Predicted ligand sequences (modelled structure)
ADAN-name: BEM1-D2_1SEM-19.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 |
7.398 |
ΔGbinding |
-0.803 |
TOTAL |
6.595 |
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Backbone Hb |
-0.637 |
Cis_bond |
0.000 |
Sidechain Hb |
-0.638 |
Torsional clash |
0.468 |
Van der Waals |
-4.931 |
Backbone clash |
0.070 |
Electrostatics |
0.091 |
Helix dipole |
0.000 |
Solvation Polar |
5.064 |
Water bridges |
-0.003 |
Solvation Hyd |
-7.475 |
Disulfide |
0.000 |
VdW clashes |
2.430 |
Electrost. Kon |
-0.006 |
Entropy sc |
0.943 |
Part.cov.bonds
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0.000 |
Entropy mc |
3.890 |
ΔGstability |
55.878 |
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Predicted ligand sequences
for model [BEM1-D2_1SEM-19.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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