Electron structure calculations are used to explore stabilization effects of disulfide bridges in a (Ala-Cys-Ala-Cys-Ala)2 β-sheet model both in the parallel and the anti-parallel (103142 and 143102) arrangements. Stabilities were calculated using a redox reaction involving a weak oxidizing agent (1,4-benzoquinone). The results show that both inter- and intra-strand disulfide SS-bridges stabilize the β-sheet backbone fold. However, inter-strand SS-bridges give more stability than their intra-strand counterparts. For both single and double disulfide linked conformations, stabilization was larger for the parallel than for the anti-parallel β-sheet arrangements.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry