Table 2. Binding energies and intermolecular forces in gabazine docking into LsRDLR homology models and the human α1β2γ2 GABAR cryo-EM structure.

GABAR	Binding energy (kJ/mol)	Hydrogen bond	π–π Stacking
LsRDLR
WT	−38.4	F166B, R71D, S136E	Y69D
Y69DF	−37.8	S165B, F166B, S136E	F69D
F73DS	−39.0	S165B, F166B, R71D	Y69D
F106AY	−36.3	S165B, F166B, R71D	Y69D
Y69DF/F73DS	−36.2	F166B, R126E	F69D
Y69DF/F106AY	−37.3	F166B, R71D, R126E, S136E	F69D
F73DS/F106AY	−41.5	F166B, R71D	Y69D
Y69DF/F73DS/F106AY	−40.2	S165B, F166B, T211C, S136E	F69D
Human GABAR
α1β2γ2 GABAR cryo-EM	−47.3	Y157βB, Y205βC, R67αD, R120αE	Y157βB, F65αD

Superscript uppercase letters indicate loop names. Superscript Greek letters indicate subunit names.