2POX

dark state structure of the reversibly switchable fluorescent protein dronpa

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 49
  • Norm. En. per Res.: -4.412
• Hub Node: A(3)

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	-39.3952	22.1602	-212.527	-229.762	104	5	1	9168	0	27	26
A-C	-31.9092	-41.1788	-143.101	-216.189	49	4	5	5021	4	30	26
A-D	-8.8495	-9.0759	-70.3204	-88.2458	46	5	0	2818	1	19	20
B-C	-15.6051	-8.5849	-79.5629	-103.753	47	11	0	3117	1	20	22
B-D	-10.6258	37.6789	-74.9943	-47.9412	44	3	2	2860	0	36	30
C-D	-43.2264	-4.1168	-203.563	-250.9062	102	8	1	8583	0	28	24

Interface residues

• A-B: ALA103A, ALA103B, ALA127A, ALA127B, ALA17A, ALA17B, ARG119A, ARG119B, ARG149A, ARG149B, ARG91A, ARG91B, ASN102A, ASN102B, ASN105A, ASN105B, ASN124A, ASN124B, ASN128A, ASN128B, ASN19A, ASN19B, ASN94A, ASN94B, ASP106A, ASP106B, ASP121A, ASP121B, ASP150A, ASP150B, ASP156A, ASP156B, ASP172A, ASP172B, ASP97A, ASP97B, CYS101A, CYS101B, GLU117A, GLU117B, GLU15A, GLU15B, GLU90A, GLU90B, GLY122A, GLY122B, GLY129B, GLY151B, GLY155A, GLY155B, GLY16A, GLY16B, GLY20A, GLY20B, GLY98A, GLY98B, GLY99A, GLY99B, HIS21A, HIS21B, ILE100A, ILE100B, LYS154A, LYS154B, LYS174A, LYS174B, LYS178A, LYS178B, LYS180A, LYS180B, MET132A, MET132B, MET93A, MET93B, PHE120A, PHE120B, PHE125A, PHE125B, PHE173A, PHE173B, PRO126A, PRO126B, PRO22A, PRO22B, SER88A, SER88B, SER92A, SER92B, THR104A, THR104B, THR175A, THR175B, THR176A, THR176B, TRP89A, TRP89B, TYR177A, TYR177B, VAL123A, VAL123B, VAL152A, VAL152B, VAL18A, VAL18B
• A-C: ARG149A, ARG149C, ASN158A, ASN158C, ASP150A, ASP150C, ASP156A, ASP156C, ASP172A, ASP172C, ASP187A, ASP187C, GLU144C, GLU218A, GLU218C, GLY151A, GLY151C, GLY155A, GLY155C, HIS189A, HIS189C, LEU146A, LEU146C, LEU185A, LEU185C, LYS145A, LYS145C, LYS154A, LYS154C, LYS174A, LYS174C, PHE173A, PHE173C, PHE190A, PHE190C, PRO186A, PRO186C, THR143A, THR143C, TYR147A, TYR147C, TYR188A, TYR188C, VAL148A, VAL148C, VAL152A, VAL152C, VAL157A, VAL157C
• A-D: ALA160A, ALA160D, ARG135D, ARG170A, ARG170D, ASN128D, ASN158A, ASN94A, ASP172A, ASP97A, ASP97D, CYS171A, GLN133D, GLU140A, GLU140D, GLU164D, GLU96A, GLU96D, GLY129D, GLY165D, GLY166A, GLY166D, GLY167A, GLY167D, GLY98A, GLY98D, GLY99A, HIS168A, HIS168D, ILE100A, LEU161A, LEU161D, LEU163A, LEU163D, LYS145A, LYS174A, MET159A, MET93A, PHE190A, PRO126D, PRO130D, SER162A, SER162D, TYR169A, TYR169D, TYR95A
• B-C: ALA127B, ALA160B, ALA160C, ARG135B, ARG170B, ARG170C, ASN128B, ASN158C, ASN94C, ASP172C, ASP97B, ASP97C, CYS171C, GLN133B, GLU140B, GLU140C, GLU164B, GLU96B, GLU96C, GLY129B, GLY165B, GLY166B, GLY166C, GLY167B, GLY167C, GLY98B, GLY98C, GLY99C, HIS168B, HIS168C, ILE100C, LEU161B, LEU161C, LEU163B, LEU163C, LYS145C, LYS174C, MET159C, MET93C, PHE190C, PRO126B, PRO130B, SER162B, SER162C, TYR169B, TYR169C, TYR95C
• B-D: ARG149B, ARG149D, ARG170B, ARG170D, ASN158B, ASN158D, ASN94B, ASN94D, ASP156B, ASP156D, ASP172B, ASP172D, ASP187B, ASP187D, GLU218B, GLU218D, HIS189B, HIS189D, HIS216D, ILE75D, LEU146B, LEU146D, LEU219B, LYS145B, LYS145D, LYS154D, LYS174B, LYS174D, PHE190B, PHE190D, PRO186B, PRO186D, SER142D, SER217B, SER217D, THR143B, THR143D, TYR147B, TYR147D, TYR188B, TYR188D, VAL148B, VAL148D, VAL157D
• C-D: ALA103C, ALA103D, ALA127C, ALA127D, ALA17C, ALA17D, ARG119C, ARG119D, ARG149C, ARG149D, ARG91C, ARG91D, ASN102C, ASN102D, ASN105C, ASN105D, ASN124C, ASN124D, ASN128C, ASN128D, ASN19C, ASN19D, ASN94C, ASN94D, ASP106C, ASP106D, ASP121C, ASP121D, ASP150C, ASP150D, ASP156C, ASP156D, ASP172D, ASP97C, ASP97D, CYS101C, CYS101D, GLU117C, GLU117D, GLU15C, GLU15D, GLU90C, GLU90D, GLY122C, GLY122D, GLY129C, GLY155C, GLY155D, GLY16C, GLY16D, GLY20C, GLY20D, GLY98C, GLY98D, GLY99C, GLY99D, HIS21C, HIS21D, ILE100C, ILE100D, LYS154C, LYS154D, LYS174C, LYS174D, LYS178C, LYS178D, LYS180C, LYS180D, MET132C, MET132D, MET93C, MET93D, PHE120C, PHE120D, PHE125C, PHE125D, PHE173C, PHE173D, PRO126C, PRO126D, PRO22C, PRO22D, SER88C, SER88D, SER92C, SER92D, THR104C, THR104D, THR175C, THR175D, THR176C, THR176D, TRP89C, TRP89D, TYR177C, TYR177D, VAL123C, VAL123D, VAL152C, VAL152D, VAL18C, VAL18D