iep

Function

Description

iep calculates the isoelectric point of a protein from its amino acid composition assuming that no electrostatic interactions change the propensity for ionization. Optionally, iep will plot the ionization curve with respect to pH and write an output file of the data, where for each pH point the number of bound electrons and charge is given.

Usage

Command line arguments


Input file format

iep

reads in any protein sequence USA.

Output file format

For each pH point it gives the number of bound electrons and the charge.

Data files

iep reads in local data file Epk.dat which contains amino acid pK values used to calculate the isoelectric point of the whole protein

Here is the default Epk.dat file:

# pK values for amino acids
# O=Ornithine J=Hydroxyproline
#
# Amino acid	pK
Amino		8.6
Carboxyl	3.6

C		8.5
D		3.9
E		4.1
H		6.5
K		10.8
R		12.5
Y		10.1

Notes

Adjusting the pH of an aqueous protein solution to the point where the numbers of positive and negative charges on the protein are equal brings the protein to its isoelectric point. This is often the point of lowest solubility, presumably because it is the point at which there are fewest intermolecular repulsions, so that the molecules tend to form aggregates.

References

None.

Warnings

None.

Diagnostic Error Messages

None.

Exit status

0 if successful.

Known bugs

None.

Author(s)

History

Target users

Comments