2Q6D

crystal structure of infectious bronchitis virus (ibv) main protease

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 153
  • Norm. En. per Res.: -3.7147
• Hub Node: A(2)

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	-151.0594	-6.1851	-411.103	-568.3475	153	33	13	16558	1	20	24
A-C	-31.3863	-32.204	-136.635	-200.2253	59	10	4	5592	1	8	9
B-C	-4.69	21.7621	-68.3308	-51.2587	33	2	1	2182	0	5	5

Interface residues

• A-B: ALA113A, ALA113B, ALA12A, ALA12B, ALA136A, ALA136B, ALA140A, ALA140B, ALA168A, ALA168B, ALA208B, ALA209B, ARG129A, ARG135A, ARG135B, ARG305B, ASN167A, ASN167B, ASN287A, ASN287B, ASN299A, ASN299B, ASP195A, ASP290A, CYS114A, CYS114B, GLN285A, GLN285B, GLN300A, GLN300B, GLN68A, GLN68B, GLU14A, GLU14B, GLU164A, GLU164B, GLU187A, GLU215B, GLU289A, GLU289B, GLU291A, GLU291B, GLU95A, GLU95B, GLY122A, GLY122B, GLY141A, GLY153A, GLY284A, GLY284B, GLY2A, GLY2B, GLY302B, GLY303B, HIS170A, HIS170B, ILE112A, ILE112B, ILE121A, ILE121B, ILE134A, ILE134B, ILE150A, ILE150B, ILE17B, ILE211B, ILE282A, ILE282B, LEU123A, LEU123B, LEU139A, LEU139B, LEU163A, LEU165A, LEU169A, LEU169B, LEU197A, LEU283A, LEU283B, LEU292A, LEU292B, LEU6A, LEU6B, LYS15A, LYS15B, LYS4A, LYS4B, LYS5A, LYS5B, PHE110B, PHE138A, PHE138B, PHE148A, PHE148B, PHE288A, PHE288B, PHE298A, PHE298B, PHE3A, PHE3B, PRO125A, PRO125B, PRO166A, PRO281A, PRO281B, PRO9A, PRO9B, SER0B, SER10A, SER10B, SER11A, SER11B, SER137A, SER137B, SER1A, SER1B, SER212A, SER212B, SER216B, SER296A, SER296B, SER8A, SER8B, THR111A, THR111B, THR119A, THR119B, THR127A, THR127B, TRP205A, TRP277A, TRP277B, TYR116A, TYR116B, TYR124A, TYR124B, TYR286A, TYR286B, VAL120A, VAL120B, VAL126A, VAL126B, VAL13A, VAL13B, VAL213A, VAL213B, VAL297A, VAL297B, VAL301A, VAL301B, VAL304B, VAL7A, VAL7B
• A-C: ALA140A, ALA142A, ALA189A, ALA251C, ARG191A, ARG305C, ARG40A, ASN167A, ASN26A, ASN299C, ASP185A, ASP49A, ASP53A, CYS143A, GLN190A, GLN300C, GLN307C, GLN50A, GLU164A, GLU186A, GLU187A, GLU295C, GLY141A, GLY302C, GLY303C, GLY44A, GLY48A, HIS161A, HIS162A, HIS170A, HIS41A, ILE258C, LEU163A, LEU165A, LEU169A, LEU27A, LEU306C, LYS152C, LYS254C, LYS45A, PHE179A, PHE298C, PHE46A, PRO166A, PRO39A, SER249C, SER296C, THR171A, THR250C, THR293C, TRP51A, TYR116A, TYR183A, VAL184A, VAL188A, VAL192A, VAL301C, VAL304C, VAL42A
• B-C: ALA257C, ARG305B, ARG305C, ASN299C, GLN220C, GLN300C, GLN307C, GLU215B, GLY260C, GLY302C, GLY303C, ILE210C, ILE258C, LEU255C, LEU306B, LEU306C, LYS214B, LYS214C, LYS254C, PHE218B, PHE298C, SER216B, SER217B, SER219B, SER219C, SER256C, THR253C, THR259C, VAL213B, VAL261C, VAL301C, VAL304B, VAL304C