Predicted ligand sequences (modelled structure)
ADAN-name: BOI2_JO8-YCS-26.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 |
12.795 |
ΔGbinding |
0.982 |
TOTAL |
13.777 |
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Backbone Hb |
-0.888 |
Cis_bond |
0.000 |
Sidechain Hb |
-0.887 |
Torsional clash |
0.560 |
Van der Waals |
-4.589 |
Backbone clash |
0.086 |
Electrostatics |
-0.615 |
Helix dipole |
0.000 |
Solvation Polar |
6.328 |
Water bridges |
-0.131 |
Solvation Hyd |
-6.162 |
Disulfide |
0.000 |
VdW clashes |
2.949 |
Electrost. Kon |
-0.476 |
Entropy sc |
1.915 |
Part.cov.bonds
|
0.000 |
Entropy mc |
2.977 |
ΔGstability |
71.872 |
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Predicted ligand sequences
for model [BOI2_JO8-YCS-26.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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