Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
LTP (May 2014)

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)		 Modeller
(QMean Score)		 Classification code

 Binding Site (All) 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]
 [Best Score]
 Main Code
 [Name]
 [Number]
 [Number]
 Distribution of CDocking pKd
 [Number]
200406_tI_VITVI8 61% 0.570 0.571 PF00234 C3_S12 - (0)- - / - / 2 -
201033_tI_WHEAT10 61% 0.519 0.592 PF00234 C2_S13 - (0)- - / - / 3 -
202392_tI_THEHA10 61% 0.521 0.521 PF00234 C5_S12 - (0)- - / - / 2 -
203207_tI_BRANA10 61% 0.523 0.515 PF00234 C4_S13 - (0)- - / - / 2 -
204773_tI_MEDTR9 61% 0.653 0.622 PF00234 C2_S14 - (0)- - / 1 / 3 -
205407_tI_VITVI8 61% 0.629 0.669 PF00234 C3_S13 - (0)- - / - / 3 -
206400_tI_VITVI8 61% 0.696 0.657 PF00234 C3_S12 - (0)- - / - / 2 -
207520_tI_CHIPR8 61% 0.665 0.650 PF00234 C2_S12 - (0)- - / - / 2 -
208356_tI_RICCO8 61% 0.558 0.572 PF00234 C3_S13 - (0)- - / - / 3 -
209344_tI_RETRA8 61% 0.543 0.556 PF00234 C4_S14 - (0)- - / 1 / 3 -
210292_tI_NICGL8 61% 0.538 0.527 PF00234 C2_S14 - (0)- - / 1 / 3 -
211036_tI_WHEAT9 61% 0.514 0.587 PF00234 C3_S13 - (0)- - / - / 3 -
212049_tI_WHEAT8 60% 0.608 0.610 PF00234 C2_S12 - (0)- - / - / 1 -
213278_tI_LENCU9 60% 0.508 0.528 PF00234 C3_S14 - (0)- - / 1 / 3 -
214290_tI_NICGL9 60% 0.458 0.478 PF00234 C2_S14 - (0)- - / 1 / 3 -
215293_tI_NICGL8 60% 0.487 0.461 PF00234 C2_S14 - (0)- - / 1 / 3 -
216754_tI_VITVI10 60% 0.606 0.619 PF00234 C2_S12 - (0)- - / - / 2 -
217065_tI_ORYSA10 60% 0.590 0.647 PF00234 C4_S12 - (0)- - / - / 2 -
218408_tI_VITVI9 60% 0.535 0.536 PF00234 C3_S13 - (0)- - / - / 3 -
219325_tI_POPCN8 60% 0.523 0.508 PF00234 C1_S15 - (0)- - / - / 5 -
220275_tI_LENCU8 60% 0.518 0.521 PF00234 C3_S14 - (0)- - / 1 / 3 -
221686_tII_BRADI12 60% 0.532 0.626 PF00234 C2_S11 - (0)- - / 1 / - -
222110_tII_WHEAT11 60% 0.591 0.591 PF00234 C2_S11 - (0)- - / - / 1 -
223070_tI_ORYSA10 60% 0.473 0.473 PF00234 C1_S15 - (0)- - / - / 5 -
224236_tI_DAUCA9 60% 0.569 0.564 PF00234 C4_S13 - (0)- - / 1 / 2 -
225239_tI_EUPLA8 60% 0.555 0.558 PF00234 C1_S13 - (0)- - / 1 / 2 -
226330_tI_POPTR8 60% 0.599 0.618 PF00234 C4_S12 - (0)- - / - / 2 -
227295_tI_TOBAC8 60% 0.539 0.539 PF00234 C3_S14 - (0)- - / 1 / 3 -
228527_tI_WHEAT10 60% 0.573 0.573 PF00234 C5_S12 - (0)- - / - / 1 -
229257_tI_GYMCO9 60% 0.588 0.614 PF00234 C2_S13 - (0)- - / - / 3 -
230399_tI_VITSX10 60% 0.624 0.608 PF00234 C2_S12 - (0)- - / - / 2 -
231524_tI_ORYSJ9 59% 0.630 0.687 PF00234 C3_S12 - (0)- - / - / 2 -
232276_tI_LENCU10 59% 0.655 0.619 PF00234 C2_S14 - (0)- - / 1 / 3 -
233289_tI_NICAT8 59% 0.533 0.544 PF00234 C2_S14 - (0)- - / 1 / 3 -
234031_tI_WHEAT10 59% 0.587 0.588 PF00234 C2_S13 - (0)- - / - / 3 -
235235_tI_CORAV8 59% 0.533 0.533 PF00234 C3_S13 - (0)- - / 1 / 2 -
236420_tI_MAIZE9 59% 0.489 0.489 PF00234 C3_S12 - (0)- - / - / 2 -
237223_tI_BROIN9 59% 0.574 0.626 PF00234 C2_S12 - (0)- - / - / 2 -
238279_tI_LENCU10 59% 0.533 0.569 PF00234 C2_S14 - (0)- - / 1 / 3 -
239291_tI_NICGL8 59% 0.589 0.591 PF00234 C2_S14 - (0)- - / 1 / 3 -
240367_tI_SECCE10 59% 0.554 0.533 PF00234 C4_S13 - (0)- - / 1 / 1 -
241027_tI_WHEAT9 59% 0.550 0.616 PF00234 C2_S13 - (0)- - / - / 3 -
242030_tI_WHEAT8 59% 0.581 0.586 PF00234 C1_S13 - (0)- - / - / 3 -
243273_tI_LACSA9 59% 0.579 0.546 PF00234 C2_S12 - (0)- - / 1 / 1 -
244048_tI_WHEAT9 58% 0.466 0.501 PF00234 C2_S12 - (0)- - / - / 1 -
245047_tI_WHEAT8 58% 0.455 0.570 PF00234 C2_S13 - (0)- - / - / 2 -
246029_tI_WHEAT8 58% 0.437 0.536 PF00234 C2_S13 - (0)- - / - / 3 -
247267_tI_HORVU8 58% 0.583 0.601 PF00234 C3_S12 - (0)- - / 1 / 1 -
248519_tI_TAMHI10 58% 0.397 0.493 PF00234 C4_S14 - (0)- - / 1 / 3 -
249035_tI_WHEAT9 58% 0.495 0.576 PF00234 C2_S13 - (0)- - / - / 3 -
250358_tI_RICCO8 58% 0.675 0.630 PF00234 C4_S13 - (0)- - / - / 3 -

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