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]
100296_tI_TOBAC10 70% 0.594 0.618 PF00234 C3_S13 - (0)- - / - / 3 -
101243_tI_FRAAN9 70% 0.646 0.630 PF00234 C4_S12 - (0)- - / - / 2 -
102022_tI_WHEAT11 70% 0.629 0.646 PF00234 C4_S13 - (0)- - / 1 / 1 -
103010_tI_WHEAT9 70% 0.627 0.611 PF00234 C6_S13 - (0)- - / 1 / 1 -
104224_tI_CAPAN10 70% 0.533 0.523 PF00234 C3_S13 - (0)- - / - / 2 -
105013_tI_WHEAT11 70% 0.606 0.571 PF00234 C5_S13 - (0)- - / 1 / 1 -
106014_tI_WHEAT11 70% 0.658 0.658 PF00234 C5_S13 - (0)- - / 1 / 1 -
107015_tI_WHEAT11 70% 0.633 0.631 PF00234 C5_S13 - (0)- - / 1 / 1 -
108684_tI_BRADI8 70% 0.542 0.563 PF00234 C2_S14 - (0)- - / 2 / 2 -
109021_tI_WHEAT10 70% 0.647 0.659 PF00234 C5_S13 - (0)- - / 1 / 1 -
110508_tI_WHEAT11 70% 0.587 0.589 PF00234 C4_S13 - (0)- - / 1 / 1 -
111225_tI_CAPAN10 70% 0.596 0.553 PF00234 C3_S12 - (0)- - / - / 1 -
112382_tI_SOLTU9 70% 0.496 0.496 PF00234 C3_S13 - (0)- - / - / 2 -
113012_tI_WHEAT10 70% 0.631 0.632 PF00234 C7_S13 - (0)- - / 1 / 1 -
114244_tI_FRAAN10 69% 0.589 0.626 PF00234 C2_S13 - (0)- - / - / 3 -
115364_tI_RUBID9 69% 0.628 0.628 PF00234 C4_S14 - (0)- - / 1 / 3 -
116228_tI_CAPAN10 69% 0.564 0.582 PF00234 C3_S13 - (0)- - / - / 2 -
117006_tI_WHEAT9 69% 0.602 0.626 PF00234 C4_S13 - (0)- - / 1 / 2 -
118229_tI_CAPAN9 69% 0.544 0.549 PF00234 C3_S13 - (0)- - / - / 2 -
119669_tII_BRADI12 69% 0.587 0.599 PF00234 C4_S11 - (0)- - / - / 1 -
120245_tI_FRAAN8 69% 0.520 0.519 PF00234 C4_S14 - (0)- - / 1 / 3 -
121019_tI_WHEAT10 69% 0.630 0.635 PF00234 C6_S13 - (0)- - / 1 / 2 -
122241_tI_FRAAN9 69% 0.591 0.575 PF00234 C3_S12 - (0)- - / - / 2 -
123017_tI_WHEAT11 68% 0.531 0.544 PF00234 C5_S13 - (0)- - / 1 / 1 -
124234_tI_CITSI8 68% 0.477 0.527 PF00234 C3_S14 - (0)- - / 1 / 3 -
125198_tI_ARAHY9 68% 0.654 0.654 PF00234 C2_S12 - (0)- - / - / 2 -
126232_tI_CITJA8 68% 0.507 0.509 PF00234 C2_S14 - (0)- - / 1 / 3 -
127451_tII_MAIZE12 68% 0.688 0.689 PF00234 C1_S11 - (0)- - / 1 / - -
128018_tI_WHEAT10 68% 0.613 0.613 PF00234 C5_S13 - (0)- - / 1 / 1 -
129242_tI_FRAAN9 67% 0.484 0.533 PF00234 C3_S13 - (0)- - / - / 3 -
130023_tI_WHEAT9 67% 0.590 0.615 PF00234 C3_S13 - (0)- - / 1 / 2 -
131233_tI_CITSI10 67% 0.545 0.546 PF00234 C3_S14 - (0)- - / 1 / 3 -
132108_tII_WHEAT12 67% 0.552 0.631 PF14368 C6_S11 - (0)- - / 1 / - -
133269_tI_HORVU10 67% 0.610 0.610 PF00234 C5_S13 - (0)- - / 1 / 1 -
134266_tI_HORVU8 66% 0.547 0.532 PF00234 C5_S13 - (0)- - / 1 / 1 -
135523_tI_GOSHI9 66% 0.520 0.533 PF00234 C2_S13 - (0)- - / - / 3 -
136395_tI_VIGRA9 66% 0.631 0.635 PF00234 C3_S12 - (0)- - / - / 2 -
137253_tI_GOSHI9 66% 0.616 0.604 PF00234 C1_S13 - (0)- - / - / 3 -
138250_tI_GOSHI9 66% 0.487 0.548 PF00234 C2_S13 - (0)- - / - / 3 -
139525_tI_WHEAT9 66% 0.564 0.565 PF00234 C4_S13 - (0)- - / 1 / 2 -
140371_tI_SESIN8 66% 0.499 0.485 PF00234 C1_S13 - (0)- - / - / 3 -
141026_tI_WHEAT9 66% 0.601 0.622 PF00234 C3_S13 - (0)- - / 1 / 2 -
142249_tI_GOSBA9 66% 0.487 0.548 PF00234 C2_S13 - (0)- - / - / 3 -
143227_tI_CAPAN9 66% 0.601 0.601 PF00234 C1_S13 - (0)- - / - / 2 -
144051_tI_WHEAT9 66% 0.460 0.457 PF00234 C2_S11 - (0)- - / - / 1 -
145259_tI_HELAN8 66% 0.498 0.573 PF00234 C2_S14 - (0)- - / 1 / 3 -
146016_tI_WHEAT10 66% 0.542 0.552 PF00234 C4_S12 - (0)- - / 1 / - -
147366_tI_SALMI8 66% 0.462 0.461 PF00234 C4_S13 - (0)- - / - / 3 -
148274_tI_LACSA9 66% 0.592 0.637 PF00234 C4_S13 - (0)- - / - / 3 -
149518_tI_TAMHI11 65% 0.603 0.645 PF00234 C5_S13 - (0)- - / - / 3 -
150248_tI_GOSBA10 65% 0.482 0.498 PF00234 C3_S13 - (0)- - / - / 3 -

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