. Author manuscript; available in PMC: 2018 Jan 12.

Published in final edited form as: J Phys Chem B. 2016 Dec 20;121(1):78–88. doi: 10.1021/acs.jpcb.6b10188

Table 4.

KLD for Each Binding Case with Respect to No Binding for N189, N206, and R249 Residues

systems	binding	KLD_N189	KLD_N206	KLD_R249
without POG	K211	2.29	2.78	2.79
	K209	1.91	2.53	2.51
	K211 and K209	2.42	3.37	3.34
with POG	K211	2.11	2.34	2.21
	K209	2.79	3.34	2.84
	K211 and K209	3.78	4.61	4.12