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]
200PA460274 75% 0.548 PF00464 C1_S198 - (44)16 - / 2 / 52 4
201PA096720 57% 0.607 PF05496 C1_S124 - (0)7 - / 10 / 5 4
202PA291236 39% 0.554 PF00005 C1_S131 - (0)9 - / - / 20 4
203PA393535 77% 0.553 PF02668 C13_S156 - (41)8 - / - / 19 4
204PA255240 76% 0.489 PF02771 C2_S165 - (54)8 11 / 13 / 5 4
205PA444222 36% 0.505 PF03143 C5_S125 - (0)5 - / 7 / 2 4
206PA261226 57% 0.440 PF00587 C2_S126 - (26)7 - / 10 / 10 4
207PA165426 40% 0.553 PF00155 C1_S158 - (30)19 7 / 2 / 14 4
208PA551624 58% 0.542 PF08543 C4_S152 - (26)12 - / 2 / 10 4
209PA421121 90% 0.574 PF03284 C1_S148 - (1)12 - / 3 / 11 4
210PA048217 70% 0.560 PF01274 C3_S19 - (4)4 - / - / 4 4
211PA340648 40% 0.384 PF00005 C2_S149 - (0)7 - / 12 / 21 4
212PA297826 49% 0.467 PF01451 C9_S122 - (2)11 - / - / 14 4
213PA420139 46% 0.489 PF01820 C1_S183 - (57)12 - / 13 / 15 4
214PA133741 84% 0.795 PF00710 C8_S129 - (29)14 - / - / 18 4
215PA532171 70% 0.462 PF00692 C4_S1108 - (90)11 - / - / 35 4
216PA363331 45% 0.555 PF01128 C3_S140 - (27)9 - / 12 / 4 4
217PA317020 100% 0.532 PF01979 C1_S118 - (10)7 - / 1 / 6 4
218PA464638 69% 0.545 PF00156 C6_S151 - (44)8 - / 5 / 16 4
219PA405119 41% 0.450 PF02769 C5_S148 - (0)9 - / - / 13 4
220PA163624 44% 0.569 PF00512 C3_S134 - (24)7 1 / 7 / 4 4
221PA514121 35% 0.735 PF00977 C3_S130 - (4)7 3 / 2 / 4 4
222PA014330 42% 0.610 PF01156 C5_S145 - (27)9 - / - / 22 4
223PA019634 67% 0.360 PF02776 C6_S147 - (38)10 30 / - / - 4
224PA493037 40% 0.445 PF01168 C4_S163 - (57)15 - / 6 / 16 4
225PA467026 68% 0.682 PF13793 C9_S129 - (24)6 - / - / 16 4
226PA542631 71% 0.630 PF00731 C6_S135 - (25)13 - / 2 / 17 4
227PA248014 35% 0.395 PF00512 C3_S132 - (25)5 - / 3 / 2 4
228PA340724 100% 0.568 PF06438 C3_S135 - (0)10 21 / 1 / 2 4
229PA490920 53% 0.522 PF00005 C1_S126 - (0)5 - / 4 / 4 4
230PA079420 42% 0.489 PF00694 C2_S130 - (11)9 - / - / 5 4
231PA179630 100% 0.571 PF02882 C7_S150 - (38)14 - / 15 / 10 4
232PA119743 36% 0.526 PF02146 C4_S1154 - (38)18 5 / 5 / 9 4
233PA492321 47% 0.535 PF03641 C2_S119 - (4)8 - / - / 7 4
234PA177749 41% 0.533 PF00691 C4_S159 - (0)8 - / - / 31 4
235PA296622 88% 0.801 PF00550 C4_S111 - (0)10 - / - / 6 4
236PA050120 48% 0.573 PF00155 C1_S132 - (21)6 - / - / 9 4
237PA190021 98% 0.595 PF12680 C1_S150 - (1)12 - / 3 / 11 4
238PA532327 100% ? PF00696 C1_S145 - (40)7 - / 2 / 14 4
239PA356820 41% 0.568 PF13193 C3_S183 - (57)8 - / 15 / 9 4
240PA363643 100% 0.554 PF00793 C3_S146 - (36)13 - / - / 17 4
241PA017820 51% 0.439 PF07194 C1_S123 - (22)7 - / 3 / 10 4
242PA485520 79% 0.541 PF02844 C2_S137 - (25)7 - / 2 / 8 4
243PA536118 40% 0.384 PF00512 C1_S127 - (23)8 2 / 10 / 1 4
244PA138441 56% 0.640 PF01370 C1_S1151 - (126)10 41 / 4 / - 4
245PA122120 100% 0.578 PF13193 C2_S156 - (30)8 2 / 5 / 1 4
246PA235039 47% 0.468 PF00005 C1_S127 - (0)7 - / 4 / 15 4
247PA297933 100% 0.503 PF02348 C1_S154 - (42)10 - / 11 / 10 4
248PA161036 100% 0.603 PF07977 C8_S132 - (3)14 - / - / 17 4
249PA369256 45% 0.625 PF00691 C7_S156 - (0)9 - / - / 30 4
250PA156220 53% 0.517 PF00694 C5_S130 - (11)9 - / 1 / 4 4

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