Table 1.

Summary of simulations in this work.

Simulation	Type	Starting configuration		Time
		Binding mode	H297 State	(μs)
WE-HIE	WE	D147 salt bridge	HIE	24.3
WE-HID	WE	D147 salt bridge	HID	23.6
CpH-apo	CpHMD	Apo active mOR	Dynamic	0.32
CpH-D147	CpHMD	D147 salt bridge	Dynamic	0.32
CpH-H297	CpHMD	H297 hydrogen bond	Dynamic	0.32
MD-D147(HID)	equil. MD	D147 salt-bridge	HID	0.5
MD-D147(HIE)	equil. MD	D147 salt-bridge	HIE	0.5
MD-D147(HIP)	equil. MD	D147 salt-bridge	HIP	0.5
MD-H297(HID)	equil. MD	H297 h-bond	HID	1.0
MD-H297(HIE)	equil. MD	H297 h-bond	HIE	1.0
MD-H297(HIP)	equil. MD	H297 h-bond	HIP	1.0