. Author manuscript; available in PMC: 2015 Jan 9.

Published in final edited form as: J Mol Biol. 2013 Sep 17;426(1):10.1016/j.jmb.2013.09.012. doi: 10.1016/j.jmb.2013.09.012

Table 8.

Comparison of the distances between the terminal amino acids of the THp-(14–26) and THp-(11–22) fragments from the 14-3-3γ:THp simulation and the corresponding distances taken from the simulations of THp-(1–43) and TH-(1–43) in water and in the presence of the POPS bilayer.

System	Distance (Å)

	Phe14-Ala26	Ala11-Asp22
THp fragments (in the 14-3-3γ:THp complex)^a	22.9 ± 2.1	26.9 ± 1.6
THp-(1–43)/water^b	14.9 ± 0.9	13.8 ± 1.2
TH-(1–43)/water^b	12.3 ± 2.7	18.9 ± 3.6
THp-(1–43)/POPS^b	20.9 ± 0.8	15.3 ± 0.3
TH-(1–43)/POPS^b	9.8 ± 0.6	21.3 ± 0.8

Averaged over the last 50 ns of simulation

Averaged over the last 100 ns of simulation