Predicted ligand sequences (modelled structure)
ADAN-name: BZZ1-D1_1ZUU-13.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 |
7.082 |
ΔGbinding |
4.938 |
TOTAL |
12.020 |
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Backbone Hb |
-0.638 |
Cis_bond |
0.000 |
Sidechain Hb |
-0.637 |
Torsional clash |
0.593 |
Van der Waals |
-3.713 |
Backbone clash |
2.850 |
Electrostatics |
0.373 |
Helix dipole |
0.000 |
Solvation Polar |
4.125 |
Water bridges |
0.008 |
Solvation Hyd |
-4.752 |
Disulfide |
0.000 |
VdW clashes |
6.765 |
Electrost. Kon |
0.461 |
Entropy sc |
0.636 |
Part.cov.bonds
|
0.000 |
Entropy mc |
1.717 |
ΔGstability |
31.111 |
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Predicted ligand sequences
for model [BZZ1-D1_1ZUU-13.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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