Table 9.

Hydrogen bond formation involved in the structural change in CYP2A6.44.

Donor	Donor H	Acceptor	Wild Type	2A6.44
Glu103 N	Glu103 H	Glu390 Oε1	96.67	–
Arg373 Nε	Arg373 Hε	Glu390 Oε1	99.40	–
Arg373 Nη2	Arg373 Hη2	Glu390 Oε1	95.10	–
Arg373 Nη2	Arg373 Hη2	Glu390 Oε2	73.22	–
Lys390 Nζ1	Lys390 Hζ1	Glu103 Oε1	–	14.18
Lys390 Nζ2	Lys390 Hζ2	Glu103 Oε1	–	19.30
Lys390 Nζ3	Lys390 Hζ3	Glu103 Oε1	–	35.42
Lys390 Nζ1	Lys390 Hζ1	Glu103 Oε2	–	17.50
Lys390 Nζ2	Lys390 Hζ2	Glu103 Oε2	–	8.72
Lys390 Nζ3	Lys390 Hζ3	Glu103 Oε2	–	6.76
Lys390 Nζ1	Lys390 Hζ1	Glu103 O	–	19.96
Lys390 Nζ2	Lys390 Hζ2	Glu103 O	–	32.06
Lys390 Nζ3	Lys390 Hζ3	Glu103 O	–	22.28
Lys390 Nζ1	Lys390 Hζ1	Glu221 Oε1	–	38.20
Lys390 Nζ2	Lys390 Hζ2	Glu221 Oε1	–	28.04
Lys390 Nζ3	Lys390 Hζ3	Glu221 Oε1	–	25.60
Lys390 Nζ1	Lys390 Hζ1	Glu221 Oε2	–	36.88
Lys390 Nζ2	Lys390 Hζ2	Glu221 Oε2	–	27.58
Lys390 Nζ3	Lys390 Hζ3	Glu221 Oε2	–	25.52
Phe480 N	Phe480 H	Thr212 O	73.92	0
Ala481 N	Ala481 H	Thr212 O	78.72	0