Predicted ligand sequences (modelled structure)
ADAN-name: BZZ1-D1_2A28-7.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 |
2.924 |
ΔGbinding |
-1.553 |
TOTAL |
1.371 |
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Backbone Hb |
-1.275 |
Cis_bond |
0.000 |
Sidechain Hb |
-1.275 |
Torsional clash |
0.264 |
Van der Waals |
-3.190 |
Backbone clash |
3.180 |
Electrostatics |
0.177 |
Helix dipole |
0.000 |
Solvation Polar |
4.146 |
Water bridges |
-0.029 |
Solvation Hyd |
-3.966 |
Disulfide |
0.000 |
VdW clashes |
0.850 |
Electrost. Kon |
0.165 |
Entropy sc |
0.641 |
Part.cov.bonds
|
0.000 |
Entropy mc |
1.938 |
ΔGstability |
79.795 |
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Predicted ligand sequences
for model [BZZ1-D1_2A28-7.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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