3BC3

exploring inhibitor binding at the s subsites of cathepsin l

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 87
  • Norm. En. per Res.: 0.3376
• 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	-23.76	146.9384	-93.8046	29.3739	87	2	0	4385	0	32	29

Interface residues

• A-B: ALA135A, ALA214A, ALA215A, ARG44B, ARG8B, ASN18B, ASN62A, ASN66A, ASP114A, ASP155A, ASP160A, ASP162A, ASP6B, ASP71A, ASP79A, CYS65A, CYS98A, GLN60A, GLN75A, GLN78A, GLU148B, GLU159A, GLU173B, GLU191B, GLU192B, GLU63A, GLU86B, GLU87B, GLU9B, GLY11B, GLY149B, GLY169B, GLY171B, GLY190B, GLY194B, GLY196B, GLY197B, GLY58A, GLY61A, GLY64A, GLY67A, GLY68A, ILE115A, ILE150B, ILE46B, LEU184B, LEU45B, LEU48B, LEU69A, LYS10B, LYS117A, LYS147B, LYS17B, LYS200B, MET161A, MET195B, PHE112A, PHE172B, PHE39B, PRO116A, PRO15B, PRO59A, SER157A, SER158A, SER174B, SER213A, SER216A, SER47B, SER4B, SER57A, SER85B, SER88B, SER97A, THR14B, TRP193B, TRP7B, TYR146B, TYR170B, TYR182B, TYR198B, TYR72A, VAL106B, VAL113A, VAL13B, VAL16B, VAL199B, VAL5B