3Q2D

optimization of the in silico designed kemp eliminase ke70 by computational design and directed evolution

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 77
  • Norm. En. per Res.: -1.4899
• 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	0.0	15.6774	-130.402	-114.7246	77	1	13	5755	0	34	19

Interface residues

• A-B: ALA100A, ALA100B, ALA58A, ALA58B, ALA88A, ALA88B, ALA90A, ALA90B, ALA94A, ALA94B, ALA95A, ALA95B, ALA97A, ALA97B, ARG53A, ARG53B, ARG59A, ARG59B, ARG93A, ARG93B, ASN77A, ASN77B, ASN82A, ASN82B, ASP26A, ASP28A, ASP28B, ASP84A, ASP84B, ASP86A, ASP86B, GLU29A, GLU64A, GLU91A, GLU91B, GLY99A, GLY99B, HIS80A, HIS80B, ILE32A, ILE32B, ILE55A, ILE55B, ILE57A, ILE57B, ILE87A, ILE87B, ILE96A, ILE96B, LEU89A, LEU89B, LYS60A, LYS60B, LYS63A, LYS63B, PHE54A, PHE54B, PHE78A, PRO52A, PRO52B, PRO56A, PRO56B, PRO79A, PRO79B, SER75A, SER75B, THR61A, THR61B, THR74B, THR76A, THR76B, THR92A, THR92B, TYR51A, TYR51B, TYR98A, TYR98B