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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 1.

Proteins investigated in this study. In each case chain A in the PDB entry was analyzed. The numbers of hydration sites of each type (see main text) are also listed.

Number of Sites
Protein Abbrev. PDB ID Res (Å) A.En A.Fr P.En P.Fr C.En C.Fr
Abl Kinase Abl 3CS935 2.21 13 1 13 2 2 8
Acetylcholinesterase AChE 4EY78 2.35 14 2 18 4 4 2
Caspase 3 Casp 2H5I9 1.69 5 0 16 11 0 8
Factor Xa Fxa 1FJS10 1.92 8 3 10 6 3 12
HIV-1 Protease HIVP 3NUO11 1.35 4 1 8 3 9 8
Streptavidin Strept 1STP12 2.60 5 0 10 2 0 3
Total 49 7 75 28 18 41