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. Author manuscript; available in PMC: 2014 Feb 25.
Published in final edited form as: J Chem Inf Model. 2013 Jan 31;53(2):452–460. doi: 10.1021/ci300506y

Table 4.

Hydrogen bonding between arginase I residues and charged arginine.

Res. Id. Protein
atom
substrate
atom
% occurrence
Arg+ &
OH
Arg+
Donor Acceptor
Asn130 ND2 OT1 28.02 22.18
Thr135 OG1 OT1 0.01 NA
Thr136 OG1 OT1 0.01 NA
Ser137 OG OT1 16.39 7.57
Ser137 OG OT2 61.42 37.2
Asn139 ND2 OT2 0.27 0.05
Acceptor Donor Arg+ &
OH
Arg+
Asp128 OD NE 101.57 31.53
Asp128 OD NH1 20.62 11.47
His141 O NH1 94.12 36.48
His141 O NE 0.01 0.17
Asp181 OD N 19.21 NA
Asp183 OD N 5.26 40.8
Glu186 OE N 14.91 0.69
Asp232 OD NH1 NA 0.14
Thr246 OG1 NH2 97.25 27.89
Glu277 OE NH1 99.98 40.19
Glu277 OE NH2 71.13 47.91

NA: No hydrogen bond observed.