3TPI

the geometry of the reactive site and of the peptide groups in trypsin, trypsinogen and its complexes with inhibitors

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: Z-I
  • Int. Res.: 83
  • Norm. En. per Res.: -3.8502
• Hub Node: Z(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
Z-I	-57.8438	-7.5896	-254.13	-319.5634	83	13	2	9500	2	8	18

Interface residues

• Z-I: ALA16I, ALA183Z, ALA221Z, ALA40I, ALA55Z, ALA56Z, ARG17I, ARG20I, ARG39I, ASN100Z, ASN143Z, ASN34Z, ASN74Z, ASN95Z, ASN97Z, ASP102Z, ASP189Z, ASP194Z, CYS14I, CYS191Z, CYS220Z, CYS38I, CYS42Z, CYS58Z, GLN175Z, GLN192Z, GLN221Z, GLY12I, GLY142Z, GLY174Z, GLY193Z, GLY196Z, GLY197Z, GLY216Z, GLY219Z, GLY226Z, GLY36I, GLY37I, GLY38Z, GLY43Z, HIS40Z, HIS57Z, ILE138Z, ILE18I, ILE19I, ILE73Z, LEU33Z, LEU99Z, LYS15I, LYS224Z, LYS46I, LYS60Z, MET180Z, PHE33I, PHE41Z, PRO13I, PRO152Z, PRO225Z, SER150Z, SER190Z, SER195Z, SER214Z, SER217Z, SER32Z, SER37Z, SER61Z, SER96Z, THR11I, THR149Z, THR98Z, TRP141Z, TRP215Z, TYR10I, TYR151Z, TYR172Z, TYR228Z, TYR35I, TYR39Z, TYR59Z, TYR94Z, VAL213Z, VAL227Z, VAL34I