1QA7

crystal complex of the 3c proteinase from hepatitis a virus with its inhibitor and implications for the polyprotein processing in hav

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 87
  • Norm. En. per Res.: -3.0288
• 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	-13.9092	-48.044	-201.556	-263.5093	87	7	6	9307	8	19	17
B-C	-9.7817	22.7441	-77.0312	-64.0688	58	2	2	4276	0	15	11
C-D	-26.2999	-22.3777	-201.099	-249.7766	92	7	5	9443	1	19	19

Interface residues

• A-B: ALA112A, ALA117A, ALA6A, ALA70B, ALA82B, ARG10A, ARG111A, ARG115A, ARG97A, ASN180A, ASN185A, ASN211B, ASN72B, ASP158B, ASP51B, ASP79B, ASP84B, GLN181A, GLN210B, GLN76B, GLN83B, GLU132A, GLU166A, GLU217B, GLU49B, GLU4A, GLU53B, GLY133A, GLY163A, GLY165A, GLY167A, GLY71B, GLY7A, GLY81B, ILE130A, ILE183A, ILE216B, ILE5A, ILE68B, ILE75B, LEU113A, LEU116A, LEU119A, LEU129A, LEU135A, LEU168A, LEU199A, LEU3A, LEU78B, LEU8A, LYS11A, LYS140B, LYS164A, LYS47B, LYS50B, LYS89B, MET128A, MET171A, MET54B, MET55B, MET88B, PHE16B, PHE48B, PHE57B, PRO127A, PRO134A, SER131A, SER179A, SER182A, SER197A, SER1A, SER43B, SER69B, SER77B, THR118A, THR121A, THR126A, THR2A, TYR46B, TYR52B, VAL120A, VAL123A, VAL73B, VAL74B, VAL80B, VAL86B, VAL9A
• B-C: ALA112C, ALA160C, ALA82C, ARG111C, ARG115C, ARG162C, ASN114C, ASN124B, ASN148B, ASN196B, ASP108C, ASP158C, ASP79C, GLN159C, GLU138C, GLU139C, GLU166B, GLY107C, GLY125B, GLY150B, GLY165B, GLY167B, GLY170B, GLY194B, GLY195B, GLY81C, HIS145B, ILE130B, ILE198B, LEU113C, LEU129B, LEU168B, LEU199B, LEU203C, LYS105C, LYS106C, LYS136C, LYS140C, LYS146B, LYS147B, MET128B, MET137C, MET171B, MET208C, PRO110C, PRO127B, PRO169B, SER197B, THR122B, THR126B, THR151B, THR152B, THR205C, TRP161C, VAL109C, VAL123B, VAL144B, VAL80C
• C-D: ALA117C, ALA6C, ALA70D, ALA82D, ARG10C, ARG115C, ARG97C, ASN124C, ASN12C, ASN180C, ASN185C, ASN211D, ASN72D, ASP154D, ASP158D, ASP51D, ASP79D, ASP84D, GLN181C, GLN76D, GLN83D, GLU132C, GLU166C, GLU217D, GLU49D, GLU4C, GLU53D, GLY125C, GLY133C, GLY163C, GLY165C, GLY167C, GLY71D, GLY7C, GLY81D, ILE130C, ILE198C, ILE216D, ILE5C, ILE75D, ILE99C, LEU116C, LEU119C, LEU129C, LEU155D, LEU168C, LEU199C, LEU3C, LEU78D, LEU8C, LYS11C, LYS140D, LYS147D, LYS164C, LYS47D, LYS50D, LYS89D, MET128C, MET54D, MET55D, MET88D, PHE16D, PHE48D, PHE57D, PRO127C, PRO134C, SER131C, SER179C, SER182C, SER197C, SER1C, SER43D, SER69D, SER77D, THR118C, THR121C, THR122C, THR126C, THR151D, THR152D, THR156D, THR2C, TYR46D, TYR52D, VAL120C, VAL123C, VAL153D, VAL73D, VAL74D, VAL80D, VAL86D, VAL9C