3KWN

cathepsin s in complex with thioether acetamide p3 inhibitor

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 84
  • Norm. En. per Res.: -1.437
• 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	-15.483	4.6979	-109.924	-120.709	84	3	0	4884	2	33	37

Interface residues

• A-B: ALA88A, ALA88B, ALA94A, ALA94B, ARG149B, ARG8A, ARG8B, ASN189A, ASN189B, ASP6A, ASP87A, ASP87B, CYS12A, CYS22B, GLN19A, GLN19B, GLN51B, GLN97B, GLU15A, GLU15B, GLU192A, GLU192B, GLU193A, GLU193B, GLU35A, GLU9A, GLY11A, GLY11B, GLY187A, GLY187B, GLY191B, GLY20A, GLY20B, GLY43A, GLY43B, HIS188A, HIS188B, LEU181A, LEU45A, LEU45B, LYS104B, LYS10A, LYS17A, LYS17B, LYS183A, LYS183B, LYS39A, LYS39B, LYS44A, LYS44B, LYS93A, LYS93B, MET95B, PHE190A, PHE28A, PHE28B, PRO91A, PRO91B, SER150B, SER21B, SER47A, SER47B, SER86B, SER89A, SER89B, THR14A, THR14B, THR42A, TRP186B, TRP7A, TYR105B, TYR18A, TYR18B, TYR195A, TYR195B, TYR90A, TYR90B, TYR92A, TYR92B, VAL13A, VAL16A, VAL16B, VAL46A, VAL46B