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]
150649_tIX_PHYPA13 27% 0.586 0.589 PF00234 0 - (0)- - / - / - -
151648_tIX_PHYPA13 36% 0.567 0.582 PF00234 0 - (0)- - / - / - -
152647_tVI_THECC10 35% 0.565 0.565 PF00234 0 - (0)- - / - / - -
153646_tIV_THECC11 45% 0.420 0.410 PF00234 0 - (0)- - / - / - -
154645_tXI_THECC10 30% 0.461 0.436 PF00234 0 - (0)- - / - / - -
155644_tV_THECC12 32% 0.626 0.627 PF00234 0 - (0)- - / - / - -
156643_tV_THECC11 32% 0.521 0.541 PF00234 0 - (0)- - / - / - -
157642_tIII_THECC19 43% 0.598 0.577 PF00234 0 - (0)- - / - / - -
158641_tIX_THECC10 32% 0.525 0.516 PF00234 0 - (0)- - / - / - -
159640_tV_THECC11 32% 0.525 0.593 PF00234 0 - (0)- - / - / - -
160639_tV_THECC9 32% 0.530 0.546 PF00234 0 - (0)- - / - / - -
161638_tVI_THECC11 32% 0.412 0.537 PF00234 0 - (0)- - / - / - -
162637_tXI_THECC10 36% 0.446 0.448 PF00234 0 - (0)- - / - / - -
163636_tII_THECC12 47% 0.712 0.699 PF00234 0 - (0)- - / - / - -
164635_tVI_THECC10 27% 0.521 0.524 PF00234 0 - (0)- - / - / - -
165634_tV_THECC10 33% 0.570 0.571 PF00234 0 - (0)- - / - / - -
166633_tV_THECC11 30% 0.520 0.522 PF00234 0 - (0)- - / - / - -
167632_tI_THECC7 44% 0.440 0.474 PF00234 1 - (0)- - / - / - -
168631_tI_THECC9 44% 0.498 0.532 PF00234 C1_S11 - (0)- - / - / 1 -
169630_tXI_THECC10 35% 0.496 0.464 PF00234 0 - (0)- - / - / - -
170629_tXI_THECC10 33% 0.548 0.549 PF00234 0 - (0)- - / - / - -
171628_tXI_THECC12 36% 0.526 0.528 PF00234 0 - (0)- - / - / - -
172627_tVI_THECC10 30% 0.527 0.576 PF00234 0 - (0)- - / - / - -
173626_tIV_THECC12 50% 0.539 0.660 PF00234 0 - (0)- - / - / - -
174625_tI_THECC8 39% 0.557 0.535 PF00234 0 - (0)- - / - / - -
175624_tI_THECC8 40% 0.543 0.604 PF00234 0 - (0)- - / - / - -
176623_tI_THECC9 39% 0.652 0.647 PF00234 0 - (0)- - / - / - -
177622_tXI_THECC11 30% 0.446 0.590 PF00234 0 - (0)- - / - / - -
178621_tIV_THECC13 47% 0.565 0.614 PF00234 C3_S12 - (0)- - / - / 2 -
179620_tI_THECC8 48% 0.736 0.722 PF00234 C2_S12 - (0)- - / - / 2 -
180619_tI_THECC8 55% 0.636 0.635 PF00234 C2_S13 - (0)- - / 1 / 2 -
181618_tI_THECC8 58% 0.606 0.568 PF00234 C3_S13 - (0)- - / - / 3 -
182617_tI_THECC8 55% 0.469 0.452 PF00234 1 - (0)- - / - / - -
183616_tII_THECC12 41% 0.703 0.703 PF00234 0 - (0)- - / - / - -
184615_tI_THECC8 37% 0.561 0.573 PF00234 0 - (0)- - / - / - -
185614_tXI_THECC12 31% 0.473 0.476 PF00234 0 - (0)- - / - / - -
186613_tVIII_THECC12 29% 0.596 0.689 PF00234 0 - (0)- - / - / - -
187612_tVI_THECC11 29% 0.442 0.438 PF00234 0 - (0)- - / - / - -
188611_tI_THECC8 46% 0.758 0.759 PF00234 0 - (0)- - / - / - -
189610_tI_THECC9 39% 0.347 0.449 PF00234 0 - (0)- - / - / - -
190609_tVI_THECC10 27% 0.410 0.477 PF00234 0 - (0)- - / - / - -
191608_tVI_THECC11 30% 0.444 0.587 PF00234 0 - (0)- - / - / - -
192607_tII_THECC12 40% 0.809 0.809 PF00234 0 - (0)- - / - / - -
193606_tI_THECC8 32% 0.388 0.420 PF00234 0 - (0)- - / - / - -
194605_tXI_THECC9 30% 0.377 0.494 PF00234 0 - (0)- - / - / - -
195604_tXI_THECC8 34% 0.560 0.568 PF00234 0 - (0)- - / - / - -
196603_tI_THECC10 43% 0.586 0.663 PF00234 0 - (0)- - / - / - -
197602_tIV_THECC13 53% 0.490 0.435 PF00234 C3_S12 - (0)- - / 1 / 1 -
198601_tI_WHEAT8 40% 0.522 0.606 PF00234 0 - (0)- - / - / - -
199599_tII_ARATH11 33% 0.469 0.492 PF00234 0 - (0)- - / - / - -
200598_tI_ARATH7 52% 0.432 0.402 PF00234 C2_S12 - (0)- - / - / 1 -

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