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Molecular Modelling of Pentapeptide and Tetrapeptide Sequences of C‐Hordein
Author(s) -
Arkin H.,
Yasar F.,
Çelik T.,
Çelik S.,
Köksel H.
Publication year - 2001
Publication title -
journal of the institute of brewing
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.523
H-Index - 51
eISSN - 2050-0416
pISSN - 0046-9750
DOI - 10.1002/j.2050-0416.2001.tb00108.x
Subject(s) - tetrapeptide , pentapeptide repeat , ramachandran plot , sequence (biology) , turn (biochemistry) , chemistry , algorithm , biological system , mathematics , biology , protein structure , peptide , biochemistry
The contribution of the three dimensional structures of one pentapeptide (PQQPY) and two common tetrapeptide sequences (QPQQ and QPFP; in one letter code) to the conformation of C‐hordein are investigated using the recently developed multicanonical simulation procedure. Ramachandran plots were prepared and analysed to predict the relative occurrence probabilities of β‐turn and γ‐turn structures. Structural predictions of PQQPY and QPQQ sequences indicated the presence of considerable level of β‐turns and high level of γ‐turns. It was possible to distinguish different types of β‐turns and their occurrence probabilities. Structural predictions of QPFP sequence indicated that occurrence probabilities of different types of β‐turns were negligable as F is placed in second or third positions of the turn.