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. Author manuscript; available in PMC: 2019 May 30.
Published in final edited form as: Phys Chem Chem Phys. 2018 May 30;20(21):14765–14777. doi: 10.1039/c8cp01674g

Table 1.

Hydration dynamics around each α-helix. Exterior regions are denoted as Ext. Interior regions are denoted as Int. Segments having both interior and exterior regions are denoted as Int-Ext.

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) 22.8 ± 0.4 55.3 ± 4.5 60.9 ± 11.4 454 ± 84 23.8 ± 1.7 453 ± 95 25.3 ± 1.2 25.1 ± 0.5 37.5 ± 2.7 40.1 ± 2.1
Residence time (ps) 43.5 ± 0.6 50.4 ± 1.5 51.0 ± 1.2 76.5 ± 3.8 42.4 ± 0.6 63.2 ± 1.4 46.7 ± 1.6 41.6 ± .7 51.2 ± 1.1 44.3 ± 0.3
Diffusion coefficient (1e-5 cm2/s) 1.60 ± 0.03 1.14 ± 0.06 1.02 ± 0.04 0.17 ± 0.08 1.49 ± 0.08 0.77 ± 0.06 1.28 ± 0.06 1.31 ± 0.06 1.01 ± 0.02 1.46 ± 0.01
Reorientation time (ps) 1.96 ± 0.03 3.42 ± 0.09 4.05 ± 0.15 4.98 ± 0.15 2.67 ± 0.10 4.80 ± 0.14 2.65 ± 0.12 2.92 ± 0.12 3.38 ± 0.21 2.45 ± 0.05