2A5K

crystal structures of sars coronavirus main peptidase inhibited by an aza-peptide epoxide in space group p212121

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 134
  • Norm. En. per Res.: -3.538
• 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	-142.3303	22.2572	-354.014	-474.0871	134	21	6	12948	3	19	22

Interface residues

• A-B: ALA116A, ALA116B, ALA129A, ALA129B, ALA7A, ALA7B, ARG131A, ARG131B, ARG298A, ARG298B, ARG4A, ARG4B, ASN119B, ASN142A, ASN142B, ASN214A, ASN214B, ASN28B, CYS117A, CYS117B, CYS128A, CYS128B, CYS300A, CYS300B, GLN127A, GLN127B, GLN299A, GLN299B, GLU14A, GLU14B, GLU166A, GLU166B, GLU288A, GLU288B, GLU290A, GLU290B, GLY11A, GLY11B, GLY120B, GLY124A, GLY124B, GLY138A, GLY138B, GLY15A, GLY15B, GLY170A, GLY170B, GLY283A, GLY283B, GLY2A, GLY2B, GLY302A, HIS172A, HIS172B, ILE136A, ILE136B, ILE152A, ILE152B, ILE213A, ILE213B, ILE286A, ILE286B, LEU115A, LEU115B, LEU141A, LEU141B, LEU167A, LEU167B, LEU282A, LYS12A, LYS12B, LYS137A, LYS137B, LYS5A, LYS5B, MET130A, MET6A, MET6B, PHE112B, PHE140A, PHE140B, PHE150A, PHE150B, PHE3A, PHE3B, PHE8A, PHE8B, PRO122A, PRO122B, PRO168A, PRO168B, PRO9A, PRO9B, SER10A, SER10B, SER113A, SER113B, SER121A, SER121B, SER123A, SER123B, SER139A, SER139B, SER144B, SER1A, SER1B, SER284A, SER284B, SER301A, THR111A, THR169A, THR169B, THR280A, THR280B, THR285A, THR285B, THR304A, TYR118A, TYR118B, TYR126A, TYR126B, VAL114A, VAL114B, VAL125A, VAL125B, VAL13A, VAL13B, VAL171A, VAL171B, VAL296A, VAL296B, VAL297A, VAL297B, VAL303A