Predicted ligand sequences (modelled structure)
ADAN-name: BEM1-D2_1GCQ-5.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 |
8.037 |
ΔGbinding |
-0.632 |
TOTAL |
7.405 |
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Backbone Hb |
-1.525 |
Cis_bond |
0.000 |
Sidechain Hb |
-1.525 |
Torsional clash |
1.464 |
Van der Waals |
-5.203 |
Backbone clash |
0.216 |
Electrostatics |
-0.037 |
Helix dipole |
0.000 |
Solvation Polar |
5.419 |
Water bridges |
0.058 |
Solvation Hyd |
-8.115 |
Disulfide |
0.000 |
VdW clashes |
4.770 |
Electrost. Kon |
-0.097 |
Entropy sc |
1.569 |
Part.cov.bonds
|
0.000 |
Entropy mc |
2.590 |
ΔGstability |
63.601 |
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Predicted ligand sequences
for model [BEM1-D2_1GCQ-5.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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