1USB

rational design of a novel enzyme - efficient thioester hydrolysis enabled by the incorporation of a single his residue into human glutathione transferase a1-1

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 140
  • Norm. En. per Res.: -3.1282
• Hub Node: A(1)

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	-4.0917	-13.8452	-420.013	-437.9499	140	15	12	16472	2	41	40

Interface residues

• A-B: ALA100A, ALA100B, ALA135A, ALA135B, ALA70A, ALA70B, ALA76A, ALA76B, ALA90A, ALA90B, ARG131A, ARG131B, ARG155A, ARG155B, ARG15A, ARG45A, ARG45B, ARG69A, ARG69B, ARG89A, ARG89B, ASN130A, ASN130B, ASN73A, ASN73B, ASN80A, ASN80B, ASP101A, ASP101B, ASP47A, ASP47B, ASP61A, ASP61B, ASP85A, ASP85B, ASP93A, ASP93B, GLN53A, GLN53B, GLN54A, GLN54B, GLN67A, GLN67B, GLU116B, GLU137A, GLU137B, GLU88A, GLU88B, GLU97A, GLU97B, GLY48A, GLY48B, GLY62A, GLY62B, GLY98A, GLY98B, ILE60A, ILE60B, ILE71A, ILE71B, ILE75A, ILE75B, ILE86A, ILE86B, ILE92A, ILE92B, ILE96A, ILE96B, ILE99A, ILE99B, LEU102A, LEU102B, LEU140A, LEU140B, LEU148A, LEU148B, LEU160A, LEU160B, LEU41A, LEU41B, LEU50A, LEU50B, LEU65A, LEU65B, LEU72A, LEU72B, LEU91A, LEU91B, LYS127A, LYS127B, LYS138A, LYS138B, LYS64A, LYS64B, LYS78A, LYS78B, LYS87A, LYS87B, MET105A, MET105B, MET51A, MET51B, MET57A, MET57B, MET63A, MET63B, MET94A, MET94B, PHE133A, PHE133B, PHE136A, PHE136B, PHE52A, PHE52B, PRO113A, PRO134A, PRO134B, SER77A, SER77B, THR68A, THR68B, TYR132A, TYR132B, TYR49A, TYR49B, TYR74A, TYR74B, TYR79A, TYR79B, TYR82A, TYR82B, TYR95A, TYR95B, VAL139A, VAL139B, VAL55A, VAL55B, VAL58B, VAL66A, VAL66B