3MYW

the bowman-birk type inhibitor from mung bean in ternary complex with porcine trypsin

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-I
  • Int. Res.: 91
  • Norm. En. per Res.: -4.1576
• 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-I	-79.9738	-43.4801	-254.888	-378.342	91	26	1	9680	4	8	12
A-B	-6.9376	0.0	-21.9078	-28.8454	24	0	0	971	0	0	1
I-B	-72.6144	-13.7836	-210.943	-297.341	89	18	0	8496	2	15	15

Interface residues

• A-I: ALA221A, ALA29I, ALA55A, ALA56A, ARG47I, ARG54I, ASN143A, ASN30I, ASN34I, ASN95A, ASN97A, ASP102A, ASP189A, ASP194A, ASP57I, CYS182A, CYS191A, CYS220A, CYS28I, CYS40I, CYS42A, CYS43I, CYS45I, CYS53I, CYS55I, CYS58A, GLN175A, GLN192A, GLN221A, GLY142A, GLY174A, GLY184A, GLY193A, GLY196A, GLY197A, GLY216A, GLY219A, GLY226A, GLY43A, GLY51I, GLY96A, HIS27I, HIS40A, HIS57A, ILE138A, ILE16A, ILE31I, ILE44I, ILE73A, LEU158A, LEU33A, LEU56I, LEU99A, LYS188A, LYS224A, LYS41I, LYS52I, LYS60A, MET180A, MET49I, PHE41A, PHE94A, PRO152A, PRO173A, PRO225A, PRO50I, SER146A, SER149A, SER150A, SER15I, SER190A, SER195A, SER214A, SER37A, SER39A, SER42I, SER48I, THR46I, THR90A, THR98A, TRP141A, TRP215A, TYR151A, TYR172A, TYR217A, TYR228A, TYR59A, VAL17A, VAL183A, VAL213A, VAL227A
• A-B: ASN95A, ASN95B, ASN97A, ASN97B, ASP100A, ASP100B, GLN175A, GLN175B, GLY174A, GLY174B, GLY96A, GLY96B, ILE176A, ILE176B, PHE94A, PHE94B, PRO173A, PRO173B, THR177A, THR177B, THR98A, THR98B, TYR217A, TYR217B
• I-B: ALA221B, ALA29I, ALA55B, ALA56B, ARG54I, ASN143B, ASN30I, ASN95B, ASN97B, ASP102B, ASP14I, ASP17I, ASP189B, ASP194B, ASP57I, ASP60I, CYS16I, CYS18I, CYS191B, CYS220B, CYS26I, CYS28I, CYS42B, CYS55I, CYS58B, CYS62I, GLN175B, GLN192B, GLN221B, GLN25I, GLY140B, GLY142B, GLY174B, GLY193B, GLY196B, GLY197B, GLY216B, GLY219B, GLY226B, GLY43B, GLY96B, HIS27I, HIS40B, HIS57B, ILE138B, ILE16B, ILE212B, ILE73B, LEU158B, LEU33B, LEU56I, LEU99B, LYS20I, LYS224B, LYS22I, LYS60B, MET180B, PHE41B, PHE61I, PHE94B, PRO152B, PRO173B, PRO225B, PRO23I, PRO24I, SER150B, SER15I, SER190B, SER195B, SER214B, SER21I, SER32B, SER37B, SER39B, SER42I, THR19I, THR58I, THR98B, TRP141B, TRP215B, TYR151B, TYR172B, TYR217B, TYR228B, TYR59B, VAL17B, VAL183B, VAL213B, VAL227B