2ILN

crystal structure of the bowman-birk inhibitor from snail medic seeds in complex with bovine trypsin

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-I
  • Int. Res.: 89
  • Norm. En. per Res.: -4.4198
• 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	-12.205	0.0	-38.6125	-50.8175	30	4	0	1413	0	0	0
A-I	-89.5586	-47.3003	-226.853	-363.7119	84	18	1	8357	3	6	7
B-I	-83.9588	-49.8473	-259.552	-393.3581	89	18	1	9237	4	6	11

Interface residues

• A-B: ASN100A, ASN100B, ASN95A, ASN95B, ASN97A, ASN97B, GLN175A, GLN175B, GLY174A, GLY174B, ILE176A, ILE176B, LEU99A, LEU99B, LYS169A, LYS169B, PRO173A, PRO173B, SER93A, SER93B, SER96A, SER96B, THR177A, THR177B, THR98A, THR98B, TYR172A, TYR172B, TYR94A, TYR94B
• A-I: ALA183A, ALA221A, ALA55A, ALA56A, ARG16I, ARG49I, ASN143A, ASN95A, ASN97A, ASP102A, ASP10I, ASP189A, ASP194A, ASP26I, ASP52I, ASP55I, CYS12I, CYS14I, CYS182A, CYS191A, CYS220A, CYS22I, CYS42A, CYS57I, CYS58A, GLN175A, GLN192A, GLN21I, GLN221A, GLN23I, GLY142A, GLY184A, GLY193A, GLY196A, GLY197A, GLY216A, GLY219A, GLY226A, GLY43A, HIS40A, HIS57A, ILE138A, ILE16A, ILE18I, ILE53I, LEU158A, LEU39I, LEU99A, LYS188A, LYS224A, LYS60A, PHE11I, PHE41A, PRO13I, PRO173A, PRO19I, PRO20I, PRO225A, SER146A, SER17I, SER190A, SER195A, SER214A, SER217A, SER37A, SER37I, SER96A, THR149A, THR15I, THR25I, THR98A, TRP141A, TRP215A, TYR151A, TYR172A, TYR228A, TYR39A, TYR51I, TYR59A, TYR94A, VAL17A, VAL213A, VAL227A, VAL27I
• B-I: ALA171B, ALA183B, ALA221B, ALA55B, ALA56B, ARG42I, ARG49I, ASN143B, ASN97B, ASP102B, ASP189B, ASP194B, ASP26I, CYS182B, CYS191B, CYS220B, CYS24I, CYS31I, CYS38I, CYS40I, CYS42B, CYS48I, CYS58B, GLN175B, GLN192B, GLN221B, GLN23I, GLN47I, GLY142B, GLY184B, GLY193B, GLY196B, GLY197B, GLY216B, GLY219B, GLY226B, GLY43B, HIS40B, HIS57B, ILE138B, ILE16B, ILE176B, ILE73B, LEU158B, LEU33B, LEU39I, LEU99B, LYS188B, LYS224B, LYS36I, LYS60B, MET180B, PHE11I, PHE41B, PHE44I, PRO13I, PRO152B, PRO173B, PRO225B, PRO45I, PRO46I, SER146B, SER150B, SER190B, SER195B, SER214B, SER217B, SER37B, SER37I, SER43I, SER96B, THR144B, THR149B, THR25I, THR41I, THR98B, TRP141B, TRP215B, TYR151B, TYR172B, TYR228B, TYR39B, TYR51I, TYR59B, TYR94B, VAL17B, VAL213B, VAL227B, VAL27I