Predicted ligand sequences
ADAN-name: 1HCS2.PDB (view again the scoring matrix)
PDB name: [1HCS.PDB]
Wild-type
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 |
11.137 |
ΔGbinding |
-5.280 |
TOTAL |
5.857 |
|
|
Backbone Hb |
-1.630 |
Cis_bond |
0.000 |
Sidechain Hb |
-2.400 |
Torsional clash |
0.870 |
Van der Waals |
-8.070 |
Backbone clash |
0.400 |
Electrostatics |
-3.060 |
Helix dipole |
-0.120 |
Solvation Polar |
11.160 |
Water bridges |
-1.500 |
Solvation Hyd |
-10.200 |
Disulfide |
0.000 |
VdW clashes |
2.210 |
Electrost. Kon |
-2.260 |
Entropy sc |
4.820 |
Part.cov.bonds
|
0.000 |
Entropy mc |
4.900 |
ΔGstability |
118.610 |
|
|
|
|
Predicted ligand sequences
for template [1HCS2.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).
|