Predicted ligand sequences (modelled structure)
ADAN-name: BEM1-D2_1SEM-1.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 |
8.105 |
ΔGbinding |
-2.194 |
TOTAL |
5.911 |
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Backbone Hb |
0.000 |
Cis_bond |
0.000 |
Sidechain Hb |
0.000 |
Torsional clash |
1.899 |
Van der Waals |
-3.733 |
Backbone clash |
0.035 |
Electrostatics |
-0.104 |
Helix dipole |
0.000 |
Solvation Polar |
2.832 |
Water bridges |
-0.001 |
Solvation Hyd |
-6.111 |
Disulfide |
0.000 |
VdW clashes |
0.246 |
Electrost. Kon |
-0.155 |
Entropy sc |
0.675 |
Part.cov.bonds
|
0.000 |
Entropy mc |
2.257 |
ΔGstability |
46.232 |
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Predicted ligand sequences
for model [BEM1-D2_1SEM-1.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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