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]
200200_tI_ATRNU9 63% 0.578 0.578 PF00234 C2_S14 - (0)- - / 2 / 1 -
201201_tI_AVIMR8 70% 0.548 0.502 PF00234 C3_S14 - (0)- - / 1 / 3 -
202202_tI_BETVU11 44% 0.513 0.551 PF00234 C2_S11 - (0)- - / - / 1 -
203203_tI_BETVU10 43% 0.415 0.511 PF00234 1 - (0)- - / - / - -
204204_tI_BETVU10 57% 0.596 0.598 PF00234 C1_S13 - (0)- - / - / 3 -
205205_tI_BRACM10 46% 0.609 0.635 PF00234 C2_S12 - (0)- - / - / 1 -
206206_tI_BRAJU10 45% 0.559 0.577 PF00234 0 - (0)- - / - / - -
207207_tI_BRANA10 61% 0.523 0.515 PF00234 C4_S13 - (0)- - / - / 2 -
208208_tI_BRANA10 46% 0.609 0.635 PF00234 C2_S12 - (0)- - / - / 1 -
209209_tI_BRANA8 54% 0.539 0.540 PF00234 C2_S12 - (0)- - / - / 2 -
210210_tI_BRANA8 55% 0.498 0.538 PF00234 C2_S13 - (0)- - / - / 3 -
211211_tI_BRANA8 55% 0.570 0.557 PF00234 C2_S13 - (0)- - / 1 / 2 -
212212_tI_BRANA9 61% 0.568 0.525 PF00234 C5_S13 - (0)- - / - / 2 -
213213_tI_BRANA10 54% 0.552 0.578 PF00234 C3_S12 - (0)- - / - / 2 -
214214_tI_BRANA8 56% 0.514 0.525 PF00234 C2_S13 - (0)- - / 1 / 2 -
215215_tI_BRANA8 54% 0.492 0.546 PF00234 C2_S14 - (0)- - / 1 / 3 -
216216_tI_BRANA8 56% 0.583 0.612 PF00234 C2_S12 - (0)- - / - / 2 -
217217_tI_BRAOL9 53% 0.590 0.561 PF00234 C2_S13 - (0)- - / - / 3 -
218218_tI_BRAOT10 52% 0.512 0.552 PF00234 C2_S13 - (0)- - / - / 3 -
219219_tI_BRAOT8 55% 0.570 0.557 PF00234 C2_S13 - (0)- - / 1 / 2 -
220220_tI_BRAOT8 54% 0.539 0.540 PF00234 C2_S12 - (0)- - / - / 2 -
221221_tI_BRARP8 55% 0.498 0.538 PF00234 C2_S13 - (0)- - / - / 3 -
222222_tI_BRARP8 55% 0.570 0.557 PF00234 C2_S13 - (0)- - / 1 / 2 -
223223_tI_BROIN9 59% 0.574 0.626 PF00234 C2_S12 - (0)- - / - / 2 -
224224_tI_CAPAN10 70% 0.533 0.523 PF00234 C3_S13 - (0)- - / - / 2 -
225225_tI_CAPAN10 70% 0.596 0.553 PF00234 C3_S12 - (0)- - / - / 1 -
226226_tI_CAPAN10 72% 0.626 0.626 PF00234 C3_S13 - (0)- - / - / 3 -
227227_tI_CAPAN9 66% 0.601 0.601 PF00234 C1_S13 - (0)- - / - / 2 -
228228_tI_CAPAN10 69% 0.564 0.582 PF00234 C3_S13 - (0)- - / - / 2 -
229229_tI_CAPAN9 69% 0.544 0.549 PF00234 C3_S13 - (0)- - / - / 2 -
230230_tI_CATRO9 44% 0.548 0.648 PF00234 1 - (0)- - / - / - -
231231_tI_CICAR8 62% 0.496 0.496 PF00234 C2_S14 - (0)- - / 1 / 3 -
232232_tI_CITJA8 68% 0.507 0.509 PF00234 C2_S14 - (0)- - / 1 / 3 -
233233_tI_CITSI10 67% 0.545 0.546 PF00234 C3_S14 - (0)- - / 1 / 3 -
234234_tI_CITSI8 68% 0.477 0.527 PF00234 C3_S14 - (0)- - / 1 / 3 -
235235_tI_CORAV8 59% 0.533 0.533 PF00234 C3_S13 - (0)- - / 1 / 2 -
236236_tI_DAUCA9 60% 0.569 0.564 PF00234 C4_S13 - (0)- - / 1 / 2 -
237237_tI_DAVIN9 64% 0.536 0.541 PF00234 C4_S13 - (0)- - / - / 3 -
238238_tI_EUPLA8 48% 0.616 0.553 PF00234 C2_S12 - (0)- - / - / 1 -
239239_tI_EUPLA8 60% 0.555 0.558 PF00234 C1_S13 - (0)- - / 1 / 2 -
240240_tI_FRAAN8 62% 0.574 0.576 PF00234 C2_S14 - (0)- - / 1 / 3 -
241241_tI_FRAAN9 69% 0.591 0.575 PF00234 C3_S12 - (0)- - / - / 2 -
242242_tI_FRAAN9 67% 0.484 0.533 PF00234 C3_S13 - (0)- - / - / 3 -
243243_tI_FRAAN9 70% 0.646 0.630 PF00234 C4_S12 - (0)- - / - / 2 -
244244_tI_FRAAN10 69% 0.589 0.626 PF00234 C2_S13 - (0)- - / - / 3 -
245245_tI_FRAAN8 69% 0.520 0.519 PF00234 C4_S14 - (0)- - / 1 / 3 -
246246_tI_GERHY9 57% 0.473 0.473 PF00234 C3_S13 - (0)- - / - / 3 -
247247_tI_GINBI8 44% 0.593 0.537 PF00234 C1_S12 - (0)- - / - / 1 -
248248_tI_GOSBA10 65% 0.482 0.498 PF00234 C3_S13 - (0)- - / - / 3 -
249249_tI_GOSBA9 66% 0.487 0.548 PF00234 C2_S13 - (0)- - / - / 3 -
250250_tI_GOSHI9 66% 0.487 0.548 PF00234 C2_S13 - (0)- - / - / 3 -

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