1TO1

crystal structure of the complex of subtilisin bpn' with chymotrypsin inhibitor 2 y61a mutant

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: E-I
  • Int. Res.: 91
  • Norm. En. per Res.: -4.054
• Hub Node: E(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
E-I	-83.2968	-40.0984	-245.515	-368.9102	91	13	5	9430	1	11	10

Interface residues

• E-I: ALA151E, ALA152E, ALA153E, ALA179E, ALA187E, ALA216E, ALA223E, ALA61I, ALA98E, ARG62I, ARG65I, ARG67I, ARG81I, ASN155E, ASN218E, ASN62E, ASP32E, ASP99E, GLN103E, GLN78I, GLU156E, GLU23I, GLU60I, GLY100E, GLY102E, GLY127E, GLY128E, GLY131E, GLY154E, GLY157E, GLY166E, GLY169E, GLY202E, GLY219E, GLY54I, GLY65E, GLY83I, GLY97E, HIS64E, HIS67E, ILE107E, ILE108E, ILE111E, ILE31E, ILE49I, ILE56I, ILE63I, LEU126E, LEU135E, LEU51I, LEU96E, MET124E, MET222E, MET59I, PHE189E, PHE69I, PRO129E, PRO168E, PRO52I, SER101E, SER105E, SER125E, SER130E, SER132E, SER159E, SER188E, SER190E, SER191E, SER204E, SER221E, SER224E, SER33E, SER63E, THR158E, THR164E, THR220E, THR55I, THR58I, TRP106E, TYR104E, TYR167E, TYR171E, TYR217E, VAL203E, VAL50I, VAL53I, VAL57I, VAL68E, VAL79I, VAL82I, VAL95E