2SIC

refined crystal structure of the complex of subtilisin bpn' and streptomyces subtilisin inhibitor at 1.8 angstroms resolution

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: E-I
  • Int. Res.: 91
  • Norm. En. per Res.: -3.7037
• 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	-83.7706	17.4995	-270.766	-337.0371	91	17	2	9612	0	11	6

Interface residues

• E-I: ALA105I, ALA151E, ALA152E, ALA153E, ALA179E, ALA187E, ALA216E, ALA223E, ALA98E, ARG65I, ARG95I, ASN104I, ASN123E, ASN155E, ASN218E, ASN62E, ASN99I, ASP32E, ASP68I, ASP76I, ASP99E, CYS101I, CYS71I, GLN103E, GLU100I, GLU102I, GLU156E, GLU67I, GLY100E, GLY102E, GLY127E, GLY128E, GLY131E, GLY154E, GLY157E, GLY166E, GLY169E, GLY202E, GLY219E, GLY65E, GLY66I, GLY97E, HIS106I, HIS64E, HIS67E, ILE107E, ILE108E, ILE111E, LEU126E, LEU135E, LEU209E, LEU96E, MET124E, MET222E, MET70I, MET73I, PHE189E, PHE97I, PRO129E, PRO168E, PRO72I, PRO77I, SER101E, SER105E, SER125E, SER130E, SER132E, SER188E, SER190E, SER191E, SER204E, SER221E, SER224E, SER33E, SER63E, SER98I, THR220E, TRP106E, TYR104E, TYR167E, TYR171E, TYR217E, TYR75I, VAL139E, VAL177E, VAL203E, VAL68E, VAL69I, VAL74I, VAL95E, VAL96I