Predicted ligand sequences (modelled structure)
ADAN-name: BEM1-D2_1SEM-14.PDB (view again the scoring matrix)
Starting poly-Ala
ligand sequence and binding properties
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Grey: Restrictive positions;
only 1 or 2 residues predicted after FoldX analysis
Yellow: Tolerant positions;
more than 10 residues predicted after FoldX analysis
WT ligand |
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Intraclash |
3.800 |
ΔGbinding |
-2.396 |
TOTAL |
1.404 |
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Backbone Hb |
-0.637 |
Cis_bond |
0.000 |
Sidechain Hb |
-0.638 |
Torsional clash |
0.181 |
Van der Waals |
-4.010 |
Backbone clash |
0.209 |
Electrostatics |
0.038 |
Helix dipole |
0.000 |
Solvation Polar |
4.660 |
Water bridges |
-0.008 |
Solvation Hyd |
-5.990 |
Disulfide |
0.000 |
VdW clashes |
0.037 |
Electrost. Kon |
0.003 |
Entropy sc |
0.671 |
Part.cov.bonds
|
0.000 |
Entropy mc |
3.297 |
ΔGstability |
47.236 |
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Predicted ligand sequences
for model [BEM1-D2_1SEM-14.PDB]
(from FoldX scoring matrices).
If your favourite sequence is not included in this
list, please visit the ADAN section
Prediction
from a query sequence).
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