3Q1E

crystal structure of y116t/i16a double mutant of 5-hydroxyisourate hydrolase in complex with t4

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 89
  • Norm. En. per Res.: -4.2445
• 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	-95.654	9.3206	-291.427	-377.7604	89	12	8	10602	0	8	6
A-C	0.0	0.0	-43.4119	-43.4119	45	0	0	2753	0	8	12
A-D	0.0	0.0	-73.4093	-73.4093	37	0	3	2876	0	2	2
B-C	-2.8887	0.0	-77.8645	-80.7532	38	0	4	2849	0	2	2
B-D	-6.5946	0.0	-38.0746	-44.6692	44	0	0	2420	0	8	10
C-D	-85.2646	6.0977	-287.473	-366.6399	87	12	8	10709	0	8	6

Interface residues

• A-B: ARG110A, ARG110B, ARG117A, ARG117B, ARG70A, ARG70B, ASN97A, ASN97B, CYS84A, CYS84B, GLN100A, GLN100B, GLU90A, GLU90B, GLY118A, GLY118B, GLY65A, GLY65B, HIS101A, HIS103A, HIS103B, ILE91A, ILE91B, ILE95A, ILE95B, LEU106A, LEU106B, LEU107A, LEU107B, LEU108A, LEU108B, LEU32A, LEU32B, LEU9A, LEU9B, LYS68A, LYS68B, PHE111A, PHE111B, PHE62A, PHE62B, PHE71B, PHE85A, PHE85B, PHE93A, PHE93B, PRO105A, PRO105B, PRO87A, PRO87B, SER109A, SER109B, SER112A, SER112B, SER114A, SER114B, SER37A, THR115A, THR115B, THR116A, THR116B, THR73A, THR73B, THR83A, THR83B, THR94A, THR94B, THR96A, THR96B, TRP39A, TRP39B, TYR102A, TYR102B, TYR113A, TYR113B, TYR67A, TYR67B, TYR86A, TYR86B, TYR88A, TYR88B, VAL104A, VAL104B, VAL66A, VAL66B, VAL89A, VAL89B, VAL92A, VAL92B
• A-C: ALA16A, ALA16C, ALA17A, ALA17C, ARG117A, ARG117C, ARG52A, ARG52C, ASN15A, ASN15C, ASP49A, ASP50A, ASP50C, GLN100A, GLN100C, GLN18A, GLN18C, GLY118A, GLY118C, GLY19A, GLY19C, HIS103A, HIS103C, HIS12A, HIS12C, LEU107A, LEU107C, LEU108A, LEU108C, LEU14A, LEU14C, PRO105A, PRO105C, PRO21A, PRO21C, SER114A, SER114C, SER119A, SER119C, THR115A, THR115C, THR116A, THR116C, VAL20A, VAL20C
• A-D: ALA16A, ALA16D, ALA17A, ALA17D, ARG110A, ARG110D, ASN15A, ASN15D, GLN18A, GLN18D, GLU82D, GLY19A, GLY19D, LEU107A, LEU107D, LEU108A, LEU108D, LEU14A, LEU14D, PHE111A, PHE111D, PHE85A, PHE85D, SER109A, SER109D, SER112A, SER112D, SER114A, SER114D, TRP77A, TRP77D, TYR113A, TYR113D, TYR86A, TYR86D, VAL20A, VAL20D
• B-C: ALA16B, ALA16C, ALA17B, ALA17C, ARG110B, ARG110C, ASN15B, ASN15C, GLN18B, GLN18C, GLU82B, GLU82C, GLY19B, GLY19C, LEU107B, LEU107C, LEU108B, LEU108C, LEU14B, LEU14C, PHE111B, PHE111C, PHE85B, PHE85C, SER109B, SER109C, SER112B, SER112C, SER114B, SER114C, TRP77B, TRP77C, TYR113B, TYR113C, TYR86B, TYR86C, VAL20B, VAL20C
• B-D: ALA16B, ALA16D, ALA17B, ALA17D, ARG117B, ARG117D, ARG52B, ARG52D, ASN15B, ASN15D, ASP49B, ASP50B, ASP50D, GLN100B, GLN100D, GLN18B, GLN18D, GLY118B, GLY118D, GLY19B, GLY19D, HIS103B, HIS103D, HIS12B, HIS12D, LEU107B, LEU107D, LEU108B, LEU14B, LEU14D, PRO105B, PRO105D, PRO21B, PRO21D, SER114B, SER114D, SER119B, SER119D, THR115B, THR115D, THR116B, THR116D, VAL20B, VAL20D
• C-D: ARG110C, ARG110D, ARG117C, ARG117D, ARG70C, ARG70D, ASN97C, ASN97D, CYS84C, CYS84D, GLN100C, GLU90C, GLU90D, GLY118C, GLY118D, GLY65C, GLY65D, GLY74D, HIS103C, HIS103D, ILE91C, ILE91D, ILE95C, ILE95D, LEU106C, LEU106D, LEU107C, LEU107D, LEU32C, LEU32D, LEU9C, LEU9D, LYS68C, LYS68D, PHE111C, PHE111D, PHE62C, PHE62D, PHE71C, PHE71D, PHE85C, PHE85D, PHE93C, PHE93D, PRO105C, PRO105D, PRO87C, PRO87D, SER109C, SER109D, SER112C, SER112D, SER114C, SER114D, SER37D, THR115C, THR115D, THR116C, THR116D, THR73C, THR73D, THR83C, THR83D, THR94C, THR94D, THR96C, THR96D, TRP39C, TRP39D, TYR102C, TYR102D, TYR113C, TYR113D, TYR67C, TYR67D, TYR86C, TYR86D, TYR88C, TYR88D, VAL104C, VAL104D, VAL66C, VAL66D, VAL89C, VAL89D, VAL92C, VAL92D