massShift: Calculate the mass difference of modified peptides.

In Peptides: Calculate Indices and Theoretical Physicochemical Properties of Protein Sequences

Calculate the mass difference of modified peptides.

Description

This function calculates the mass difference of peptides introduced by chemical modifications or heavy isotope labelling.

Usage

massShift(seq, label = "none", aaShift = NULL, monoisotopic = TRUE)

Arguments

seq	An amino-acids sequence, in one letter code.
label	Set a predefined heavy isotope label. Accepts "none", "silac_13c", "silac_13c15n" and "15n". Overwrites input in aaShift.
aaShift	Define the mass difference in Dalton of given amino acids as a named vector. Use the amino acid one letter code as names and the mass shift in Dalton as values. N-terminal and C-terminal modifications can be defined by using "Nterm =" and "Cterm =", respectively.
monoisotopic	A logical value 'TRUE' or 'FALSE' indicating if monoisotopic weights of amino-acids should be used

Source

For the predefined heavy isotope labels, compare:

• silac_13c Unimod 188

• silac_13c15n Unimod 259 and Unimod 267

• 15n Unimod 994, Unimod 995, Unimod 996 and Unimod 897

Examples

massShift("EGVNDNECEGFFSAR", label = "silac_13c")
massShift("EGVNDNECEGFFSAR", aaShift = c(K = 6.020129, R = 6.020129))

Peptides documentation built on May 29, 2024, 11:02 a.m.