1ZCP

crystal structure of a catalytic site mutant e. coli trxa (caca)

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 25
  • Norm. En. per Res.: -0.9736
• 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	-50.7814	0.0	1354.76	1303.9786	45	13	8	4202	0	5	3
A-C	0.0	15.9256	-40.2644	-24.3388	25	3	0	1659	0	8	11
B-C	0.0	0.0	-0.0301	-0.0301	6	0	0	18	0	3	1
C-D	-44.8441	0.0	1392.55	1347.7059	45	23	8	4344	0	5	3

Interface residues

• A-B: ALA29A, ALA29B, ALA33A, ALA33B, ALA35A, ALA35B, ALA93A, ALA93B, ARG73A, ARG73B, ASP61B, CYS32A, CYS32B, CYS34A, CYS34B, GLN98A, GLU30A, GLU30B, GLY74A, GLY74B, GLY92A, GLY92B, ILE38A, ILE38B, ILE60A, ILE60B, ILE72A, ILE72B, ILE75A, ILE75B, LEU94A, LEU94B, LYS36A, LYS36B, MET37A, MET37B, PRO76A, PRO76B, SER95A, THR77A, THR77B, TRP31A, TRP31B, VAL91A, VAL91B
• A-C: ALA67A, ASN59A, ASN59C, ASN63A, ASN63C, ASP10C, ASP61A, ASP61C, ASP9A, ASP9C, GLN62A, GLN62C, GLY65A, GLY65C, ILE60A, ILE60C, LEU58C, LYS69A, PRO64A, PRO64C, PRO68A, SER11C, THR66A, THR66C, THR8C
• B-C: ARG73C, ASP61B, LYS69C, PRO64B, PRO68C, TRP31B
• C-D: ALA29C, ALA29D, ALA33C, ALA33D, ALA35C, ALA35D, ALA93C, ALA93D, ARG73C, ARG73D, CYS32C, CYS32D, CYS34C, CYS34D, GLN98D, GLU30C, GLU30D, GLY74C, GLY74D, GLY92C, GLY92D, ILE38C, ILE38D, ILE60C, ILE60D, ILE72C, ILE72D, ILE75C, ILE75D, LEU94C, LEU94D, LYS36C, LYS36D, LYS90D, MET37C, MET37D, PRO76C, PRO76D, SER95D, THR77C, THR77D, TRP31C, TRP31D, VAL91C, VAL91D