zScales: Compute the Z-scales of a protein sequence

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

Compute the Z-scales of a protein sequence

Description

Z-scales are based on physicochemical properties of the AAs including NMR data and thin-layer chromatography (TLC) data.

Usage

zScales(seq)

Arguments

seq	An amino-acids sequence

Value

The computed average of Z-scales of all the amino acids in the corresponding peptide sequence. Each Z scale represent an amino-acid property as follows:

• Z1: Lipophilicity

• Z2: Steric properties (Steric bulk/Polarizability)

• Z3: Electronic properties (Polarity / Charge)

• Z4 and Z5: They relate electronegativity, heat of formation, electrophilicity and hardness.

References

Sandberg M, Eriksson L, Jonsson J, Sjostrom M, Wold S: New chemical descriptors relevant for the design of biologically active peptides. A multivariate characterization of 87 amino acids. J Med Chem 1998, 41:2481-2491.

Examples

zScales(seq = "QWGRRCCGWGPGRRYCVRWC")
# [[1]]
#  Z1      Z2      Z3      Z4      Z5 
# 0.6200  0.0865  0.0665  0.7280 -0.8740 

dosorio/Peptides documentation built on Jan. 4, 2024, 2:28 p.m.