. Author manuscript; available in PMC: 2014 Mar 26.

Published in final edited form as: Commun Comput Phys. 2012 Jun 12;13(1):13–30. doi: 10.4208/cicp.300611.120911s

Table 2.

Optimal sets of dielectric constants reported for the entiredataset and for mutations involving specific amino acid type calculated with Amber, Charm, and OPLSforce fields. The “X” stands for type of mutation, for example X=Asp indicates a mutation involving Asp.

	X	Arg ε₁	His ε₂	Lys ε₃	Asp ε₄	Glu ε₅	Ser ε₆	Thr ε₇	Asn ε₈	Gln ε₉	Other ε₁₀
Amber	All	18	21	20	18	19	10	12	13	13	14
	Asp	18	22	20	17	19	11	12	12	13	14
	Glu	18	21	20	17	19	11	12	13	13	14
	Arg	18	22	20	18	20	11	12	13	13	16
	His	18	21	20	18	19	10	12	13	13	18
	Lys	18	22	20	18	19	10	12	13	14	14
Charmm	All	18	22	20	17	19	11	12	13	13	14
	Asp	18	22	20	17	19	11	12	13	13	14
	Glu	18	22	20	17	19	11	12	13	13	14
	Arg	18	22	20	17	19	11	12	13	13	14
	His	18	21	20	17	19	11	12	13	13	18
	Lys	18	21	20	17	19	11	12	13	13	14
OPLS	All	18	21	20	17	19	11	12	13	13	16
	Asp	18	21	20	17	19	11	12	13	13	18
	Glu	18	21	20	18	19	11	12	13	13	16
	Arg	18	21	20	17	19	11	12	13	13	14
	His	18	21	20	17	19	11	12	13	13	18
	Lys	18	22	20	18	19	11	12	13	13	18