1UHB

crystal structure of porcine alpha trypsin bound with auto catalyticaly produced native peptide at 2.15 a resolution

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-P
  • Int. Res.: 42
  • Norm. En. per Res.: -3.8226
• 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	-312.4584	-6.5107	1356.64	1037.6709	173	74	24	33722	0	9	5
A-P	0.0	-17.6664	-54.6601	-72.3265	34	6	0	2384	0	8	3
B-P	-34.1758	-11.0962	-115.276	-160.548	42	42	0	5162	1	3	6

Interface residues

• A-B: ALA129A, ALA130A, ALA132A, ALA160B, ALA221B, ALA23A, ALA243B, ALA244B, ALA24A, ALA55A, ALA56A, ARG125A, ASN101A, ASN143A, ASN179B, ASN202B, ASN233B, ASN236B, ASN245B, ASN25A, ASN48A, ASN72A, ASN93A, ASN95A, ASN97A, ASP100A, ASP102A, ASP165B, ASP189B, ASP194B, ASP74A, CYS128A, CYS136A, CYS157B, CYS182B, CYS191B, CYS201B, CYS220B, CYS22A, CYS232B, CYS42A, CYS58A, GLN156B, GLN175B, GLN192B, GLN204B, GLN210B, GLN221B, GLN239B, GLN240B, GLN30A, GLN50A, GLU135A, GLU70A, GLU77A, GLY133A, GLY140A, GLY142A, GLY148B, GLY174B, GLY178B, GLY184B, GLY187B, GLY188B, GLY18A, GLY193B, GLY196B, GLY197B, GLY19A, GLY203B, GLY211B, GLY216B, GLY219B, GLY226B, GLY43A, GLY44A, HIS40A, HIS57A, HIS71A, HIS91A, ILE103A, ILE106A, ILE138A, ILE16A, ILE176B, ILE181B, ILE212B, ILE238B, ILE242B, ILE27A, ILE47A, ILE73A, ILE88A, ILE89A, LEU105A, LEU123A, LEU137A, LEU154B, LEU155B, LEU158B, LEU163B, LEU209B, LEU33A, LEU46A, LEU99A, LYS107A, LYS145A, LYS159B, LYS188B, LYS230B, LYS87A, MET104A, MET180B, PHE184B, PHE41A, PHE94A, PRO124A, PRO152B, PRO161B, PRO198B, PRO28A, PRO92A, SER122A, SER127A, SER139A, SER146B, SER147B, SER149B, SER150B, SER153B, SER164B, SER166B, SER167B, SER190B, SER195B, SER214B, SER26A, SER32A, SER45A, SER49A, SER54A, THR120A, THR134A, THR144A, THR177B, THR21A, THR229B, THR241B, THR90A, THR98A, TRP141A, TRP215B, TRP237B, TRP51A, TYR151B, TYR20A, TYR228B, TYR234B, TYR29A, VAL121A, VAL162B, VAL17A, VAL183B, VAL199B, VAL200B, VAL213B, VAL227B, VAL231B, VAL235B, VAL31A, VAL52A, VAL53A, VAL75A
• A-P: ALA55A, ASN143A, ASN34A, ASP102A, ASP3P, ASP74A, ASP8P, CYS42A, CYS58A, CYS5P, GLN6P, GLY142A, GLY1P, GLY38A, GLY43A, GLY7P, HIS40A, HIS57A, ILE138A, ILE16A, ILE73A, LEU33A, LEU99A, LYS2P, LYS60A, PHE41A, SER37A, SER39A, SER4P, SER9P, THR144A, TRP141A, TYR59A, VAL17A
• B-P: ALA221B, ASP189B, ASP194B, ASP3P, ASP8P, CYS191B, CYS220B, CYS5P, GLN192B, GLN221B, GLN6P, GLY184B, GLY187B, GLY193B, GLY196B, GLY197B, GLY1P, GLY216B, GLY219B, GLY226B, GLY7P, ILE212B, LYS188B, LYS224B, LYS2P, PRO152B, PRO225B, SER149B, SER150B, SER153B, SER190B, SER195B, SER214B, SER4P, TRP215B, TYR151B, TYR172B, TYR217B, TYR228B, VAL183B, VAL213B, VAL227B