1TMH

modular mutagenesis of a tim-barrel enzyme: the crystal structure of a chimeric e. coli tim having the eighth (beta-alpha)-unit replaced by the equivalent unit of chicken tim

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 140
  • Norm. En. per Res.: -6.1268
• Hub Node: A(2)

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	-156.4981	-146.4199	-556.181	-859.0989	141	43	4	19168	6	52	54
A-D	-7.008	33.1208	-54.134	-28.0213	33	0	1	1848	2	9	8
B-D	0.0	0.0	-3.3085	-3.3085	16	0	0	354	0	4	3
C-D	-170.6388	-128.7852	-558.333	-857.757	140	36	5	19151	6	51	51

Interface residues

• A-B: ALA43A, ALA43B, ALA52A, ALA52B, ALA65A, ALA65B, ALA75A, ALA75B, ALA82A, ALA82B, ALA83A, ALA83B, ALA90A, ALA90B, ARG100A, ARG100B, ARG101A, ARG101B, ARG18A, ARG18B, ARG54A, ARG54B, ASN11A, ASN11B, ASN15A, ASN15B, ASN67A, ASN67B, ASN71A, ASN71B, ASP50A, ASP50B, ASP69A, ASP69B, ASP87A, ASP87B, CYS128A, CYS128B, GLN66A, GLN66B, GLU106A, GLU106B, GLU169A, GLU169B, GLU46A, GLU46B, GLU79A, GLU79B, GLU99A, GLU99B, GLY16A, GLY16B, GLY175A, GLY175B, GLY235A, GLY236B, GLY74A, GLY74B, GLY78A, GLY78B, GLY89A, GLY89B, GLY96A, GLY96B, HIS104A, HIS104B, HIS19A, HIS19B, HIS97A, HIS97B, ILE174A, ILE174B, ILE49A, ILE49B, ILE88A, ILE88B, ILE93A, ILE94A, ILE94B, ILE95A, ILE95B, LEU110A, LEU110B, LEU14A, LEU14B, LEU233A, LEU233B, LEU239A, LEU239B, LEU63A, LEU63B, LEU70A, LEU70B, LEU72A, LEU72B, LEU85A, LEU85B, LYS114A, LYS114B, LYS13A, LYS13B, LYS53A, LYS53B, LYS86A, LYS86B, MET20A, MET20B, MET47A, MET47B, MET51A, MET51B, MET84A, MET84B, MET9A, PHE76A, PHE76B, PRO45A, PRO45B, SER17A, SER17B, SER73A, SER73B, SER81A, SER81B, SER98A, SER98B, THR102A, THR77A, THR77B, THR80A, THR80B, TRP12A, TRP12B, TYR103A, TYR103B, TYR48A, TYR48B, VAL21A, VAL21B, VAL68A, VAL68B
• A-D: ALA217D, ALA220D, ALA221D, ALA250D, ALA253D, ALA83A, ASN216D, ASN219D, ASN249D, ASN71A, ASP246D, ASP87A, GLN121A, GLU120A, GLU222D, GLU243D, GLU252D, GLY122A, GLY74A, ILE247D, LEU118A, LEU123A, LEU72A, LYS119A, LYS240D, LYS86A, MET84A, PHE244D, PRO241D, SER218D, SER73A, VAL117A, VAL245D
• B-D: ALA225D, ALA253D, ALA254D, ALA257D, ASN15B, GLN256D, GLU23B, GLY16B, HIS19B, LEU14B, LEU239B, LEU24B, LYS240B, MET20B, PRO241B, SER17B
• C-D: ALA43C, ALA43D, ALA65C, ALA65D, ALA75C, ALA75D, ALA82C, ALA82D, ALA83C, ALA83D, ALA90C, ALA90D, ARG100C, ARG100D, ARG101C, ARG101D, ARG18C, ARG18D, ARG54C, ARG54D, ASN11C, ASN11D, ASN15C, ASN15D, ASN67C, ASN67D, ASN71C, ASN71D, ASP50C, ASP50D, ASP69C, ASP69D, ASP87C, ASP87D, CYS128C, CYS128D, GLN66C, GLN66D, GLU106C, GLU169C, GLU169D, GLU46C, GLU46D, GLU79C, GLU79D, GLU99C, GLU99D, GLY16C, GLY16D, GLY175C, GLY175D, GLY235C, GLY235D, GLY236C, GLY236D, GLY74C, GLY74D, GLY78C, GLY78D, GLY89C, GLY89D, GLY96C, GLY96D, HIS104C, HIS104D, HIS19C, HIS19D, HIS97C, HIS97D, ILE174C, ILE174D, ILE49C, ILE49D, ILE88C, ILE88D, ILE93C, ILE94C, ILE94D, ILE95C, ILE95D, LEU110C, LEU110D, LEU14C, LEU14D, LEU233C, LEU233D, LEU239C, LEU239D, LEU63C, LEU63D, LEU70C, LEU70D, LEU72C, LEU72D, LEU85C, LEU85D, LYS114C, LYS114D, LYS13C, LYS13D, LYS53C, LYS53D, LYS86C, LYS86D, MET20C, MET20D, MET47C, MET47D, MET51C, MET51D, MET84C, MET84D, PHE76C, PHE76D, PRO44C, PRO44D, PRO45C, PRO45D, SER17C, SER17D, SER73C, SER73D, SER81C, SER81D, SER98C, SER98D, THR77C, THR77D, THR80C, THR80D, TRP12C, TRP12D, TYR103C, TYR103D, TYR48C, TYR48D, VAL21C, VAL21D, VAL68C, VAL68D