2JH0

human thrombin hirugen inhibitor complex

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: D-H
  • Int. Res.: 40
  • Norm. En. per Res.: -4.085
• Hub Node: C(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
C-D	-106.9749	-93.6697	283.037	82.3924	85	21	2	13138	9	38	30
D-H	-19.9878	-10.7716	-132.641	-163.4004	40	2	2	5095	4	27	9

Interface residues

• C-D: ALA132D, ALA1C, ALA22D, ARG137D, ARG14C, ARG206D, ARG4C, ASN159D, ASN204D, ASN205D, ASP116D, ASP14C, ASP15C, ASP1C, ASP1C9, ASP21D, CB7.61339-56.37103, CB9.16316-48.20747, CYS122D, CYS1C, GLN131D, GLN209D, GLU13C, GLU14C, GLU23D, GLU8C, GLY133D, GLY136D, GLY25D, GLY2C, HIS119D, ILE118D, ILE14C, ILE162D, ILE24D, ILE47D, LEU123D, LEU129D, LEU12C, LEU130D, LEU14C, LEU160D, LEU3C, LEU46D, LEU6C, LYS10C, LYS135D, LYS14C, LYS186D, LYS202D, LYS9C, MET201D, MET210D, MET26D, PHE114D, PHE199D, PHE204D, PHE7C, PRO120D, PRO161D, PRO204D, PRO28D, PRO5C, SER115D, SER11C, SER129D, SER14C, SER203D, SER20D, SER27D, SER48D, THR139D, THR14C, TRP207D, TRP29D, TYR117D, TYR134D, TYR14C, TYR184D, TYR208D, VAL121D, VAL138D, VAL157D, VAL158D, VAL200D
• D-H: ARG35D, ARG67D, ARG73D, ARG75D, ARG77D, ASN62D, ASN78D, ASP55H, GLN151D, GLN38D, GLU39D, GLU57H, GLU58H, GLU61H, GLU62H, GLU77D, GLU80D, ILE59H, ILE82D, LEU33D, LEU40D, LEU41D, LEU64H, LEU65D, LYS110D, LYS36D, LYS70D, MET32D, MET84D, PHE34D, PHE56H, PRO152D, PRO37D, PRO60H, SER153D, SER37D, SER72D, THR74D, TRP141D, TYR76D