2Q6F

crystal structure of infectious bronchitis virus (ibv) main protease in complex with a michael acceptor inhibitor n3

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 139
  • Norm. En. per Res.: -3.1635
• 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	-105.1214	11.6635	-346.274	-439.7319	139	18	11	13922	1	17	22

Interface residues

• A-B: ALA113A, ALA113B, ALA12A, ALA12B, ALA136A, ALA136B, ALA140A, ALA140B, ALA168A, ALA168B, ARG129A, ARG135A, ARG135B, ASN167A, ASN167B, ASN287A, ASN287B, ASN299A, ASN299B, CYS114A, CYS114B, GLN285A, GLN285B, GLN300A, GLN300B, GLN68A, GLN68B, GLU14A, GLU14B, GLU164A, GLU164B, GLU289A, GLU289B, GLU291A, GLU291B, GLU95A, GLY122A, GLY122B, GLY284A, GLY284B, GLY2A, GLY2B, GLY302B, HIS161A, HIS170A, HIS170B, ILE112A, ILE112B, ILE121A, ILE121B, ILE134A, ILE134B, ILE150A, ILE150B, ILE17A, ILE17B, ILE282A, ILE282B, LEU123A, LEU123B, LEU139A, LEU139B, LEU165B, LEU169A, LEU169B, LEU283A, LEU283B, LEU6A, LEU6B, LYS15A, LYS15B, LYS4A, LYS4B, LYS5A, LYS5B, PHE110A, PHE110B, PHE138A, PHE138B, PHE148A, PHE148B, PHE288A, PHE288B, PHE298A, PHE298B, PHE3A, PHE3B, PRO125A, PRO125B, PRO166B, PRO281A, PRO281B, PRO9A, PRO9B, SER109A, SER10A, SER10B, SER115A, SER115B, SER11A, SER11B, SER137A, SER137B, SER1A, SER1B, SER212A, SER212B, SER296A, SER296B, SER8A, SER8B, THR111A, THR111B, THR119A, THR119B, THR127A, THR127B, TRP277A, TRP277B, TYR116A, TYR116B, TYR124A, TYR124B, TYR286A, TYR286B, VAL120A, VAL120B, VAL126A, VAL126B, VAL13A, VAL13B, VAL213A, VAL213B, VAL297A, VAL297B, VAL301A, VAL301B, VAL7A, VAL7B