The conformational convergent calculations of alanine oligomer (2- to 7-mer) were performed by QCC in the order starting from 2-mer (4 × 164 kinds). The ϕ/ψ of 4- to 7-mer was converged to three types; α-helix (g+/g+ or g−/g−), PPII-like (g+/g− or g−/g+) and β-extended (t+/t− or t−/t+), in lower energy order. PPII-like was different from the PPII (g−/t+) reported, and considered to be 2.27 ribbon . The energy differences in left- and right-handed ‘methyl type’ of end group were found.
- Minoru Kobayashi
- Jae Ho Sim
- Hisaya Sato
