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]
100225_tI_CAPAN10 70% 0.596 0.553 PF00234 C3_S12 - (0)- - / - / 1 -
101508_tI_WHEAT11 70% 0.587 0.589 PF00234 C4_S13 - (0)- - / 1 / 1 -
102296_tI_TOBAC10 70% 0.594 0.618 PF00234 C3_S13 - (0)- - / - / 3 -
103022_tI_WHEAT11 70% 0.629 0.646 PF00234 C4_S13 - (0)- - / 1 / 1 -
104013_tI_WHEAT11 70% 0.606 0.571 PF00234 C5_S13 - (0)- - / 1 / 1 -
105243_tI_FRAAN9 70% 0.646 0.630 PF00234 C4_S12 - (0)- - / - / 2 -
106224_tI_CAPAN10 70% 0.533 0.523 PF00234 C3_S13 - (0)- - / - / 2 -
107005_tI_WHEAT11 70% 0.644 0.644 PF00234 C5_S13 - (0)- - / 1 / 1 -
108382_tI_SOLTU9 70% 0.496 0.496 PF00234 C3_S13 - (0)- - / - / 2 -
109201_tI_AVIMR8 70% 0.548 0.502 PF00234 C3_S14 - (0)- - / 1 / 3 -
110021_tI_WHEAT10 70% 0.647 0.659 PF00234 C5_S13 - (0)- - / 1 / 1 -
111011_tI_WHEAT8 70% 0.653 0.644 PF00234 C3_S13 - (0)- - / 1 / 1 -
112015_tI_WHEAT11 70% 0.633 0.631 PF00234 C5_S13 - (0)- - / 1 / 1 -
113010_tI_WHEAT9 70% 0.627 0.611 PF00234 C6_S13 - (0)- - / 1 / 1 -
114229_tI_CAPAN9 69% 0.544 0.549 PF00234 C3_S13 - (0)- - / - / 2 -
115245_tI_FRAAN8 69% 0.520 0.519 PF00234 C4_S14 - (0)- - / 1 / 3 -
116244_tI_FRAAN10 69% 0.589 0.626 PF00234 C2_S13 - (0)- - / - / 3 -
117364_tI_RUBID9 69% 0.628 0.628 PF00234 C4_S14 - (0)- - / 1 / 3 -
118006_tI_WHEAT9 69% 0.602 0.626 PF00234 C4_S13 - (0)- - / 1 / 2 -
119241_tI_FRAAN9 69% 0.591 0.575 PF00234 C3_S12 - (0)- - / - / 2 -
120019_tI_WHEAT10 69% 0.630 0.635 PF00234 C6_S13 - (0)- - / 1 / 2 -
121669_tII_BRADI12 69% 0.587 0.599 PF00234 C4_S11 - (0)- - / - / 1 -
122228_tI_CAPAN10 69% 0.564 0.582 PF00234 C3_S13 - (0)- - / - / 2 -
123198_tI_ARAHY9 68% 0.654 0.654 PF00234 C2_S12 - (0)- - / - / 2 -
124232_tI_CITJA8 68% 0.507 0.509 PF00234 C2_S14 - (0)- - / 1 / 3 -
125018_tI_WHEAT10 68% 0.613 0.613 PF00234 C5_S13 - (0)- - / 1 / 1 -
126451_tII_MAIZE12 68% 0.688 0.689 PF00234 C1_S11 - (0)- - / 1 / - -
127234_tI_CITSI8 68% 0.477 0.527 PF00234 C3_S14 - (0)- - / 1 / 3 -
128017_tI_WHEAT11 68% 0.531 0.544 PF00234 C5_S13 - (0)- - / 1 / 1 -
129269_tI_HORVU10 67% 0.610 0.610 PF00234 C5_S13 - (0)- - / 1 / 1 -
130108_tII_WHEAT12 67% 0.552 0.631 PF14368 C6_S11 - (0)- - / 1 / - -
131023_tI_WHEAT9 67% 0.590 0.615 PF00234 C3_S13 - (0)- - / 1 / 2 -
132242_tI_FRAAN9 67% 0.484 0.533 PF00234 C3_S13 - (0)- - / - / 3 -
133233_tI_CITSI10 67% 0.545 0.546 PF00234 C3_S14 - (0)- - / 1 / 3 -
134523_tI_GOSHI9 66% 0.520 0.533 PF00234 C2_S13 - (0)- - / - / 3 -
135395_tI_VIGRA9 66% 0.631 0.635 PF00234 C3_S12 - (0)- - / - / 2 -
136366_tI_SALMI8 66% 0.462 0.461 PF00234 C4_S13 - (0)- - / - / 3 -
137253_tI_GOSHI9 66% 0.616 0.604 PF00234 C1_S13 - (0)- - / - / 3 -
138259_tI_HELAN8 66% 0.498 0.573 PF00234 C2_S14 - (0)- - / 1 / 3 -
139051_tI_WHEAT9 66% 0.460 0.457 PF00234 C2_S11 - (0)- - / - / 1 -
140525_tI_WHEAT9 66% 0.564 0.565 PF00234 C4_S13 - (0)- - / 1 / 2 -
141371_tI_SESIN8 66% 0.499 0.485 PF00234 C1_S13 - (0)- - / - / 3 -
142026_tI_WHEAT9 66% 0.601 0.622 PF00234 C3_S13 - (0)- - / 1 / 2 -
143266_tI_HORVU8 66% 0.547 0.532 PF00234 C5_S13 - (0)- - / 1 / 1 -
144274_tI_LACSA9 66% 0.592 0.637 PF00234 C4_S13 - (0)- - / - / 3 -
145250_tI_GOSHI9 66% 0.487 0.548 PF00234 C2_S13 - (0)- - / - / 3 -
146249_tI_GOSBA9 66% 0.487 0.548 PF00234 C2_S13 - (0)- - / - / 3 -
147016_tI_WHEAT10 66% 0.542 0.552 PF00234 C4_S12 - (0)- - / 1 / - -
148227_tI_CAPAN9 66% 0.601 0.601 PF00234 C1_S13 - (0)- - / - / 2 -
149248_tI_GOSBA10 65% 0.482 0.498 PF00234 C3_S13 - (0)- - / - / 3 -
150281_tI_LEOAR9 65% 0.533 0.505 PF00234 C3_S14 - (0)- - / 1 / 3 -

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