Predicted ligand sequences (modelled structure)
ADAN-name: BZZ1-D1_2A28-20.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 |
3.624 |
ΔGbinding |
-1.733 |
TOTAL |
1.891 |
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Backbone Hb |
-1.275 |
Cis_bond |
0.000 |
Sidechain Hb |
-1.275 |
Torsional clash |
0.068 |
Van der Waals |
-4.466 |
Backbone clash |
0.185 |
Electrostatics |
0.510 |
Helix dipole |
0.000 |
Solvation Polar |
4.993 |
Water bridges |
-0.111 |
Solvation Hyd |
-6.127 |
Disulfide |
0.000 |
VdW clashes |
1.893 |
Electrost. Kon |
0.486 |
Entropy sc |
0.809 |
Part.cov.bonds
|
0.000 |
Entropy mc |
2.762 |
ΔGstability |
82.655 |
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Predicted ligand sequences
for model [BZZ1-D1_2A28-20.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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