1P2I

structural consequences of accommodation of four non- cognate amino-acid residues in the s1 pocket of bovine trypsin and chymotrypsin

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-I
  • Int. Res.: 75
  • Norm. En. per Res.: -3.8908
• Hub Node: A(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
A-I	-70.0243	5.588	-227.375	-291.8112	75	8	3	8054	0	5	12

Interface residues

• A-I: ALA16I, ALA40I, ALA55A, ALA56A, ARG17I, ARG20I, ARG39I, ASN100A, ASN143A, ASN34A, ASN74A, ASN95A, ASN97A, ASP102A, ASP194A, CYS14I, CYS191A, CYS220A, CYS38I, CYS42A, CYS58A, GLN175A, GLN192A, GLY12I, GLY142A, GLY15I, GLY174A, GLY193A, GLY196A, GLY197A, GLY216A, GLY219A, GLY226A, GLY36I, GLY37I, GLY38A, GLY43A, HIS40A, HIS57A, ILE176A, ILE18I, ILE19I, ILE73A, LEU33A, LEU99A, LYS46I, LYS60A, MET180A, PHE33I, PHE41A, PRO13I, PRO152A, SER150A, SER190A, SER195A, SER214A, SER217A, SER32A, SER37A, SER61A, SER96A, THR11I, THR149A, THR98A, TRP141A, TRP215A, TYR151A, TYR172A, TYR35I, TYR39A, TYR59A, TYR94A, VAL213A, VAL227A, VAL34I