Molecular modelling of pentapeptide and tetrapeptide sequences of C-hordein

Arkin H., YAŞAR F., ÇELİK S., Celik S., KÖKSEL H.

JOURNAL OF THE INSTITUTE OF BREWING, vol.107, no.6, pp.383-388, 2001 (SCI-Expanded) identifier identifier


The contribution of the three dimensional structures Of one pentapeptide (PQQPY) mid two common tetrapeptide sequences (QPQQ mid QPFP; the one letter code) to the conformation of C-hordein are investigated using the recently developed multicanonical simulation procedure. Ramachandran Plots Were prepared mid analysed to predict the relative occurance probabilities of beta-turn mid gamma-turn structures. Structural predictions of PQQPY mid QPQQ sequences indicated the presence of considerable level of beta-turns mid high level of gamma-turns. It Was possible to distinguish different types of beta-turns mid their occurrence probabilities. Structural predictions of QPFP sequence indicated that occurrence probabilities of different types of beta-turns were negligable as F is placed in second or third positions of the turn.