1OEX

atomic resolution structure of endothiapepsin in complex with a hydroxyethylene transition state analogue inhibitor h261

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 73
  • Norm. En. per Res.: -2.9979
• 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	-50.9205	-14.471	-153.456	-218.8476	73	7	6	5504	0	12	1

Interface residues

• A-B: ALA128A, ALA16A, ALA404B, ASN133A, ASP118A, ASP11A, ASP14A, ASP15A, ASP218A, ASP306A, ASP33A, ASP35A, ASP40A, ASP80A, GLN139A, GLN191A, GLN294A, GLU117A, GLY192A, GLY220A, GLY280A, GLY291A, GLY292A, GLY298A, GLY305A, GLY37A, GLY79A, GLY81A, HIS401B, HIS407B, ILE10A, ILE121A, ILE18A, ILE216A, ILE282A, ILE299A, ILE301A, ILE303A, ILE406B, ILE76A, LEU124A, LEU132A, LEU13A, LEU223A, PHE115A, PHE129A, PHE193A, PHE279A, PHE290A, PHE403B, PRO281A, PRO402B, SER114A, SER12A, SER283A, SER38A, SER39A, SER75A, SER77A, SER82A, SER83A, THR120A, THR131A, THR134A, THR219A, THR221A, THR222A, THR284A, THR36A, TYR17A, TYR225A, TYR78A, VAL307A