3HVX

escherichia coli thiol peroxidase (tpx) resolving cysteine to serine mutant (c95s) with an intermolecular disulfide bond

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 50
  • Norm. En. per Res.: -0.7817
• 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	0.0	0.0	639.79	639.79	25	4	1	804	0	5	3
A-D	0.0	24.0611	-63.1461	-39.0851	50	0	17	3370	0	3	20
C-D	0.0	0.0	621.859	621.859	26	5	1	980	0	5	3

Interface residues

• A-B: ALA62A, ALA62B, ALA63A, ALA63B, ARG66A, ARG93A, ARG93B, ASP57B, CYS61A, CYS61B, GLN70A, GLN8B, GLY59A, GLY59B, LYS67A, PHE94B, SER64A, SER64B, THR154B, THR155B, THR58B, VAL60A, VAL60B, VAL65A, VAL65B
• A-D: ALA161A, ALA161D, ALA162A, ALA162D, ALA164A, ALA164D, ALA168A, ALA168D, ALA21A, ALA21D, ARG47A, ARG47D, ASP139A, ASP139D, ASP158A, ASP158D, GLN148A, GLN148D, GLN20A, GLN20D, GLU160A, GLU160D, GLY22A, GLY22D, ILE145A, ILE145D, ILE18A, ILE18D, LEU149A, LEU149D, LEU163A, LEU163D, LEU166A, LEU166D, LYS167A, LYS167D, PHE146A, PHE146D, PRO19A, SER147A, SER147D, SER23D, TYR159A, TYR159D, VAL137A, VAL137D, VAL144A, VAL144D, VAL165A, VAL165D
• C-D: ALA62C, ALA62D, ALA63C, ALA63D, ARG66D, ARG93C, ARG93D, ASP57C, CYS61C, CYS61D, GLN70D, GLN8C, GLU152C, GLU156C, GLY59C, GLY59D, LEU100D, LYS67D, SER64C, SER64D, THR154C, THR155C, THR58C, VAL60C, VAL60D, VAL65D