3D23

main protease of hcov-hku1

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 141
  • Norm. En. per Res.: -2.7131
• Hub Node: B(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
B-C	-14.4599	1.1715	-88.9733	-102.2618	50	8	0	3736	0	4	7
B-D	-8.6496	0.0	-87.7001	-96.3497	53	8	0	3646	2	3	3
A-C	-85.4877	-3.3963	-293.663	-382.547	141	23	7	12518	0	16	16
C-D	0.0	-0.8873	-6.0923	-6.9796	23	0	0	435	0	2	4

Interface residues

• B-C: ALA264C, ALA265C, ALA56B, ARG268C, ARG276C, ARG40B, ARG60B, ASN222C, ASP223C, ASP34B, CYS59B, GLN221C, GLN274C, GLN277C, GLN81B, GLN83B, GLN86B, GLY272C, GLY275C, GLY84B, LEU269C, LEU58B, LEU63B, LEU87B, LEU89B, LYS267C, LYS35B, MET271C, MET82B, PHE219C, PHE273C, PHE66B, SER55B, SER79B, SER92B, THR178B, THR62B, THR76B, THR90B, TRP218C, TYR270C, TYR37B, TYR54B, TYR80B, VAL220C, VAL224C, VAL61B, VAL77B, VAL78B, VAL88B
• B-D: ALA188D, ARG72B, ASN48D, ASN50D, ASN95B, ASP33B, ASP34B, CYS142D, CYS171D, GLN189D, GLN192D, GLN94B, GLU166D, GLU51D, GLY138D, GLY143D, GLY170D, HIS172D, LEU141D, LEU167D, LEU193D, LEU75B, LEU93B, LYS137D, LYS35B, MET25D, MET49D, MET69B, MET73B, PHE140D, PRO96B, SER139D, SER168D, SER24D, SER45D, SER46D, SER47D, SER70B, SER74B, SER92B, THR169D, THR26D, THR76B, THR90B, THR98B, TRP31B, TYR118D, TYR97B, VAL190D, VAL191D, VAL77B, VAL78B, VAL91B
• A-C: ALA-1A, ALA116A, ALA116C, ALA117A, ALA117C, ALA125A, ALA125C, ALA211C, ALA298A, ALA298C, ARG121A, ARG121C, ARG131C, ASN214A, ASN214C, ASN215C, ASP155A, ASP197C, ASP292A, ASP292C, CYS142C, CYS171A, CYS171C, CYS216C, CYS282A, CYS282C, GLN123A, GLN123C, GLN277A, GLN277C, GLN295A, GLN295C, GLN296A, GLN296C, GLU14A, GLU14C, GLU166A, GLU166C, GLU285A, GLU287A, GLU287C, GLY124A, GLY124C, GLY138A, GLY138C, GLY154A, GLY170A, GLY170C, GLY275C, GLY280A, GLY280C, GLY299A, GLY299C, GLY2A, GLY2C, HIS127A, HIS127C, HIS172A, HIS172C, ILE136A, ILE136C, ILE13A, ILE13C, ILE212C, ILE3A, ILE3C, LEU115A, LEU115C, LEU141A, LEU141C, LEU152A, LEU152C, LEU167C, LEU213C, LEU279A, LEU279C, LEU297A, LEU297C, LYS12A, LYS12C, LYS137A, LYS137C, LYS5A, LYS5C, MET254C, MET6A, MET6C, PHE126A, PHE126C, PHE140A, PHE140C, PHE273C, PHE284A, PRO122A, PRO122C, PRO15A, PRO15C, PRO9A, PRO9C, SER0A, SER11A, SER11C, SER139A, SER139C, SER156A, SER168A, SER168C, SER1A, SER281A, SER281C, SER8A, SER8C, THR10A, THR10C, THR113A, THR113C, THR135C, THR153A, THR169A, THR169C, THR283A, THR283C, TYR118A, TYR118C, TYR150A, TYR150C, TYR294A, TYR294C, TYR97A, TYR97C, VAL114A, VAL114C, VAL128A, VAL128C, VAL293A, VAL293C, VAL300A, VAL4A, VAL4C, VAL7A, VAL7C
• C-D: ARG60D, ASN119D, ASN222C, ASP223C, ASP229C, ASP65D, CYS225C, GLU228C, GLU260C, GLY23D, MET25D, SER226C, SER24D, SER258C, SER45D, SER47D, THR21D, THR227C, THR26D, THR62D, THR67D, TYR22D, VAL224C