Graphical analysis of pH-dependent properties of proteins predicted using PROPKA.

ABSTRACT:

Background

Charge states of ionizable residues in proteins determine their pH-dependent properties through their pKa values. Thus, various theoretical methods to determine ionization constants of residues in biological systems have been developed. One of the more widely used approaches for predicting pKa values in proteins is the PROPKA program, which provides convenient structural rationalization of the predicted pKa values without any additional calculations.

Results

The PROPKA Graphical User Interface (GUI) is a new tool for studying the pH-dependent properties of proteins such as charge and stabilization energy. It facilitates a quantitative analysis of pKa values of ionizable residues together with their structural determinants by providing a direct link between the pKa

SUBMITTER: Rostkowski M 

PROVIDER: S-EPMC3038139 | biostudies-literature | 2011 Jan

REPOSITORIES: biostudies-literature