. Author manuscript; available in PMC: 2009 Oct 1.

Published in final edited form as: J Phys Chem B. 2008 May 8;112(21):6716–6724. doi: 10.1021/jp800680w

Table 2.

Time percentage (%) for each of the distances that are shorter than the cutoffs ^a

	Arg280	Lys120	Arg248	Arg280	Lys120	Arg248
	From the 60 ns trajectory			From the 30 ns trajectory
Ho	79.3	33.8	88.1	60.4	44.2	88.5
Ho_CAAG	41.6	43.8	98.7	78.5	39.4	77.0
Ho_CTAG	17.8	40.8	85.3	18.3	24.0	72.2
Ho_CTTG	47.5	38.3	81.6	65.0	46.3	92.8

For each residue of Lys120, Arg248 and Arg280, averages were based on the data set collected at every 20 ps from the trajectory. Cutoff distance for the hydrogen bonds (Lys120 and Arg280) was 3.5 angstroms and that for the Arg248 interactions was 6.0 angstroms.