1XXA

c-terminal domain of escherichia coli arginine repressor/ l- arginine complex; pb derivative

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 60
  • Norm. En. per Res.: -3.1341
• Hub Node: A(4)

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	-6.3808	-6.768	-127.597	-140.7458	59	7	6	5526	2	9	10
A-C	-11.01	-4.8968	-123.085	-138.9918	57	2	6	5216	2	7	9
A-D	-15.3595	0.0	-76.6271	-91.9866	38	4	4	3314	0	4	7
A-F	0.0	27.0269	-3.1644	23.8625	6	0	0	79	0	0	4
B-C	-31.0525	-21.8666	-135.125	-188.0441	60	9	5	5644	3	8	10
B-E	0.0	18.1801	-1.484	16.6961	6	0	0	73	0	0	4
B-F	-4.6792	0.0	-70.7978	-75.477	38	3	3	3411	0	4	6
C-D	0.0	19.7818	-1.8556	17.9262	6	0	0	85	0	0	4
C-E	-6.6222	0.0	-97.0264	-103.6486	39	6	4	4208	0	4	5
D-E	-20.6379	-8.0109	-147.48	-176.1288	59	7	5	5831	2	8	10
D-F	-3.132	-7.3636	-139.992	-150.4876	60	4	6	5828	2	9	11
E-F	-10.4025	-0.6301	-119.604	-130.6366	58	9	6	5240	0	7	10

Interface residues

• A-B: ALA105A, ALA109A, ALA109B, ALA126A, ALA126B, ALA136B, ALA94A, ALA94B, ARG110B, ASN137B, ASN92A, ASP113B, ASP128A, ASP129A, ASP88A, ASP90A, ASP93A, ASP93B, GLN106A, GLN106B, GLY116B, GLY120B, GLY123B, GLY127A, GLY127B, GLY138B, HIS99A, ILE121B, ILE125A, ILE125B, ILE131A, ILE131B, ILE89A, ILE98A, LEU115B, LEU122B, LEU144B, LEU87A, LYS117B, PHE132A, PHE132B, PHE139B, PRO135B, THR124A, THR124B, THR130A, THR133A, THR133B, THR134A, THR134B, THR140B, TYR91A, VAL141A, VAL141B, VAL95A, VAL95B, VAL96A, VAL96B, VAL97A
• A-C: ALA105C, ALA109A, ALA126A, ALA126C, ALA136A, ALA94A, ALA94C, ARG110A, ASN137A, ASN92A, ASN92C, ASP113A, ASP128C, ASP129C, ASP88C, ASP90C, ASP93A, ASP93C, GLN106A, GLN106C, GLY116A, GLY123A, GLY127A, GLY127C, GLY138A, HIS99C, ILE121A, ILE125A, ILE125C, ILE131A, ILE131C, ILE89C, ILE98C, LEU122A, LEU144A, LEU87C, LYS117A, PHE132A, PHE132C, PHE139A, PRO102C, PRO135A, THR124A, THR124C, THR130C, THR133A, THR133C, THR134A, THR134C, TYR91C, VAL141A, VAL141C, VAL95A, VAL95C, VAL96A, VAL96C, VAL97C
• A-D: ALA104A, ALA104D, ALA105A, ALA105D, ALA109A, ALA109D, ARG110A, ARG110D, ASN84A, ASN84D, ASP128A, ASP128D, ASP129A, ASP129D, GLN106A, GLN106D, GLY103A, GLY103D, GLY127A, GLY127D, ILE108A, ILE108D, LEU107A, LEU107D, LEU82A, LEU82D, LEU85A, LEU85D, LEU87A, LEU87D, LYS83A, LYS83D, PRO102A, PRO102D, SER101A, SER101D, THR100A, THR100D
• A-F: ASP128A, ASP128F, GLY103A, GLY103F, PRO102A, PRO102F
• B-C: ALA105B, ALA109B, ALA109C, ALA126B, ALA126C, ALA136C, ALA94B, ALA94C, ARG110C, ASN137C, ASN92B, ASP113C, ASP128B, ASP129B, ASP88B, ASP90B, ASP93B, ASP93C, GLN106B, GLN106C, GLY116C, GLY123C, GLY127B, GLY127C, GLY138C, HIS99B, ILE121C, ILE125B, ILE125C, ILE131B, ILE131C, ILE89B, ILE98B, LEU122C, LEU144C, LEU87B, LYS117C, LYS142B, PHE132B, PHE132C, PHE139C, PRO102B, PRO135C, THR124B, THR124C, THR130B, THR133B, THR133C, THR134B, THR134C, THR140C, TYR91B, VAL141B, VAL141C, VAL95B, VAL95C, VAL96B, VAL96C, VAL97B, VAL97C
• B-E: ASP128B, ASP128E, GLY103B, GLY103E, PRO102B, PRO102E
• B-F: ALA104B, ALA104F, ALA105B, ALA105F, ALA109B, ALA109F, ARG110B, ARG110F, ASN84B, ASN84F, ASP128B, ASP128F, ASP129B, ASP129F, GLN106B, GLN106F, GLY103B, GLY103F, GLY127B, GLY127F, ILE108B, ILE108F, LEU107B, LEU107F, LEU111F, LEU82B, LEU82F, LEU85B, LEU85F, LEU87F, LYS83F, PRO102B, PRO102F, PRO81B, SER101B, SER101F, THR100B, THR100F
• C-D: ASP128C, ASP128D, GLY103C, GLY103D, PRO102C, PRO102D
• C-E: ALA104C, ALA104E, ALA105C, ALA105E, ALA109C, ALA109E, ARG110C, ARG110E, ASN84C, ASN84E, ASP128C, ASP128E, ASP129E, GLN106C, GLN106E, GLY103C, GLY103E, GLY127C, GLY127E, ILE108C, ILE108E, LEU107C, LEU107E, LEU82C, LEU82E, LEU85C, LEU85E, LEU87C, LEU87E, LYS83C, LYS83E, PRO102C, PRO102E, PRO81C, SER101C, SER101E, THR100C, THR100E, VAL86E
• D-E: ALA105D, ALA109D, ALA109E, ALA126D, ALA126E, ALA136E, ALA94D, ALA94E, ARG110E, ASN137E, ASN92D, ASP113E, ASP128D, ASP129D, ASP88D, ASP90D, ASP93D, ASP93E, GLN106D, GLN106E, GLY116E, GLY120E, GLY123E, GLY127D, GLY127E, GLY138E, HIS99D, ILE121E, ILE125D, ILE125E, ILE131D, ILE131E, ILE89D, ILE98D, LEU122E, LEU144E, LYS117E, LYS142D, PHE132D, PHE132E, PHE139E, PRO135E, THR124D, THR124E, THR130D, THR133D, THR133E, THR134D, THR134E, THR140E, TYR145D, TYR91D, VAL141D, VAL141E, VAL95D, VAL95E, VAL96D, VAL96E, VAL97D
• D-F: ALA105F, ALA109D, ALA109F, ALA126D, ALA126F, ALA136D, ALA94D, ALA94F, ARG110D, ASN137D, ASN92F, ASP113D, ASP128F, ASP129F, ASP88F, ASP90F, ASP93D, ASP93F, GLN106D, GLN106F, GLY116D, GLY120D, GLY123D, GLY127D, GLY127F, GLY138D, HIS99F, ILE121D, ILE125D, ILE125F, ILE131D, ILE131F, ILE89F, ILE98F, LEU115D, LEU122D, LEU144D, LEU87F, LYS117D, PHE132D, PHE132F, PHE139D, PRO135D, THR124D, THR124F, THR130F, THR133D, THR133F, THR134D, THR134F, THR140D, TYR145F, TYR91F, VAL141D, VAL141F, VAL95D, VAL95F, VAL96D, VAL96F, VAL97F
• E-F: ALA105E, ALA109E, ALA109F, ALA126E, ALA126F, ALA136F, ALA94E, ALA94F, ARG110F, ASN137F, ASN92E, ASP113F, ASP128E, ASP129E, ASP88E, ASP90E, ASP93E, ASP93F, GLN106E, GLN106F, GLY116F, GLY123F, GLY127E, GLY127F, GLY138F, HIS99E, ILE121F, ILE125E, ILE125F, ILE131E, ILE131F, ILE89E, ILE98E, LEU122F, LEU144F, LYS117F, PHE132E, PHE132F, PHE139F, PRO102E, PRO135F, THR124E, THR124F, THR130E, THR133E, THR133F, THR134E, THR134F, THR140F, TYR91E, VAL141E, VAL141F, VAL95E, VAL95F, VAL96E, VAL96F, VAL97E, VAL97F