2RA3

human cationic trypsin complexed with bovine pancreatic trypsin inhibitor (bpti)

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 81
  • Norm. En. per Res.: -3.9624
• 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	-40.9953	0.0	-123.449	-164.4443	57	8	1	4792	0	5	5
A-C	-56.8107	3.6463	-267.791	-320.9554	81	8	4	9645	1	13	20
B-I	-58.7041	5.1483	-263.438	-316.9938	81	11	4	9580	1	14	23

Interface residues

• A-B: ALA127A, ALA130A, ALA145B, ALA149B, ALA221B, ASN143B, ASN202A, ASN21B, ASN223B, ASN233A, ASP150B, ASP189B, ASP217B, CYS157B, CYS201A, CYS220B, GLN156B, GLN204A, GLN210A, GLN221B, GLU186B, GLU24B, GLY133A, GLY148B, GLY187B, GLY188B, GLY18B, GLY19B, GLY203A, GLY219B, ILE121A, ILE16B, LEU123A, LEU158B, LEU185B, LEU209A, LYS135A, LYS188B, LYS222B, LYS224B, LYS230A, PHE184B, PRO124A, PRO128A, PRO129A, SER122A, SER146B, SER147B, THR125A, THR132A, THR134A, THR144B, TYR20B, TYR232A, VAL162A, VAL17B, VAL200A
• A-C: ALA149A, ALA16C, ALA195A, ALA221A, ALA40C, ALA55A, ARG17C, ARG20C, ARG39C, ARG90A, ARG96A, ASN143A, ASN34A, ASP102A, ASP189A, ASP194A, ASP217A, ASP95A, CYS14C, CYS191A, CYS220A, CYS38C, CYS42A, CYS58A, GLN192A, GLN221A, GLY12C, GLY142A, GLY193A, GLY196A, GLY197A, GLY216A, GLY219A, GLY226A, GLY36C, GLY37C, GLY38A, GLY43A, GLY56A, HIS40A, HIS57A, ILE138A, ILE16A, ILE18C, ILE19C, ILE73A, LEU33A, LEU99A, LYS15C, LYS175A, LYS224A, LYS46C, LYS60A, LYS97A, PHE33C, PHE41A, PRO13C, PRO152A, PRO225A, SER190A, SER214A, SER32A, SER37A, THR11C, THR98A, TRP141A, TRP215A, TYR10C, TYR151A, TYR172A, TYR228A, TYR35C, TYR39A, TYR59A, TYR94A, VAL17A, VAL183A, VAL212A, VAL213A, VAL227A, VAL34C
• B-I: ALA149B, ALA16I, ALA195B, ALA221B, ALA40I, ALA55B, ARG17I, ARG20I, ARG39I, ARG96B, ASN143B, ASN34B, ASP102B, ASP150B, ASP189B, ASP194B, ASP217B, ASP95B, CYS14I, CYS191B, CYS220B, CYS38I, CYS42B, CYS58B, GLN192B, GLN221B, GLY12I, GLY142B, GLY148B, GLY193B, GLY196B, GLY197B, GLY216B, GLY219B, GLY226B, GLY36I, GLY37I, GLY38B, GLY43B, GLY56B, HIS40B, HIS57B, ILE138B, ILE16B, ILE18I, ILE19I, ILE73B, LEU33B, LEU99B, LYS15I, LYS175B, LYS224B, LYS46I, LYS60B, LYS97B, PHE33I, PHE41B, PRO13I, PRO152B, PRO225B, SER190B, SER214B, SER37B, SER61B, THR11I, THR98B, TRP141B, TRP215B, TYR151B, TYR172B, TYR228B, TYR35I, TYR39B, TYR59B, TYR94B, VAL17B, VAL183B, VAL212B, VAL213B, VAL227B, VAL34I