MULTICANONICAL SIMULATIONS OF FIVE TETRAPEPTIDE SEQUENCES IN THE CENTRAL DOMAIN OF HMW GLUTENIN

Handan Arkin, Fati̇h Yaşar, Tarik Çeli̇k (), Süeda Çeli̇k and Hami̇t Köksel
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Handan Arkin: Department of Physics Engineering, Hacettepe University, Ankara, Turkey
Fati̇h Yaşar: Department of Physics Engineering, Hacettepe University, Ankara, Turkey
Tarik Çeli̇k: Department of Physics Engineering, Hacettepe University, Ankara, Turkey
Süeda Çeli̇k: Department of Food Engineering, Hacettepe University, Ankara, Turkey
Hami̇t Köksel: Department of Food Engineering, Hacettepe University, Ankara, Turkey

International Journal of Modern Physics C (IJMPC), 2000, vol. 11, issue 08, 1595-1606

Abstract: The application of the multicanonical simulation method to small proteins and peptides seems to be feasible and should be undertaken. In this work, the three-dimensional structures of five common tetrapeptide sequences (QPGQ, QSGQ, YPTS, SPQQ and QPGY, in one letter code) in the repetitive central domain of HMW glutenin subunits are investigated by using the multicanonical simulation procedure. Ramachandran plots were prepared and analyzed to predict the relative occurrence probabilities ofβ-turn andγ-turn structures and helical states. Structural predictions of the five tetrapeptide sequences indicated the presence of high level ofβ-turns and considerable level ofγ-turns. It was also possible to distinguish different type of turns and their occurrence probabilities.

Keywords: HMW Glutenin; Molecular Modeling of Secondary Structures; Multicanonical Simulation; Proteins; Peptides; Energy Minimization (search for similar items in EconPapers)
Date: 2000
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DOI: 10.1142/S0129183100001486

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