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. 2012 Feb 22;102(4):907–915. doi: 10.1016/j.bpj.2012.01.035

Table 1.

Secondary structure elements and end-to-end distance Ree of the investigated peptides calculated from MD computer simulations at T = 300 K

EK
 (AK)6
 (AE)6
h 310t Ree(nm) h 310t Ree(nm) h 310t
No salt 0.62 0.17 1.74 −
KF (4 M) 0.59 0.19 1.46 0.58 0.19 1.46 0.48 0.20
KCl (3.5 M) 0.55 0.18 1.60 0.63 0.15 1.68 0.54 0.18
NaCl (3.7 M) 0.35 0.23 1.48 0.62 0.15 1.54 0.44 0.19
GdmCl(3.0 M) 0.29 0.16 1.62 0.23 0.25 1.70 –
NaClO4 (3.0 M) 0.19 0.38 1.57 0.29 0.38 1.61 –

h is the average α-helicity, whereas 310t represents the sum of 310 helices and turn structures. Absolute errors on 310t structure estimation are about ±0.1 calculated from block averages (33).