3IMA

complex strcuture of tarocystatin and papain

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 91
  • Norm. En. per Res.: -4.0909
• 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	-51.7864	-12.564	-307.922	-372.2725	91	13	5	10573	1	7	6
A-C	0.0	0.0	-7.1744	-7.1744	11	2	0	357	0	2	0
C-D	-45.7346	0.0	-290.902	-336.6366	84	15	6	10474	0	6	5

Interface residues

• A-B: ALA136A, ALA137A, ALA160A, ALA17B, ALA27A, ALA2B, ALA79B, ARG145A, ARG59A, ASN175A, ASN18A, ASN64A, ASN82B, ASP158A, ASP9B, CYS22A, CYS63A, GLN142A, GLN19A, GLN48B, GLN49B, GLN78B, GLU135A, GLU18B, GLY138A, GLY178A, GLY180A, GLY182A, GLY20A, GLY23A, GLY53B, GLY5B, GLY62A, GLY65A, GLY66A, GLY6B, GLY90A, HIS159A, HIS56B, HIS57B, HIS87B, ILE54B, ILE7B, LEU134A, LEU143A, LEU22B, LEU3B, LEU81B, LYS139A, LYS156A, LYS17A, LYS74B, LYS85B, MET4B, MET55B, PHE141A, PHE207A, PRO68A, SER131A, SER16B, SER176A, SER205A, SER21A, SER24A, SER29A, SER52B, SER60A, SER70A, SER83B, THR179A, THR204A, TRP177A, TRP181A, TRP26A, TRP69A, TRP76B, TRP80B, TYR144A, TYR61A, TYR67A, TYR88A, VAL132A, VAL133A, VAL157A, VAL161A, VAL19B, VAL50B, VAL51B, VAL77B, VAL8B, VAL91A
• A-C: ALA126A, ASN127C, GLU3A, ILE1A, ILE1C, LYS10A, PRO2A, PRO2C, TYR123A, TYR123C, TYR166A
• C-D: ALA136C, ALA137C, ALA160C, ALA27C, ALA2D, ALA79D, ARG145C, ARG59C, ASN175C, ASN18C, ASN64C, ASN82D, ASP158C, CYS22C, CYS63C, GLN142C, GLN19C, GLN48D, GLN49D, GLN78D, GLU135C, GLU18D, GLY138C, GLY178C, GLY180C, GLY182C, GLY20C, GLY23C, GLY53D, GLY5D, GLY62C, GLY65C, GLY66C, GLY6D, GLY90C, HIS159C, HIS56D, HIS57D, HIS87D, ILE54D, ILE7D, LEU134C, LEU143C, LEU3D, LEU81D, LYS139C, LYS156C, LYS17C, LYS74D, LYS85D, MET4D, MET55D, PHE141C, PHE207C, PRO68C, SER131C, SER176C, SER205C, SER21C, SER24C, SER29C, SER52D, SER60C, THR179C, THR204C, TRP177C, TRP181C, TRP26C, TRP69C, TRP76D, TRP80D, TYR144C, TYR61C, TYR67C, TYR88C, VAL132C, VAL133C, VAL157C, VAL161C, VAL50D, VAL51D, VAL77D, VAL8D, VAL91C