|
This service performs the binding
predictions of a peptide on the ligand-domain complex structures present in
ADAN database. The ligand in the complex is mutated to poly-Ala,
and scanned position by position with FoldX. Each position is mutated to the
20 natural amino acids, while the other positions remain as Ala. A
normalized matrix is obtained, that evaluates the ability of a residue to
fit in a position of the ligand. Then the query sequence is sliced and
evaluated as the sum of individual positions. The fragments are ranked and
the 30 best are selected and presented. The 10 best fragments are introduced
in FoldX to build models with all ligand positions at the same time. |