - / 13 / 30 8
241PA276022 45% 0.289 PF00267 C6_S174 - (0)1 - / - / 3 0
242PA379847 55% 0.651 PF00155 C1_S174 - (46)20 - / 5 / 28 6
243PA541614 62% 0.522 PF01266 74 - (57)? - / - / - 0
244PA000474 74% 0.594 PF01751 C3_S174 - (0)20 6 / 33 / 19 23
245PA178120 35% 0.526 PF02852 74 - (57)? - / - / - 0
246PA332820 32% 0.471 PF01494 C1_S174 - (38)2 2 / - / - 1
247PA467811 43% 0.522 PF00583 C2_S174 - (49)4 8 / 3 / 1 2
248PA46199 48% 0.341 PF13442 73 - (39)? - / - / - 0
249PA531332 50% 0.559 PF00202 C1_S173 - (54)12 - / - / 12 0
250PA206225 51% 0.493 PF00266 C1_S173 - (56)4 - / - / 18 1

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