Predicted ligand sequences (modelled structure)
ADAN-name: BEM1-D1_JO8-LCK-17.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 |
10.228 |
ΔGbinding |
-2.257 |
TOTAL |
7.971 |
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Backbone Hb |
-1.275 |
Cis_bond |
0.000 |
Sidechain Hb |
-1.275 |
Torsional clash |
0.274 |
Van der Waals |
-4.540 |
Backbone clash |
0.021 |
Electrostatics |
-0.258 |
Helix dipole |
0.000 |
Solvation Polar |
5.356 |
Water bridges |
-0.039 |
Solvation Hyd |
-6.391 |
Disulfide |
0.000 |
VdW clashes |
1.269 |
Electrost. Kon |
-0.297 |
Entropy sc |
0.961 |
Part.cov.bonds
|
0.000 |
Entropy mc |
3.959 |
ΔGstability |
53.597 |
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Predicted ligand sequences
for model [BEM1-D1_JO8-LCK-17.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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