Predicted ligand sequences (modelled structure)
ADAN-name: BOI2_1YCS-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 |
6.785 |
ΔGbinding |
-1.100 |
TOTAL |
5.685 |
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Backbone Hb |
0.000 |
Cis_bond |
0.000 |
Sidechain Hb |
0.000 |
Torsional clash |
0.692 |
Van der Waals |
-4.074 |
Backbone clash |
0.122 |
Electrostatics |
-0.361 |
Helix dipole |
0.000 |
Solvation Polar |
4.663 |
Water bridges |
-0.006 |
Solvation Hyd |
-6.167 |
Disulfide |
0.000 |
VdW clashes |
1.567 |
Electrost. Kon |
-0.352 |
Entropy sc |
1.031 |
Part.cov.bonds
|
0.000 |
Entropy mc |
1.909 |
ΔGstability |
61.444 |
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Predicted ligand sequences
for model [BOI2_1YCS-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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