Table 1. Fraction of Alpha-Helical Conformations Measured by α-Helical Hydrogen Bonds (HB), Backbone Dihedrals (PP), and DSSP Algorithma.
| system | HB | PP | DSSP |
|---|---|---|---|
| ALA5 h | 0.026 ± 0.006 | 0.090 ± 0.005 | |
| ALA5 e | 0.032 ± 0.006 | 0.096 ± 0.004 | |
| ALA5 h+e | 0.029 ± 0.004 | 0.093 ± 0.003 | |
| ALA8 h | 0.060 ± 0.021 | 0.117 ± 0.019 | 0.04 |
| ALA8 e | 0.068 ± 0.020 | 0.122 ± 0.016 | 0.05 |
| ALA8 h+e | 0.063 ± 0.014 | 0.119 ± 0.012 | 0.05 |
| ALA15 h | 0.219 ± 0.132 | 0.254 ± 0.112 | 0.21 |
| ALA15 e | 0.278 ± 0.116 | 0.306 ± 0.099 | 0.27 |
| ALA15 h+e | 0.249 ± 0.087 | 0.280 ± 0.075 | 0.24 |
| ALA21 h | 0.590 ± 0.099 | 0.584 ± 0.085 | 0.58 |
| ALA21 e | 0.585 ± 0.151 | 0.578 ± 0.131 | 0.60 |
| ALA21 h+e | 0.588 ± 0.090 | 0.581 ± 0.078 | 0.59 |
| (AAQAA)3 h | 0.236 ± 0.099 | 0.270 ± 0.086 | 0.23 |
| (AAQAA)3 e | 0.198 ± 0.083 | 0.237 ± 0.073 | 0.19 |
| (AAQAA)3 h+e | 0.217 ± 0.065 | 0.254 ± 0.057 | 0.21 |
| KR1 h | 0.046 ± 0.023 | 0.056 ± 0.027 | 0.06 |
| KR1 e | 0.057 ± 0.030 | 0.070 ± 0.039 | 0.04 |
| KR1 h+e | 0.052 ± 0.018 | 0.063 ± 0.020 | 0.05 |
See the “Materials and Methods” section for details. Averaged results for the two probed trajectories in the case of each peptide are highlighted in light gray. ALAn results are from ref (4).