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. Author manuscript; available in PMC: 2014 May 14.
Published in final edited form as: J Chem Theory Comput. 2013 Mar 18;9(5):2226–2234. doi: 10.1021/ct4001087

Table II.

Effective density and fluctuation index of BIIB021-protein system

Subsystem N1 N1 N2 N2 N3 N4 N4 N6
Environment Asp83 XWAT1 Thr169 XWAT2 XWAT3 Bulk water Bulk water Bulk water
Effective density −0.048 −0.031 −0.016 −0.016 −0.031 −0.024 −0.018 −0.031
Fluctuation index 0.27% 0.35% 0.55% 0.58% 0.34% 0.47% 0.60% 0.40%