1ZR0

crystal structure of kunitz domain 1 of tissue factor pathway inhibitor-2 with bovine trypsin

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 79
  • Norm. En. per Res.: -4.3818
• 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	-57.9215	-47.0856	-241.157	-346.1641	79	15	4	8773	4	6	9
A-C	-7.7224	0.0	-17.49	-25.2124	21	1	1	1029	0	2	1
C-D	-38.5326	-51.1859	-219.379	-309.0975	84	23	4	8729	4	6	9

Interface residues

• A-B: ALA16B, ALA183A, ALA221A, ALA55A, ALA56A, ARG15B, ARG20B, ASN143A, ASN95A, ASN97A, ASP102A, ASP189A, ASP194A, CYS14B, CYS182A, CYS191A, CYS220A, CYS38B, CYS42A, CYS58A, GLN175A, GLN192A, GLN221A, GLU39B, GLY12B, GLY142A, GLY148A, GLY193A, GLY196A, GLY197A, GLY216A, GLY219A, GLY226A, GLY36B, GLY37B, GLY38A, GLY43A, HIS40A, HIS57A, ILE138A, ILE16A, ILE73A, LEU158A, LEU17B, LEU18B, LEU19B, LEU34B, LEU99A, LYS188A, LYS224A, LYS60A, PHE33B, PHE41A, PRO13B, PRO152A, PRO225A, SER147A, SER190A, SER195A, SER214A, SER217A, SER37A, SER96A, THR149A, THR98A, TRP141A, TRP215A, TYR11B, TYR151A, TYR172A, TYR228A, TYR35B, TYR39A, TYR46B, TYR59A, TYR94A, VAL17A, VAL213A, VAL227A
• A-C: ALA171C, ALA243A, ASN223C, ASN245A, CYS168C, GLN240A, GLU186C, ILE242A, LEU163C, LEU185C, LYS169C, LYS222C, LYS239A, LYS87A, SER164C, SER166C, SER167C, SER170C, SER236A, SER244A, THR241A
• C-D: ALA16D, ALA183C, ALA221C, ALA55C, ALA56C, ARG15D, ARG20D, ASN143C, ASN97C, ASP102C, ASP189C, ASP194C, CYS14D, CYS182C, CYS191C, CYS220C, CYS38D, CYS42C, CYS58C, GLN175C, GLN192C, GLN221C, GLN32D, GLU39D, GLY12D, GLY142C, GLY148C, GLY184C, GLY193C, GLY196C, GLY197C, GLY216C, GLY219C, GLY226C, GLY36D, GLY37D, GLY38C, GLY43C, HIS40C, HIS57C, ILE138C, ILE16C, ILE212C, ILE73C, LEU158C, LEU17D, LEU18D, LEU19D, LEU33C, LEU34D, LEU99C, LEU9D, LYS188C, LYS224C, LYS60C, PHE41C, PRO13D, PRO152C, PRO225C, SER146C, SER147C, SER150C, SER190C, SER195C, SER214C, SER217C, SER37C, SER96C, THR149C, THR98C, TRP141C, TRP215C, TYR11D, TYR151C, TYR172C, TYR228C, TYR35D, TYR39C, TYR46D, TYR59C, TYR94C, VAL17C, VAL213C, VAL227C