2IE2

the 1.7 a crystal structure of dronpa: a photoswitchable green fluorescent protein

• Total interactions analyzed: 15
• Total true interactions: 10
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 47
  • Norm. En. per Res.: -3.5723
• Hub Node: C(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	0.0	4.3007	-0.6667	3.6339	6	0	0	78	0	4	5
B-C	-11.0942	0.0	-14.8162	-25.9104	13	1	0	628	0	6	4
B-D	-47.7801	-18.5157	-101.602	-167.8978	47	5	0	3401	1	14	16
B-F	-4.1403	10.9928	-23.2278	-16.3753	27	2	0	1025	0	17	17
C-D	0.0	4.7171	-0.7426	3.9744	6	0	0	84	0	6	6
C-E	-55.3114	30.5999	-217.691	-242.4025	101	7	1	8995	0	26	24
C-F	-68.1813	15.3867	-240.919	-293.7136	92	17	4	9416	11	59	61
D-E	-65.5844	22.7547	-230.517	-273.3467	94	13	4	9226	10	63	63
D-F	-59.8271	31.0101	-233.928	-262.745	106	14	2	9629	0	27	25
E-F	0.0	4.4286	-0.5262	3.9024	6	0	0	63	0	4	6

Interface residues

• A-B: ASP97A, ASP97B, GLU96A, GLU96B, GLY98A, GLY98B
• B-C: ARG135C, ASP201B, GLU164C, GLY165C, GLY166C, GLY167C, HIS168C, HIS200B, LEU163C, LYS202B, PRO130C, SER162C, TYR169C
• B-D: ALA127D, ALA24B, ALA53D, ARG119B, ARG135D, ARG13B, ASN128D, ASN206B, ASP201B, ASP203B, ASP203D, GLN133D, GLU15B, GLU164D, GLU26B, GLU46B, GLY129D, GLY165D, GLY166D, GLY20B, GLY47B, GLY48B, HIS21B, HIS21D, ILE25B, LEU163D, LEU50B, LEU50D, LYS134D, LYS202B, LYS202D, LYS43B, LYS45B, MET132D, PHE23B, PHE52D, PRO126D, PRO130D, PRO22B, PRO49B, PRO49D, PRO51B, PRO51D, SER205B, TYR204B, VAL131D, VAL44B
• B-F: ARG149F, ASN206B, ASN208B, ASP150F, ASP201B, ASP203B, ASP41B, GLY151F, HIS200B, LEU185F, LEU42B, LYS178F, LYS180F, LYS181F, LYS202B, LYS43B, LYS45B, MET40B, PRO49B, SER199B, SER205B, TYR204B, VAL148F, VAL152F, VAL182F, VAL207B, VAL28B
• C-D: ASP97C, ASP97D, GLU96C, GLU96D, GLY98C, GLY98D
• C-E: ALA103C, ALA103E, ALA127C, ALA127E, ALA17C, ALA17E, ARG119C, ARG119E, ARG149C, ARG149E, ARG91C, ARG91E, ASN102C, ASN102E, ASN105C, ASN105E, ASN124C, ASN124E, ASN128C, ASN128E, ASN19C, ASN19E, ASN94C, ASN94E, ASP106C, ASP106E, ASP121C, ASP121E, ASP150C, ASP150E, ASP156C, ASP156E, ASP172E, ASP97C, ASP97E, CYS101C, CYS101E, GLU117C, GLU117E, GLU15C, GLU15E, GLU90C, GLU90E, GLY122C, GLY122E, GLY129C, GLY129E, GLY155C, GLY155E, GLY16C, GLY16E, GLY20C, GLY20E, GLY98C, GLY98E, GLY99C, GLY99E, HIS21C, HIS21E, ILE100C, ILE100E, LYS154C, LYS154E, LYS174C, LYS174E, LYS178C, LYS178E, MET132C, MET132E, MET93C, MET93E, PHE120C, PHE120E, PHE125C, PHE125E, PHE173C, PHE173E, PRO126C, PRO126E, PRO22C, PRO22E, SER88C, SER88E, SER92C, SER92E, THR104C, THR104E, THR175C, THR175E, THR176C, THR176E, TRP89C, TRP89E, TYR177C, TYR177E, VAL123C, VAL123E, VAL152C, VAL152E, VAL18C, VAL18E
• C-F: ALA160C, ALA160F, ARG149C, ARG149F, ARG170C, ARG170F, ASN158C, ASN158F, ASN94C, ASN94F, ASP150C, ASP150F, ASP156C, ASP156F, ASP172C, ASP172F, ASP187C, ASP187F, ASP192C, ASP192F, ASP97C, ASP97F, CYS171C, CYS171F, GLU140C, GLU140F, GLU144C, GLU144F, GLU96C, GLU96F, GLY155C, GLY155F, GLY166C, GLY166F, GLY167C, GLY167F, HIS168C, HIS168F, HIS189C, HIS189F, HIS193C, HIS193F, HIS194C, HIS194F, HIS216C, HIS216F, LEU146C, LEU146F, LEU161C, LEU161F, LEU163C, LEU163F, LYS145C, LYS145F, LYS154C, LYS154F, LYS174C, LYS174F, MET159C, MET159F, PHE173C, PHE173F, PHE190C, PHE190F, PRO130C, PRO130F, PRO141C, PRO141F, PRO186C, PRO186F, SER142C, SER142F, SER162C, SER162F, SER217C, SER217F, THR143C, THR143F, TRP139C, TRP139F, TYR147C, TYR147F, TYR169C, TYR169F, TYR188C, TYR188F, VAL148C, VAL148F, VAL157C, VAL157F, VAL191C, VAL191F
• D-E: ALA160D, ALA160E, ARG149D, ARG149E, ARG170D, ARG170E, ASN158D, ASN158E, ASN94D, ASN94E, ASP150D, ASP150E, ASP156D, ASP156E, ASP172D, ASP172E, ASP187D, ASP187E, ASP192D, ASP192E, ASP97D, ASP97E, CYS171D, CYS171E, GLU140D, GLU140E, GLU144D, GLU144E, GLU218E, GLU96D, GLU96E, GLY155D, GLY155E, GLY166D, GLY166E, GLY167D, GLY167E, HIS168D, HIS168E, HIS189D, HIS189E, HIS193D, HIS193E, HIS194D, HIS194E, HIS212D, HIS216D, HIS216E, LEU146D, LEU146E, LEU161D, LEU161E, LEU163D, LEU163E, LYS145D, LYS145E, LYS154D, LYS154E, LYS174D, LYS174E, MET159D, MET159E, PHE173D, PHE173E, PHE190D, PHE190E, PRO130D, PRO130E, PRO141D, PRO141E, PRO186D, PRO186E, SER142D, SER142E, SER162D, SER162E, SER217D, SER217E, THR143D, THR143E, TRP139D, TRP139E, TYR147D, TYR147E, TYR169D, TYR169E, TYR188D, TYR188E, VAL148D, VAL148E, VAL157D, VAL157E, VAL191D, VAL191E
• D-F: ALA103D, ALA103F, ALA127D, ALA127F, ALA17D, ALA17F, ARG119D, ARG119F, ARG149D, ARG149F, ARG91D, ARG91F, ASN102D, ASN102F, ASN105D, ASN105F, ASN124D, ASN124F, ASN128D, ASN128F, ASN19D, ASN19F, ASN94D, ASN94F, ASP106D, ASP106F, ASP121D, ASP121F, ASP150D, ASP150F, ASP156D, ASP156F, ASP172F, ASP97D, ASP97F, CYS101D, CYS101F, GLN133D, GLU117D, GLU117F, GLU15D, GLU15F, GLU90D, GLU90F, GLY122D, GLY122F, GLY129D, GLY129F, GLY151F, GLY155D, GLY155F, GLY16D, GLY16F, GLY20D, GLY20F, GLY98D, GLY98F, GLY99D, GLY99F, HIS21D, HIS21F, ILE100D, ILE100F, ILE118D, ILE118F, LYS154D, LYS154F, LYS174D, LYS174F, LYS178D, LYS178F, MET132D, MET132F, MET93D, MET93F, PHE120D, PHE120F, PHE125D, PHE125F, PHE173D, PHE173F, PRO126D, PRO126F, PRO22D, PRO22F, SER88D, SER88F, SER92D, SER92F, THR104D, THR104F, THR175D, THR175F, THR176D, THR176F, TRP89D, TRP89F, TYR147D, TYR177D, TYR177F, VAL123D, VAL123F, VAL152D, VAL152F, VAL18D, VAL18F
• E-F: ASP97E, ASP97F, GLU96E, GLU96F, GLY98E, GLY98F