3ZUL

padron on (fluorescent) icis intermediate state

• Total interactions analyzed: 15
• Total true interactions: 11
• Strongest Interaction:
  • Chains: C-E
  • Int. Res.: 102
  • Norm. En. per Res.: -2.8039
• 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	-45.6193	3.06	-225.839	-268.3982	104	7	0	9358	0	28	24
A-C	0.0	15.5383	-1.3697	14.1686	11	0	0	213	0	7	7
A-F	0.0	0.0	-0.2658	-0.2658	6	0	0	33	0	7	6
B-C	-25.8766	-11.2397	-84.8453	-121.9616	48	3	0	3172	1	11	13
B-D	0.0	0.0	-0.2279	-0.2279	9	0	0	47	0	9	6
B-E	0.0	-20.3905	-7.097	-27.4874	17	0	0	445	1	27	20
C-E	-49.4038	0.6038	-237.193	-285.993	102	8	0	9361	0	30	24
C-F	-17.2207	-13.0636	-74.2653	-104.5496	42	10	0	3051	2	16	22
D-E	0.0	-1.8044	-0.9528	-2.7573	13	0	0	215	0	3	4
D-F	-53.1614	3.3735	-229.432	-279.2199	101	10	0	9336	0	30	24
E-F	0.0	0.0	-2.5082	-2.5082	5	0	0	73	0	0	0

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, ASP106A, ASP106B, ASP121A, ASP121B, ASP150A, ASP150B, ASP156A, ASP156B, ASP172A, ASP172B, ASP97A, ASP97B, CYS101A, CYS101B, GLU117A, GLU117B, GLU15A, GLU15B, GLU90A, GLU90B, GLY122A, GLY122B, GLY129B, GLY151B, GLY16A, GLY16B, GLY20A, GLY20B, GLY98A, GLY98B, GLY99A, GLY99B, HIS21A, HIS21B, ILE100A, ILE100B, ILE94A, ILE94B, LYS154A, LYS154B, LYS174A, LYS174B, LYS178A, LYS178B, LYS180A, LYS180B, MET132A, MET132B, MET93A, MET93B, PHE120A, PHE120B, PHE125A, PHE125B, PHE173A, PHE173B, PRO126A, PRO126B, PRO22A, PRO22B, SER155A, SER155B, SER88A, SER88B, SER92A, SER92B, THR104A, THR104B, THR175A, THR175B, THR176A, THR176B, TRP89A, TRP89B, TYR177A, TYR177B, VAL123A, VAL123B, VAL152A, VAL152B, VAL18A, VAL18B
• A-C: ASN206C, ASP150A, ASP201C, ASP203C, ASP41C, GLY151A, LYS202C, LYS43C, SER205C, VAL182A, VAL28C
• A-F: ASN206F, ASP110A, GLY111A, LYS43F, LYS45F, PRO84A
• B-C: ALA127B, ALA17C, ALA24C, ARG119C, ARG135B, ARG13C, ASN128B, ASN206C, ASP201C, ASP203B, ASP203C, GLN133B, GLU15C, GLU164B, GLU46C, GLY129B, GLY165B, GLY166B, GLY16C, GLY20C, GLY47C, GLY48C, HIS21B, HIS21C, ILE25C, LEU163B, LEU50B, LEU50C, LYS134B, LYS134C, LYS202B, LYS202C, LYS43C, LYS45C, MET132B, PHE23C, PHE52B, PHE52C, PRO130B, PRO22C, PRO49B, PRO49C, PRO51B, PRO51C, SER205C, VAL131B, VAL137B, VAL44C
• B-D: ASN206B, ASP110D, GLU85D, GLY111D, LEU109D, LYS43B, LYS45B, PRO84D, VAL3D
• B-E: ARG119E, ARG13E, ASP110E, ASP201B, GLU117E, GLU15E, GLU196B, GLY111E, HIS200B, ILE115E, LYS11E, LYS180E, LYS198B, LYS202B, SER199B, THR108E, VAL137B
• C-E: ALA103C, ALA103E, ALA127C, ALA127E, ALA17C, ALA17E, ARG119C, ARG119E, ARG149C, ARG149E, ARG91C, ARG91E, ASN102C, ASN102E, ASN105C, ASN105E, ASN124C, ASN124E, ASN128C, ASN128E, ASN19C, ASN19E, ASP106C, ASP106E, ASP121C, ASP121E, ASP150C, ASP150E, ASP156E, ASP172C, ASP172E, ASP97C, ASP97E, CYS101C, CYS101E, GLU117C, GLU117E, GLU15C, GLU15E, GLU90C, GLU90E, GLY122C, GLY122E, GLY151E, GLY16C, GLY16E, GLY20C, GLY20E, GLY98C, GLY98E, GLY99C, GLY99E, HIS21C, HIS21E, ILE100C, ILE100E, ILE94C, ILE94E, LYS154C, LYS154E, LYS174C, LYS174E, LYS178C, LYS178E, LYS180C, LYS180E, MET132C, MET132E, MET93C, MET93E, PHE120C, PHE120E, PHE125C, PHE125E, PHE173C, PHE173E, PRO126C, PRO126E, PRO22C, PRO22E, SER155C, SER155E, SER88C, SER88E, SER92C, SER92E, THR104C, THR104E, THR175C, THR175E, THR176C, THR176E, TRP89C, TRP89E, TYR177C, TYR177E, VAL123C, VAL123E, VAL152C, VAL152E, VAL18C, VAL18E
• C-F: ALA53F, ARG135F, ASN128F, ASP110C, ASP112C, ASP203F, ASP7C, CYS113C, GLN133F, GLU164F, GLU85C, GLY111C, GLY129F, GLY165F, GLY166F, GLY86C, HIS200F, ILE115C, ILE4C, LEU109C, LEU163F, LEU50F, LYS11C, LYS134F, LYS202F, LYS5C, LYS9C, MET132F, MET8C, PHE52F, PHE83C, PRO130F, PRO49F, PRO51F, PRO84C, SER2C, THR108C, THR136F, TYR204F, VAL131F, VAL137F, VAL3C
• D-E: ASP203E, GLN184D, GLU46E, GLY47E, GLY48E, LEU185D, LYS181D, LYS45E, PRO22E, PRO49E, SER205E, VAL182D, VAL183D
• D-F: ALA103D, ALA103F, ALA127D, ALA127F, ALA17D, ALA17F, ARG119D, ARG119F, ARG149D, ARG149F, ARG91D, ARG91F, ASN102D, ASN102F, ASN105D, ASN105F, ASN124D, ASN124F, ASN128D, ASN128F, ASN19D, ASN19F, ASP106D, ASP106F, ASP121D, ASP121F, ASP150D, ASP150F, ASP156D, ASP172D, ASP172F, ASP97D, ASP97F, CYS101D, CYS101F, GLU117D, GLU117F, GLU15D, GLU15F, GLU90D, GLU90F, GLY122D, GLY122F, GLY16D, GLY16F, GLY20D, GLY20F, GLY98D, GLY98F, GLY99D, GLY99F, HIS21D, HIS21F, ILE100D, ILE100F, ILE94D, ILE94F, LYS154D, LYS154F, LYS174D, LYS174F, LYS178D, LYS178F, LYS180D, LYS180F, MET132D, MET132F, MET93D, MET93F, PHE120D, PHE120F, PHE125D, PHE125F, PHE173D, PHE173F, PRO126D, PRO126F, PRO22D, PRO22F, SER155D, SER155F, SER88D, SER88F, SER92D, SER92F, THR104D, THR104F, THR175D, THR175F, THR176D, THR176F, TRP89D, TRP89F, TYR177D, TYR177F, VAL123D, VAL123F, VAL152D, VAL152F, VAL18D, VAL18F
• E-F: ASP192E, HIS2F, LEU141E, SER142E, THR143E