2PTC

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: E-I
  • Int. Res.: 84
  • Norm. En. per Res.: -3.7632
• 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	-52.7659	-7.6848	-255.66	-316.1107	84	9	2	9500	2	8	17

Interface residues

• E-I: ALA16I, ALA183E, ALA221E, ALA40I, ALA55E, ALA56E, ARG17I, ARG20I, ARG39I, ASN100E, ASN143E, ASN34E, ASN74E, ASN95E, ASN97E, ASP102E, ASP189E, ASP194E, CYS14I, CYS191E, CYS220E, CYS38I, CYS42E, CYS58E, GLN175E, GLN192E, GLN221E, GLY12I, GLY142E, GLY174E, GLY193E, GLY196E, GLY197E, GLY216E, GLY219E, GLY226E, GLY36I, GLY37I, GLY38E, GLY43E, HIS40E, HIS57E, ILE138E, ILE16E, ILE18I, ILE19I, ILE73E, LEU33E, LEU99E, LYS15I, LYS224E, LYS46I, LYS60E, MET180E, PHE33I, PHE41E, PRO13I, PRO152E, PRO225E, SER150E, SER190E, SER195E, SER214E, SER217E, SER32E, SER37E, SER61E, SER96E, THR11I, THR149E, THR98E, TRP141E, TRP215E, TYR151E, TYR172E, TYR228E, TYR35I, TYR39E, TYR59E, TYR94E, VAL17E, VAL213E, VAL227E, VAL34I