Describing protein structure: a general algorithm yielding complete helicoidal parameters and a unique overall axis.
We present a general and mathematically rigorous algorithm which allows the helicoidal structure of a protein to be calculated starting from the atomic coordinates of its peptide backbone. This algorithm yields a unique curved axis which quantifies the folding of the backbone and a full set of helicoidal parameters describing the location of each peptide unit. The parameters obtained form a complete and independent set and can therefore be used for analyzing, comparing, or reconstructing protein backbone geometry. This algorithm has been implemented in a computer program named P-Curve. Several examples of its possible applications are discussed.
Sklenar
H
H
Central Institute of Molecular Biology, Academy of Sciences of the GDR, Berlin Buch.
Etchebest
C
C
Lavery
R
R
D000465:Algorithms; D010455:Peptides; D011487:Protein Conformation; D012984:Software
D010455:Peptides