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Calligari, P.A. and Kneller, G.R.

ScrewFit: Combining localization and description of protein secondary structure

Acta Crystallogr D Biol Crystallogr. 68 (Pt 12):1690-1693

by Frapart - published on , updated on


We present a new application of the ScrewFit algorithm (Acta Cryst. D 62, p.
302-11 (2006)) which adds the detection of protein secondary structure elements to
their detailed geometrical description in terms of a curve with intrinsic torsion. The
extension is based on con-dence and persistence criteria for the ScrewFit parameters
which are established by analyzing the structural
uctuations of standard motifs in the
SCOP fold classes. The agreement with the widely used DSSP method is comparable
with the general consensus among other methods in literature. The combination of
secondary structure detection and analysis is illustrated for the enzyme Adenylate