3APR

binding of a reduced peptide inhibitor to the aspartic proteinase from rhizopus chinensis. implications for a mechanism of action

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: E-I
  • Int. Res.: 63
  • Norm. En. per Res.: -2.5358
• Hub Node: E(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
E-I	-32.8371	-11.5485	-115.37	-159.7556	63	5	4	4783	1	8	0

Interface residues

• E-I: ALA287E, ARG192E, ASN119E, ASP14E, ASP218E, ASP245E, ASP301E, ASP33E, ASP35E, ASP40E, ASP79E, GLU16E, GLU279E, GLY117E, GLY124E, GLY126E, GLY193E, GLY220E, GLY246E, GLY290E, GLY292E, GLY300E, GLY37E, GLY78E, GLY80E, HIS4I, ILE130E, ILE15E, ILE216E, ILE225E, ILE286E, ILE298E, ILE75E, LEU122E, LEU223E, PHE114E, PHE278E, PHE296E, PHE3I, PRO118E, PRO2I, SER113E, SER116E, SER38E, SER39E, SER74E, SER76E, SER81E, THR131E, THR132E, THR219E, THR221E, THR222E, THR247E, THR36E, TRP194E, TRP294E, TYR11E, TYR17E, TYR18E, TYR291E, TYR77E, VAL6I