. Author manuscript; available in PMC: 2012 Mar 20.

Published in final edited form as: Proteins. 2010 Nov 30;79(3):787–802. doi: 10.1002/prot.22918

Table III.

Final set of low-energy configurations

Receptor, TM configuration		TM1	TM2	TM3	TM4	TM5	TM6	TM7	Energy, kcal/mol	Connections
WT	B	30	300	0	0	0	0	30	−571	*A₁/A₂/A₄/C/E*
	C	30	270	0	0	0	0	0	−571	*B/E*
	D	30	0	60	0	0	60	0	−569	*A₁/A₂/A₄*
	E	30	300	0	330	330	30	0	−565	*A₂/A₄/B/C*

NQ	B	30	300	60	0	0	30	30	−561	*A₁/A₂/A₃/A₆/C/D*
	C	0	330	60	30	30	30	30	−557	*B/D/3DQB*
	D	30	300	60	30	30	30	30	−548	*B/C*

NQ-N296A	B	300	300	60	0	0	30	30	−555	*A₂/C*
	C	300	300	60	30	30	30	30	−556	B
	D	300	300	60	30	300	30	30	−567	A₂

F251A	B	0	330	30	30	300	30	30	−556	*A₁/E*
	C	30	300	60	0	0	60	0	−536	*A₁/A₃/A₄/D*
	D	0	330	60	30	30	30	30	−551	*C/3DQB*
	E	30	330	30	30	300	30	60	−530	B
	F	30	300	0	330	330	30	0	−562	*A₂/A₃/A₄/G*
	G	30	270	0	330	330	30	0	−556	F