Table 1. Spectroscopic parameters and the obtained dihedral angles of AYA peptides.
AXA | RIR | Riso | Raniso | ρ+ | ρ- | ϕ,o | ψ,o |
---|---|---|---|---|---|---|---|
AAA† | 1.52† | 0.48† | 1.14† | 0.22† | 0.13† | –120 + 7/–3† | 164 + 7/–2† |
AFA | 1.52 | 0.46 | 0.88 | 0.21 | 0.13 | –140 ± 15 | 170 ± 10 |
AGA | 1.35 | 0.34 | 1.31 | 0.23 | 0.08 | –105 ± 20 | 170 ± 10 |
AMA | 1.35 | 0.45 | 1.16 | 0.19 | 0.09 | –110 ± 10† | 170 ± 10† |
AHA‡ | 1.8 | 0.2 | 1.14 | 0.35 | 0.13 | –160 ± 10 | 140 ± 10 |
AHA§ | 1.55 | 0.56 | 0.94 | 0.25 | 0.15 | –130 ± 10 | 170 ± 10 |
AVA¶ | — | 0.51 | 0.93 | 0.2 | 0.12 | –165 ± 5 | 140 ± 5 |
AKA‡ | 1.64 | 0.53 | (0.6)? | 0.08 | 0.07 | –155 ± 10 | 145 ± 10 |
AKA§ | 1.16 | 0.42 | 1.06 | 0.16 | 0.17 | –55 ± 10 | 150 ± 20 |
ALA | 1.45 | 0.5 | 1.02 | 0.29 | 0.18 | –125 ± 5 | 170 ± 10 |
AYA§ | 1.15 | 0.38 | 4.0 | 0.34 | 0.05 | –70 ± 10 | 150 ± 10 |
APA∥ | 1.2 | 0.8 | 1.05 | 0.18 | 0.15 | –75 ± 5 | 150 ± 5 |
AWA§ | 1.5 | 0.38 | (0.5)* | 0.25 | 0.13 | –170 ± 10** | 150 ± 20** |
ASA | 1.75 | 0.3 | 0.7 | 0.38 | 0.23 | –130 ± 10 | 178 ± 20 |
Taken from ref. 18
Zwitterionic
Cationic
RIR could not be determined because of a strong spectral contamination from the 1,676 cm-1 band of TFA, which could not be eliminated
Anionic
The dihedral angles reflect a combined analysis of the Raman and VCD spectra