Predicted ligand sequences (modelled structure)
ADAN-name: BZZ1-D1_G2B-ABO-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 |
5.542 |
ΔGbinding |
-0.653 |
TOTAL |
4.889 |
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Backbone Hb |
-0.637 |
Cis_bond |
0.000 |
Sidechain Hb |
-0.638 |
Torsional clash |
0.552 |
Van der Waals |
-3.104 |
Backbone clash |
0.000 |
Electrostatics |
0.476 |
Helix dipole |
0.000 |
Solvation Polar |
3.230 |
Water bridges |
-0.122 |
Solvation Hyd |
-4.201 |
Disulfide |
0.000 |
VdW clashes |
0.172 |
Electrost. Kon |
0.602 |
Entropy sc |
0.459 |
Part.cov.bonds
|
0.000 |
Entropy mc |
2.556 |
ΔGstability |
82.171 |
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Predicted ligand sequences
for model [BZZ1-D1_G2B-ABO-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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