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. Author manuscript; available in PMC: 2017 Sep 1.
Published in final edited form as: J Phys Chem B. 2016 Jun 2;120(34):8743–8756. doi: 10.1021/acs.jpcb.6b01094

Table 4.

Summary statistics, by hydration site categories, for all sites and sites displaced by bound ligands.

Type All Sites Displaced
Sites
Fraction
displaced
A.En.F 32 18 0.56
A.En.U 17 12 0.71
A.Fr.F 2 1 0.50
A.Fr.U 5 4 0.80
P.En.F 45 20 0.44
P.En.U 30 18 0.60
P.Fr.F 17 7 0.41
P.Fr.U 11 3 0.27
C.En.F 18 7 0.39
C.Fr.F 41 14 0.34
All En 142 75 0.53
All Fr 76 29 0.38
All A 56 35 0.63
All P 103 48 0.47
All C 59 21 0.36
All F 155 67 0.43
All U 63 37 0.59