1PPE

the refined 2.0 angstroms x-ray crystal structure of the complex formed between bovine beta-trypsin and cmti-i, a trypsin inhibitor from squash seeds (cucurbita maxima): topological similarity of the squash seed inhibitors with the carboxypeptidase a inhibitor from potatoes

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: E-I
  • Int. Res.: 93
  • Norm. En. per Res.: -4.1205
• Hub Node: E(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
E-I	-54.3396	-44.3918	-284.474	-383.2054	93	14	4	10575	4	11	11

Interface residues

• E-I: ALA183E, ALA18I, ALA221E, ALA55E, ALA56E, ARG1I, ARG5I, ASN100E, ASN143E, ASN97E, ASP102E, ASP189E, ASP194E, CYS10I, CYS16I, CYS182E, CYS191E, CYS20I, CYS220E, CYS28I, CYS3I, CYS42E, CYS58E, GLN175E, GLN192E, GLN221E, GLU19I, GLU24I, GLU9I, GLY142E, GLY148E, GLY174E, GLY184E, GLY193E, GLY196E, GLY197E, GLY216E, GLY219E, GLY226E, GLY26I, GLY29I, GLY38E, GLY43E, HIS25I, HIS40E, HIS57E, ILE138E, ILE16E, ILE176E, ILE6I, ILE73E, LEU158E, LEU17I, LEU23I, LEU33E, LEU7I, LEU99E, LYS145E, LYS188E, LYS224E, LYS60E, MET104E, MET180E, MET8I, PHE41E, PRO152E, PRO225E, PRO4I, SER146E, SER147E, SER150E, SER190E, SER195E, SER214E, SER217E, SER37E, SER96E, THR149E, THR98E, TRP141E, TRP215E, TYR151E, TYR172E, TYR228E, TYR27I, TYR39E, TYR59E, TYR94E, VAL17E, VAL213E, VAL21I, VAL227E, VAL2I