Figure 1
From: Graphical analysis of pH-dependent properties of proteins predicted using PROPKA
The PROPKA GUI. (A) The main window of the PROPKA GUI for accessing general pKa information about the ionizable residues and their contributions to the pH-dependent free energy of unfolding. (B) The structure display window of VMD for an interactive access to the pKa data for particular ionizable residues. It depicts the structure of Bacillus circulans xylanase [PDB:1XNB] as it is displayed, by default, after the structure and the pKa data are loaded, using simplified-style drawing method.