ddG.profile: Contribution of a given position to changes in stability
Description
Represents the sensitivity of a given position to changes in stability of a protein (DDG).
Usage
ddG.profile(prot, ch, pos, pH = 7, Te = 25)
Arguments
prot
either the 4-letter identifier of a PDB structure, or the amino acid sequence (one letter amino acid code) of a protein.
ch
a letter identifying the chain of interest.
pos
the position, in the primary structure, of the residue to be mutated.
pH
a numeric value between 0 and 14.
Te
a numeric value indicating the temperature in degrees Celsius.
Value
The function returns a dataframe with the DDG values (kcal/mol) for each alternative amino acid, and a barplot grouping the amino acids according to their physicochemical nature.
Details
It must be remembered that DDG > 0 implies destabilizing change and DDG > 0 implies a stabilizing change.