Predicted ligand sequences (modelled structure)
ADAN-name: BUD14_1SEM-12.PDB (view again the scoring matrix)
Starting poly-Ala
ligand sequence and binding properties
(Help)
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 |
|
|
(Help) |
|
Intraclash |
0.586 |
ΔGbinding |
-1.686 |
TOTAL |
-1.100 |
|
|
Backbone Hb |
0.000 |
Cis_bond |
0.000 |
Sidechain Hb |
-0.000 |
Torsional clash |
0.405 |
Van der Waals |
-1.987 |
Backbone clash |
-0.000 |
Electrostatics |
-0.125 |
Helix dipole |
0.000 |
Solvation Polar |
1.925 |
Water bridges |
-0.065 |
Solvation Hyd |
-2.943 |
Disulfide |
0.000 |
VdW clashes |
0.003 |
Electrost. Kon |
-0.130 |
Entropy sc |
0.118 |
Part.cov.bonds
|
0.000 |
Entropy mc |
1.113 |
ΔGstability |
45.714 |
|
|
|
|
Predicted ligand sequences
for model [BUD14_1SEM-12.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).
|