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]
1001_tI_WHEAT10 100% 0.571 0.623 PF00234 C3_S14 - (0)- - / 1 / 3 -
2002_tI_WHEAT11 96% 0.547 0.548 PF00234 C2_S14 - (0)- - / 1 / 2 -
3003_tI_WHEAT10 86% 0.608 0.619 PF00234 C2_S14 - (0)- - / 1 / 3 -
4004_tI_WHEAT11 71% 0.596 0.600 PF00234 C4_S13 - (0)- - / 1 / 1 -
5005_tI_WHEAT11 70% 0.644 0.644 PF00234 C5_S13 - (0)- - / 1 / 1 -
6006_tI_WHEAT9 69% 0.602 0.626 PF00234 C4_S13 - (0)- - / 1 / 2 -
7007_tI_WHEAT11 71% 0.630 0.612 PF00234 C4_S13 - (0)- - / 1 / 2 -
8008_tI_WHEAT10 73% 0.632 0.633 PF00234 C4_S13 - (0)- - / 1 / 2 -
9009_tI_WHEAT10 71% 0.622 0.626 PF00234 C5_S13 - (0)- - / 1 / 1 -
10010_tI_WHEAT9 70% 0.627 0.611 PF00234 C6_S13 - (0)- - / 1 / 1 -
11011_tI_WHEAT8 70% 0.653 0.644 PF00234 C3_S13 - (0)- - / 1 / 1 -
12012_tI_WHEAT10 70% 0.631 0.632 PF00234 C7_S13 - (0)- - / 1 / 1 -
13013_tI_WHEAT11 70% 0.606 0.571 PF00234 C5_S13 - (0)- - / 1 / 1 -
14014_tI_WHEAT11 70% 0.658 0.658 PF00234 C5_S13 - (0)- - / 1 / 1 -
15015_tI_WHEAT11 70% 0.633 0.631 PF00234 C5_S13 - (0)- - / 1 / 1 -
16016_tI_WHEAT10 66% 0.542 0.552 PF00234 C4_S12 - (0)- - / 1 / - -
17017_tI_WHEAT11 68% 0.531 0.544 PF00234 C5_S13 - (0)- - / 1 / 1 -
18018_tI_WHEAT10 68% 0.613 0.613 PF00234 C5_S13 - (0)- - / 1 / 1 -
19019_tI_WHEAT10 69% 0.630 0.635 PF00234 C6_S13 - (0)- - / 1 / 2 -
20020_tI_WHEAT11 71% 0.623 0.620 PF00234 C4_S13 - (0)- - / 1 / 1 -
21021_tI_WHEAT10 70% 0.647 0.659 PF00234 C5_S13 - (0)- - / 1 / 1 -
22022_tI_WHEAT11 70% 0.629 0.646 PF00234 C4_S13 - (0)- - / 1 / 1 -
23023_tI_WHEAT9 67% 0.590 0.615 PF00234 C3_S13 - (0)- - / 1 / 2 -
24024_tI_WHEAT9 63% 0.607 0.606 PF00234 C4_S13 - (0)- - / 1 / 2 -
25025_tI_WHEAT9 64% 0.611 0.611 PF00234 C4_S13 - (0)- - / 1 / 2 -
26026_tI_WHEAT9 66% 0.601 0.622 PF00234 C3_S13 - (0)- - / 1 / 2 -
27027_tI_WHEAT9 59% 0.550 0.616 PF00234 C2_S13 - (0)- - / - / 3 -
28028_tI_WHEAT9 57% 0.564 0.577 PF00234 C1_S12 - (0)- - / - / 2 -
29029_tI_WHEAT8 58% 0.437 0.536 PF00234 C2_S13 - (0)- - / - / 3 -
30030_tI_WHEAT8 59% 0.581 0.586 PF00234 C1_S13 - (0)- - / - / 3 -
31031_tI_WHEAT10 59% 0.587 0.588 PF00234 C2_S13 - (0)- - / - / 3 -
32032_tI_WHEAT8 62% 0.501 0.539 PF00234 C3_S13 - (0)- - / - / 3 -
33033_tI_WHEAT10 61% 0.519 0.592 PF00234 C2_S13 - (0)- - / - / 3 -
34034_tI_WHEAT8 62% 0.551 0.615 PF00234 C3_S13 - (0)- - / - / 3 -
35035_tI_WHEAT9 58% 0.495 0.576 PF00234 C2_S13 - (0)- - / - / 3 -
36036_tI_WHEAT9 61% 0.514 0.587 PF00234 C3_S13 - (0)- - / - / 3 -
37037_tI_WHEAT8 51% 0.433 0.459 PF00234 C2_S13 - (0)- - / - / 3 -
38038_tI_WHEAT10 49% 0.465 0.466 PF00234 C5_S13 - (0)- - / - / 3 -
39039_tI_WHEAT10 51% 0.443 0.465 PF00234 C4_S13 - (0)- - / - / 3 -
40040_tI_WHEAT8 42% 0.499 0.511 PF00234 1 - (0)- - / - / - -
41041_tI_WHEAT8 40% 0.618 0.602 PF00234 0 - (0)- - / - / - -
42042_tI_WHEAT8 47% 0.477 0.545 PF00234 C3_S12 - (0)- - / - / 1 -
43043_tI_WHEAT8 47% 0.562 0.630 PF00234 C3_S12 - (0)- - / - / 1 -
44044_tI_WHEAT8 46% 0.559 0.559 PF00234 C3_S12 - (0)- - / - / 1 -
45045_tI_WHEAT8 46% 0.536 0.642 PF00234 C2_S12 - (0)- - / - / 1 -
46046_tI_WHEAT9 58% 0.523 0.568 PF00234 C2_S12 - (0)- - / - / 1 -
47047_tI_WHEAT8 58% 0.455 0.570 PF00234 C2_S13 - (0)- - / - / 2 -
48048_tI_WHEAT9 58% 0.466 0.501 PF00234 C2_S12 - (0)- - / - / 1 -
49049_tI_WHEAT8 60% 0.608 0.610 PF00234 C2_S12 - (0)- - / - / 1 -
50050_tI_WHEAT9 65% 0.484 0.489 PF00234 C2_S11 - (0)- - / 1 / - -

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