3QBI

crystal structure of an anion-free yellow form of pharaonis halorhodopsin

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 107
  • Norm. En. per Res.: -2.2459
• Hub Node: A(2)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-12.8462	-2.6415	-207.746	-223.2337	103	5	9	8769	0	9	11
A-D	-21.5072	-1.3033	-217.5	-240.3105	107	11	9	9270	0	8	13
B-D	-24.1534	-2.9712	-186.797	-213.9216	100	4	8	8237	0	9	11

Interface residues

• A-B: ALA137B, ALA146A, ALA152A, ALA158A, ALA165A, ALA166A, ALA167A, ALA185A, ALA43B, ALA45B, ALA64B, ALA68B, ALA80B, ALA86B, ALA98A, ARG176A, ARG22B, ARG63B, ASN145A, ASP156A, ASP60B, ASP61B, CYS186A, GLN21B, GLU197A, GLU23B, GLU26B, GLU95A, GLY46B, GLY84B, GLY88B, HIS173A, ILE153A, ILE153B, ILE157A, ILE182A, ILE193A, ILE42B, ILE49B, ILE67B, ILE72B, ILE79B, LEU125B, LEU129B, LEU136B, LEU140B, LEU149A, LEU164A, LEU168A, LEU174A, LEU24B, LEU29B, LEU38B, LEU50B, LEU59B, LEU66B, LEU73B, LEU85B, LEU89B, LEU94A, LYS148A, LYS65B, MET133B, MET159A, MET175A, MET96A, PHE150A, PHE155A, PHE178A, PHE25B, PRO132B, PRO62B, PRO75B, PRO97A, SER171A, SER172A, SER70B, SER81B, SER87B, THR147A, THR151A, THR154A, THR162A, THR169A, THR170A, THR20B, THR71B, THR83B, THR90B, TRP121B, TRP179A, TYR180A, TYR192A, TYR39B, TYR82B, VAL161A, VAL189A, VAL28B, VAL53B, VAL69B, VAL74B, VAL76B, VAL77B
• A-D: ALA137A, ALA146D, ALA152D, ALA158D, ALA165D, ALA166D, ALA167D, ALA185D, ALA43A, ALA45A, ALA64A, ALA68A, ALA80A, ALA86A, ALA98D, ARG176D, ARG22A, ARG57A, ARG63A, ASN145D, ASP156D, ASP60A, ASP61A, CYS186D, GLN21A, GLU197D, GLU23A, GLU26A, GLU95D, GLY46A, GLY84A, GLY88A, HIS173D, ILE153A, ILE153D, ILE157D, ILE182D, ILE193D, ILE278A, ILE42A, ILE49A, ILE67A, ILE72A, ILE79A, LEU125A, LEU129A, LEU136A, LEU140A, LEU149D, LEU164D, LEU168D, LEU174D, LEU24A, LEU29A, LEU38A, LEU50A, LEU66A, LEU73A, LEU85A, LEU89A, LEU94D, LYS148D, LYS65A, MET133A, MET159D, MET175D, MET96D, PHE150D, PHE155D, PHE178D, PHE25A, PRO132A, PRO62A, PRO75A, PRO97D, SER144D, SER171D, SER172D, SER183D, SER70A, SER78A, SER81A, SER87A, THR147D, THR151D, THR154D, THR162D, THR169D, THR170D, THR20A, THR71A, THR83A, THR90A, TRP121A, TRP179D, TYR180D, TYR192D, TYR39A, TYR82A, VAL161D, VAL189D, VAL28A, VAL53A, VAL69A, VAL74A, VAL76A, VAL77A
• B-D: ALA137D, ALA146B, ALA152B, ALA158B, ALA165B, ALA166B, ALA167B, ALA185B, ALA43D, ALA45D, ALA64D, ALA68D, ALA80D, ALA86D, ALA98B, ARG176B, ARG22D, ARG63D, ASN145B, ASP156B, ASP60D, ASP61D, CYS186B, GLN21D, GLU197B, GLU23D, GLU26D, GLU95B, GLY46D, GLY84D, GLY88D, HIS173B, ILE153B, ILE153D, ILE157B, ILE182B, ILE193B, ILE42D, ILE49D, ILE67D, ILE72D, ILE79D, LEU125D, LEU129D, LEU136D, LEU140D, LEU149B, LEU164B, LEU168B, LEU174B, LEU24D, LEU29D, LEU59D, LEU66D, LEU73D, LEU85D, LEU89D, LEU94B, LYS148B, LYS65D, MET133D, MET175B, PHE150B, PHE155B, PHE178B, PHE25D, PRO132D, PRO62D, PRO75D, PRO97B, SER171B, SER172B, SER277D, SER70D, SER81D, SER87D, THR147B, THR151B, THR154B, THR162B, THR169B, THR170B, THR20D, THR71D, THR83D, THR90D, TRP121D, TRP179B, TYR180B, TYR192B, TYR39D, TYR82D, VAL161B, VAL189B, VAL28D, VAL53D, VAL69D, VAL74D, VAL76D, VAL77D