3Q76

structure of human neutrophil elastase (uncomplexed)

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 79
  • Norm. En. per Res.: -3.8972
• 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	-61.0697	-3.8606	-242.95	-307.8804	79	7	4	9598	0	13	9

Interface residues

• A-B: ALA56A, ALA56B, ALA60A, ALA60B, ALA64A, ALA64B, ALA84A, ALA84B, ARG36A, ARG63A, ARG63B, ARG65A, ARG87A, ARG87B, ASN101A, ASN101B, ASN109A, ASN109B, ASN61A, ASN61B, ASN62A, ASN62B, ASN91A, ASN91B, ASN99A, ASN99B, ASP95A, ASP95B, GLN107A, GLN107B, GLN86A, GLN86B, GLU90A, GLU90B, GLY92A, GLY92B, HIS57A, HIS57B, ILE105A, ILE105B, ILE241A, ILE241B, ILE88A, ILE88B, LEU100A, LEU100B, LEU106A, LEU106B, LEU35B, LEU99A, LEU99B, PHE234A, PHE234B, PHE51A, PHE51B, PHE89A, PHE89B, PRO98A, PRO98B, SER179A, SER179B, SER240A, SER240B, TRP237A, TRP237B, TYR94A, TYR94B, VAL104A, VAL104B, VAL59A, VAL59B, VAL62A, VAL62B, VAL65A, VAL65B, VAL85A, VAL85B, VAL99A, VAL99B