Predicted ligand sequences (modelled structure)
ADAN-name: BEM1-D1_JO8-QCF-7.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 |
7.115 |
ΔGbinding |
-2.664 |
TOTAL |
4.451 |
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Backbone Hb |
-0.638 |
Cis_bond |
0.000 |
Sidechain Hb |
-0.637 |
Torsional clash |
0.343 |
Van der Waals |
-3.404 |
Backbone clash |
0.003 |
Electrostatics |
0.110 |
Helix dipole |
0.000 |
Solvation Polar |
3.828 |
Water bridges |
-0.036 |
Solvation Hyd |
-4.745 |
Disulfide |
0.000 |
VdW clashes |
0.499 |
Electrost. Kon |
0.105 |
Entropy sc |
0.429 |
Part.cov.bonds
|
0.000 |
Entropy mc |
1.481 |
ΔGstability |
51.936 |
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Predicted ligand sequences
for model [BEM1-D1_JO8-QCF-7.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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