Table 5.
Solvent dynamics of acetonitrile around each α-helix.
| α1 (Ext) | α2 (Int-Ext) | α3 (Int-Ext) | α4 (Int) | α5 (Ext) | α6 (Int) | α7 (Int-Ext) | α8 (Ext) | α9 (Int-Ext) | α10 (Ext) | |
|---|---|---|---|---|---|---|---|---|---|---|
| Hydrogen bond lifetime (ps) | 37.7 ± 0.8 | 19.5 ± 0.3 | 73.6 ± 1.3 | – | 210 ± 47 | 418 ± 107 | 36.8 ± 0.6 | – | 216 ± 19 | 63.6 ± 0.4 |
| Diffusion coefficient (10−5 cm2/s) | 3.23 ± 0.05 | 2.32 ± 0.07 | 1.88 ± 0.06 | 1.68 ± 0.07 | 3.01 ± 0.05 | 1.47 ± 0.08 | 2.79 ± 0.06 | 3.04 ± 0.07 | 1.47 ± 0.06 | 3.08 ± 0.03 |
| Residence time (ps) | 20.3 ± 0.5 | 33.6 ± 0.6 | 32.0 ± 0.9 | 37.2 ± 1.0 | 29.8 ± 0.6 | 39.2 ± 1.0 | 32.5 ± 1.0 | 29.6 ± 0.4 | 37.5 ± 0.4 | 25.0 ± 0.2 |
(Calculated diffusion coefficient for the bulk solvent = 4.62 × 10−5 cm2/s).