Amino acid recognition for automatic resonance assignment of intrinsically disordered proteins

摘要: Resonance assignment is a prerequisite for almost any NMR-based study of proteins. It can be very challenging in some cases, however, due to the nature protein under investigation. This case with intrinsically disordered proteins, example, whose NMR spectra suffer from low chemical shifts dispersion and generally resolution. For these systems, sequence specific highly time-consuming, so prospect using automatic strategies their attractive. In this article we present new version program TSAR dedicated particular, demonstrate how procedure improved by incorporating methods amino acid recognition information on selected acids. The approach was tested silico 16 proteins experimentally α-synuclein, remarkably good results.