Predicted ligand sequences (modelled structure)
ADAN-name: BBC1_1ZUK3-13.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 |
1.055 |
ΔGbinding |
1.869 |
TOTAL |
2.924 |
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Backbone Hb |
-0.000 |
Cis_bond |
0.000 |
Sidechain Hb |
0.000 |
Torsional clash |
0.538 |
Van der Waals |
-2.969 |
Backbone clash |
0.017 |
Electrostatics |
0.407 |
Helix dipole |
0.000 |
Solvation Polar |
2.651 |
Water bridges |
-0.081 |
Solvation Hyd |
-4.557 |
Disulfide |
0.000 |
VdW clashes |
2.824 |
Electrost. Kon |
0.491 |
Entropy sc |
0.457 |
Part.cov.bonds
|
0.000 |
Entropy mc |
2.108 |
ΔGstability |
10.442 |
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Predicted ligand sequences
for model [BBC1_1ZUK3-13.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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