Table 2.
Solvent dynamics of water 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) | 22.6 ± 0.4 | 54.5 ± 5.3 | 63.2 ± 10.3 | 478 ± 96 | 25.3 ± 3.9 | 459 ± 110 | 20.6 ± 2.0 | 25.1 ± 0.5 | 36.8 ± 2.9 | 43.3 ± 2.3 |
| Diffusion coefficient (10−5 cm2/s) | 1.668 ± 0.029 | 1.116 ± 0.016 | 0.986 ± 0.021 | 0.172 ± 0.006 | 1.384 ± 0.044 | 0.586 ± 0.054 | 1.258 ± 0.097 | 1.228 ± 0.034 | 1.059 ± 0.022 | 1.454 ± 0.009 |
| Residence time (ps) | 45.7 ± 0.7 | 56.2 ± 1.4 | 52.6 ± 1.2 | 75.8 ± 4.3 | 42.5 ± 0.6 | 63.2 ± 1.6 | 46.1 ± 1.6 | 41.9 ± 0.8 | 59.5 ± 1.2 | 44.3 ± 0.3 |
Interior (Int) and exterior (Ext) status of the protein regions are indicated. (Calculated diffusion coefficient for the bulk solvent = 2.49 × 10−5 cm2/s).