Abstract:
:Circular dichroic spectra and oscillator strengths of the π-π transition near 190 nm are calculated for helical (Gly)6 and (Ala)6 at 30° intervals of the backbone torsion angles (ϕ,ψ) over the range -180° ≤ ϕ ≤ -60°, -60° ≤ ψ ≤ 180°, using the partially dispersive normal mode treatment of the dipole interaction model. Polarizabilities of atoms and the NC'O group are those determined semiempirically in previous studies. Calculations for (Ala)6 at (ϕ,ψ) angles corresponding to the α-helix, the poly(Pro) II helix, a collagen single helix, a poly-(MeAla) helix, and single β-helices are found to agree well with most of the available experimental data.
journal_name
Biopolymersjournal_title
Biopolymersauthors
Applequist Jdoi
10.1002/bip.1981.360200210subject
Has Abstractpub_date
1981-02-01 00:00:00pages
387-397issue
2eissn
0006-3525issn
1097-0282journal_volume
20pub_type
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