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 -
201520_tI_CHIPR8 61% 0.665 0.650 PF00234 C2_S12 - (0)- - / - / 2 -
202356_tI_RICCO8 61% 0.558 0.572 PF00234 C3_S13 - (0)- - / - / 3 -
203033_tI_WHEAT10 61% 0.519 0.592 PF00234 C2_S13 - (0)- - / - / 3 -
204036_tI_WHEAT9 61% 0.514 0.587 PF00234 C3_S13 - (0)- - / - / 3 -
205400_tI_VITVI8 61% 0.696 0.657 PF00234 C3_S12 - (0)- - / - / 2 -
206392_tI_THEHA10 61% 0.521 0.521 PF00234 C5_S12 - (0)- - / - / 2 -
207277_tI_LENCU8 61% 0.559 0.559 PF00234 C3_S14 - (0)- - / 1 / 3 -
208344_tI_RETRA8 61% 0.543 0.556 PF00234 C4_S14 - (0)- - / 1 / 3 -
209207_tI_BRANA10 61% 0.523 0.515 PF00234 C4_S13 - (0)- - / - / 2 -
210407_tI_VITVI8 61% 0.629 0.669 PF00234 C3_S13 - (0)- - / - / 3 -
211773_tI_MEDTR9 61% 0.653 0.622 PF00234 C2_S14 - (0)- - / 1 / 3 -
212295_tI_TOBAC8 60% 0.539 0.539 PF00234 C3_S14 - (0)- - / 1 / 3 -
213065_tI_ORYSA10 60% 0.590 0.647 PF00234 C4_S12 - (0)- - / - / 2 -
214399_tI_VITSX10 60% 0.624 0.608 PF00234 C2_S12 - (0)- - / - / 2 -
215408_tI_VITVI9 60% 0.535 0.536 PF00234 C3_S13 - (0)- - / - / 3 -
216293_tI_NICGL8 60% 0.487 0.461 PF00234 C2_S14 - (0)- - / 1 / 3 -
217686_tII_BRADI12 60% 0.532 0.626 PF00234 C2_S11 - (0)- - / 1 / - -
218330_tI_POPTR8 60% 0.599 0.618 PF00234 C4_S12 - (0)- - / - / 2 -
219239_tI_EUPLA8 60% 0.555 0.558 PF00234 C1_S13 - (0)- - / 1 / 2 -
220257_tI_GYMCO9 60% 0.588 0.614 PF00234 C2_S13 - (0)- - / - / 3 -
221049_tI_WHEAT8 60% 0.608 0.610 PF00234 C2_S12 - (0)- - / - / 1 -
222754_tI_VITVI10 60% 0.606 0.619 PF00234 C2_S12 - (0)- - / - / 2 -
223070_tI_ORYSA10 60% 0.473 0.473 PF00234 C1_S15 - (0)- - / - / 5 -
224290_tI_NICGL9 60% 0.458 0.478 PF00234 C2_S14 - (0)- - / 1 / 3 -
225275_tI_LENCU8 60% 0.518 0.521 PF00234 C3_S14 - (0)- - / 1 / 3 -
226527_tI_WHEAT10 60% 0.573 0.573 PF00234 C5_S12 - (0)- - / - / 1 -
227325_tI_POPCN8 60% 0.523 0.508 PF00234 C1_S15 - (0)- - / - / 5 -
228110_tII_WHEAT11 60% 0.591 0.591 PF00234 C2_S11 - (0)- - / - / 1 -
229278_tI_LENCU9 60% 0.508 0.528 PF00234 C3_S14 - (0)- - / 1 / 3 -
230236_tI_DAUCA9 60% 0.569 0.564 PF00234 C4_S13 - (0)- - / 1 / 2 -
231223_tI_BROIN9 59% 0.574 0.626 PF00234 C2_S12 - (0)- - / - / 2 -
232524_tI_ORYSJ9 59% 0.630 0.687 PF00234 C3_S12 - (0)- - / - / 2 -
233027_tI_WHEAT9 59% 0.550 0.616 PF00234 C2_S13 - (0)- - / - / 3 -
234367_tI_SECCE10 59% 0.554 0.533 PF00234 C4_S13 - (0)- - / 1 / 1 -
235273_tI_LACSA9 59% 0.579 0.546 PF00234 C2_S12 - (0)- - / 1 / 1 -
236289_tI_NICAT8 59% 0.533 0.544 PF00234 C2_S14 - (0)- - / 1 / 3 -
237031_tI_WHEAT10 59% 0.587 0.588 PF00234 C2_S13 - (0)- - / - / 3 -
238276_tI_LENCU10 59% 0.655 0.619 PF00234 C2_S14 - (0)- - / 1 / 3 -
239235_tI_CORAV8 59% 0.533 0.533 PF00234 C3_S13 - (0)- - / 1 / 2 -
240291_tI_NICGL8 59% 0.589 0.591 PF00234 C2_S14 - (0)- - / 1 / 3 -
241030_tI_WHEAT8 59% 0.581 0.586 PF00234 C1_S13 - (0)- - / - / 3 -
242279_tI_LENCU10 59% 0.533 0.569 PF00234 C2_S14 - (0)- - / 1 / 3 -
243420_tI_MAIZE9 59% 0.489 0.489 PF00234 C3_S12 - (0)- - / - / 2 -
244358_tI_RICCO8 58% 0.675 0.630 PF00234 C4_S13 - (0)- - / - / 3 -
245107_tII_WHEAT12 58% 0.461 0.459 PF00234 C2_S11 - (0)- - / 1 / - -
246271_tI_HORVD8 58% 0.569 0.596 PF00234 C2_S12 - (0)- - / - / 2 -
247618_tI_THECC8 58% 0.606 0.568 PF00234 C3_S13 - (0)- - / - / 3 -
248398_tI_VITSX8 58% 0.589 0.581 PF00234 C2_S12 - (0)- - / - / 2 -
249047_tI_WHEAT8 58% 0.455 0.570 PF00234 C2_S13 - (0)- - / - / 2 -
250029_tI_WHEAT8 58% 0.437 0.536 PF00234 C2_S13 - (0)- - / - / 3 -

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