Provides a framework for fitting conformations on a fixed backbone into electron density. Current Fitmunk applications can assist in protein model building, refinement and validation. Fitmunk was extensively tested on over 115 new structures, as well as a subset of 1100 structures from the PDB. It is demonstrated that the ability of Fitmunk to model more than 95% of side chains accurately is beneficial for improving the quality of crystallographic protein models, especially at medium and low resolutions. Fitmunk can be used for model validation of existing structures and as a tool to assess whether side chains are modeled optimally or could be better fitted into electron density.
Department of Molecular Physiology and Biological Physics, University of Virginia, Charlottesville, VA, USA; Faculty of Biochemistry, Biophysics and Biotechnology, Jagiellonian University, Kraków, Poland
Fitmunk funding source(s)
This work was supported by National Institutes of Health Grants GM053163 and HG008424.