对接物质

CDOCKER-energy

(kJ/mol)

氢键

键长(Å)

键角(θ)

亚油酸

−37.60

A:ARG707:HH21 - Lonleic acid:O1

1.98

157.4

亚油酸甲酯

−57.69

A:ARG707:HE - Methyl lionleate:O2

1.85

141.3

A:ARG707:HH21 - Methyl lionleate:O2

1.96

137.5