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]
200PA363555 76% 0.620 PF03952 C1_S138 - (30)10 - / 3 / 26 5
201PA292637 72% 0.575 PF00005 C1_S143 - (0)10 - / 15 / 13 5
202PA376824 36% 0.533 PF07732 C1_S128 - (19)10 - / - / 2 1
203PA297933 100% 0.503 PF02348 C1_S154 - (42)10 - / 11 / 10 4
204PA219730 46% 0.511 PF00107 C2_S154 - (38)10 - / 9 / 4 1
205PA474930 44% 0.564 PF00408 C2_S112 - (12)10 - / - / 3 1
206PA397622 37% 0.607 PF02581 C3_S151 - (41)10 - / 2 / 18 3
207PA389136 40% 0.579 PF08402 C3_S143 - (0)10 - / 13 / 2 4
208PA032121 50% 0.585 PF00850 C8_S132 - (0)10 - / - / 9 4
209PA020638 45% 0.534 PF08402 C1_S126 - (0)10 - / 10 / 8 5
210PA469420 100% 0.637 PF00670 C3_S134 - (24)10 4 / 1 / 4 3
211PA065124 52% 0.585 PF00218 C2_S121 - (7)10 - / 5 / 4 5
212PA226333 50% 0.529 PF02826 C1_S165 - (51)10 9 / 7 / 3 3
213PA045537 46% 0.632 PF00271 C4_S157 - (0)10 - / 5 / 12 6
214PA037441 42% 0.545 PF08402 C1_S141 - (0)10 - / 14 / 7 5
215PA554927 64% 0.572 PF01380 C1_S115 - (14)10 - / - / 11 5
216PA515231 62% 0.639 PF08402 C1_S138 - (0)10 - / 17 / 6 5
217PA140920 52% 0.576 PF00850 C8_S141 - (0)10 - / - / 9 4
218PA381436 75% 0.513 PF00266 C1_S166 - (50)10 - / - / 30 2
219PA305055 57% 0.557 PF01180 C1_S1185 - (115)10 51 / 5 / 5 5
220PA375923 43% 0.628 PF01380 C4_S118 - (15)10 - / - / 9 5
221PA318746 48% 0.580 PF08402 C2_S137 - (0)10 - / 18 / 8 5
222PA445643 39% 0.544 PF00005 C1_S132 - (0)10 - / 5 / 20 5
223PA385330 47% 0.391 PF00132 C1_S159 - (30)10 - / - / 11 2
224PA279635 60% 0.562 PF00923 C5_S135 - (0)10 - / 4 / 11 3
225PA227522 56% 0.552 PF00107 C1_S140 - (28)10 7 / 2 / 3 3
226PA142943 65% 0.446 PF08282 C1_S146 - (31)10 - / 5 / 9 3
227PA138441 56% 0.640 PF01370 C1_S1151 - (126)10 41 / 4 / - 4
228PA019634 67% 0.360 PF02776 C6_S147 - (38)10 30 / - / - 4
229PA393737 42% 0.564 PF08402 C1_S127 - (0)10 - / 3 / 14 5
230PA399215 35% 0.546 PF13406 C3_S127 - (0)10 - / - / 5 3
231PA427756 89% 0.605 PF03143 C2_S161 - (0)10 11 / 27 / 10 5
232PA497531 43% 0.501 PF02525 C1_S1205 - (101)10 - / 6 / 2 1
233PA066824 49% 0.569 PF00579 C1_S134 - (26)10 - / 5 / 5 2
234PA261717 51% 0.612 PF03588 C8_S120 - (0)10 3 / 3 / 8 3
235PA400113 100% 0.644 PF00062 C4_S126 - (0)10 - / - / 5 3
236PA296622 88% 0.801 PF00550 C4_S111 - (0)10 - / - / 6 4
237PA285740 45% 0.487 PF00005 C1_S126 - (0)10 - / 3 / 18 5
238PA528326 34% 0.542 PF00155 C1_S140 - (22)10 - / 6 / 3 3
239PA497315 71% 0.475 PF01964 C5_S127 - (2)10 - / 4 / 11 3
240PA032637 43% 0.553 PF08402 C2_S129 - (0)10 - / 11 / 6 5
241PA002545 70% 0.587 PF08501 C7_S169 - (64)10 8 / 8 / 20 5
242PA043235 58% 0.484 PF00670 C3_S147 - (44)10 15 / 6 / 3 4
243PA337531 34% 0.459 PF00005 C1_S127 - (0)10 - / 13 / 5 5
244PA133931 59% 0.594 PF08402 C1_S127 - (0)10 - / 15 / 7 5
245PA053039 40% 0.507 PF00202 C1_S171 - (35)9 - / 1 / 17 7
246PA079420 42% 0.489 PF00694 C2_S130 - (11)9 - / - / 5 4
247PA114830 99% 0.575 PF09102 C8_S130 - (1)9 - / 4 / 7 7
248PA445838 76% 0.549 PF08282 C3_S123 - (3)9 - / - / 5 2
249PA528873 78% 0.642 PF00543 C4_S181 - (0)9 - / 28 / 39 5
250PA399923 100% 0.488 PF00768 C4_S130 - (0)9 - / - / 10 5

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