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. Author manuscript; available in PMC: 2018 Sep 14.
Published in final edited form as: J Phys Chem B. 2016 Dec 15;121(15):3565–3573. doi: 10.1021/acs.jpcb.6b09421

Table 2.

H-bond occupancies of the non-phosphorylated ARH1.

  3HFW Occupancy (%)
TYR4 TYR4:HH...O:LEU140 86.92
TYR19 TYR19:HN...O:ASP15 31.60
TYR19:O...HN:GLY22 43.08
TYR19:O...OE1:GLU25 18.36
TYR19:O...OE2:GLU25 16.88
TYR20 TYR20:HN...O:ALA16 11.20
TYR20:O...HN:LYS23 26.48
TYR205 TYR205:HH...OE2:GLU157 67.88
TYR205:HN...O:GLU201 28.16
TYR205:HN...O:ALA202 <10
TYR205:O...HE22:GLN208 <10
TYR205:O...HN:GLN208 <10
TYR205:O...HN:SER209 89.64
TYR205:O...HB:SER209 11.32