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]
250PA182722 47% 0.631 PF00106 73 - (51)2 - / - / - 0
251PA46199 48% 0.341 PF13442 73 - (39)? - / - / - 0
252PA206225 51% 0.493 PF00266 C1_S173 - (56)4 - / - / 18 1
253PA531332 50% 0.559 PF00202 C1_S173 - (54)12 - / - / 12 0
254PA542020 87% 0.583 PF00551 C6_S172 - (7)1 - / - / 2 0
255PA178218 33% 0.533 PF00069 72 - (19)? - / - / - 0
256PA414371 42% 0.371 PF00005 C1_S172 - (72)9 - / 21 / 33 6
257PA12280 43% 0.684 PF02335 72 - (0)? - / - / - 0
258PA016223 99% 0.283 PF00267 C7_S172 - (0)2 - / - / 4 0
259PA270024 42% 0.244 PF00267 C8_S172 - (0)2 - / - / 7 0
260PA02251 46% 0.372 PF00717 72 - (0)? - / - / - 0
261PA089820 99% 0.514 PF00171 C3_S171 - (0)1 - / 2 / - 0
262PA239821 100% 0.349 PF00593 C6_S171 - (0)1 - / - / 1 0
263PA230020 71% 0.567 PF00704 C1_S171 - (0)11 2 / 1 / 8 3
264PA141720 34% 0.481 PF02776 71 - (36)? - / - / - 0
265PA053039 40% 0.507 PF00202 C1_S171 - (35)9 - / 1 / 17 7
266PA070620 98% 0.494 PF00132 C3_S171 - (37)2 - / - / 2 0
267PA413312 81% 0.390 PF00115 71 - (2)? - / - / - 0
268PA092722 100% 0.617 PF02826 C2_S171 - (53)5 1 / 3 / 3 1
269PA314120 40% 0.518 PF02719 C1_S170 - (58)7 2 / 3 / 2 5
270PA362027 61% 0.504 PF00488 C5_S170 - (0)2 - / 15 / 10 0
271PA489824 100% 0.311 PF00267 C8_S170 - (0)3 - / - / 2 0
272PA493842 70% 0.605 PF00709 C5_S170 - (53)18 - / 33 / 9 7
273PA141620 40% 0.506 PF01565 70 - (45)? - / - / - 0
274PA124616 37% 0.349 PF00005 C2_S170 - (69)3 - / - / 3 2
275PA355220 61% 0.669 PF01041 C1_S170 - (40)7 - / - / 6 3
276PA210447 39% 0.569 PF00291 C3_S169 - (56)11 - / 4 / 22 6
277PA002545 70% 0.587 PF08501 C7_S169 - (64)10 8 / 8 / 20 5
278PA047020 41% 0.226 PF00593 C3_S169 - (0)9 - / - / 7 0
279PA127420 50% 0.499 PF00881 69 - (41)? - / - / - 0
280PA226120 54% 0.467 PF00294 C1_S169 - (55)2 - / - / 2 1
281PA163130 43% 0.496 PF02771 C1_S169 - (56)7 8 / 10 / 1 3
282PA246620 42% 0.267 PF00593 C4_S169 - (0)4 - / - / 3 0
283PA291120 33% 0.151 PF00593 69 - (0)? - / - / - 0
284PA313210 38% 0.407 PF00561 68 - (2)? - / - / - 0
285PA518119 25% 0.487 PF01568 68 - (0)? - / - / - 0
286PA044732 86% 0.547 PF02771 C1_S168 - (49)6 8 / 7 / - 4
287PA083720 50% 0.480 PF00254 C4_S168 - (0)4 - / 6 / 1 1
288PA221329 100% 0.277 PF00267 C7_S168 - (0)2 - / - / 3 0
289PA049442 60% 0.620 PF02786 C1_S168 - (32)20 - / 18 / 22 16
290PA324819 32% 0.487 PF13302 67 - (0)? - / - / - 0
291PA418024 35% 0.485 PF02776 C6_S167 - (31)4 - / 4 / 1 2
292PA342413 54% 0.433 PF01266 67 - (52)? - / - / - 0
293PA455820 42% 0.631 PF00254 C4_S167 - (0)? - / - / 1 0
294PA05979 71% 0.599 PF00483 C1_S167 - (53)3 - / - / 3 3
295PA308622 100% 0.370 PF12122 C2_S167 - (0)6 - / - / 10 1
296PA46558 25% 0.512 PF00762 C1_S167 - (0)5 - / - / 4 1
297PA356120 40% 0.535 PF00294 C1_S167 - (52)5 - / - / 5 3
298PA389633 50% 0.540 PF02826 C1_S167 - (52)10 10 / 5 / 3 3
299PA051830 100% 0.649 PF00034 C3_S167 - (0)4 19 / 4 / - 2
300PA556725 66% 0.464 PF01926 C3_S166 - (0)6 6 / 11 / 5 3

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