1OYV

crystal structure of tomato inhibitor-ii in a ternary complex with subtilisin carlsberg

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: B-I
  • Int. Res.: 84
  • Norm. En. per Res.: -3.7914
• 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	-58.4437	-4.4525	-296.897	-359.7932	115	21	7	11264	0	7	7
B-I	-83.5349	-9.0533	-225.891	-318.4792	84	15	3	7912	0	6	6

Interface residues

• A-I: ALA129A, ALA134A, ALA151A, ALA152A, ALA153A, ALA169A, ALA187A, ALA203A, ALA215A, ALA223A, ALA59I, ARG17I, ARG56I, ASN155A, ASN163A, ASN218A, ASN24I, ASN29I, ASN58I, ASN62A, ASN63I, ASN97A, ASP103I, ASP32A, ASP53I, ASP65I, CYS15I, CYS27I, CYS30I, CYS31I, CYS60I, CYS64I, GLU19I, GLU51I, GLY100A, GLY101I, GLY102A, GLY104I, GLY106A, GLY11I, GLY127A, GLY128A, GLY131A, GLY13I, GLY154A, GLY157A, GLY166A, GLY202A, GLY219A, GLY63A, GLY65A, HIS64A, HIS67A, ILE107A, ILE14I, ILE165A, ILE26I, ILE28I, LEU126A, LEU217A, LEU31A, LEU96A, LYS102I, LYS105I, LYS136A, LYS170A, LYS55I, MET124A, MET135A, MET222A, PHE100I, PHE106I, PHE12I, PHE189A, PHE62I, PRO168A, PRO25I, PRO54I, PRO57I, PRO66I, SER101A, SER103A, SER105A, SER125A, SER130A, SER132A, SER156A, SER159A, SER161A, SER188A, SER190A, SER191A, SER221A, SER224A, SER32I, SER52I, SER98A, SER99A, THR133A, THR162A, THR164A, THR216A, THR220A, THR33A, THR61I, TYR104A, TYR167A, TYR171A, TYR209A, TYR34I, TYR99I, VAL108A, VAL177A, VAL68A, VAL95A
• B-I: ALA129B, ALA151B, ALA152B, ALA153B, ALA169B, ALA187B, ALA203B, ALA223B, ALA2I, ARG5I, ASN123B, ASN155B, ASN218B, ASN62B, ASN97B, ASN9I, ASP113I, ASP32B, CYS3I, CYS7I, CYS87I, CYS90I, CYS91I, GLU111I, GLU6I, GLY100B, GLY102B, GLY127B, GLY128B, GLY154B, GLY157B, GLY166B, GLY202B, GLY204B, GLY219B, GLY63B, GLY65B, GLY86I, GLY8I, HIS64B, HIS67B, ILE107B, ILE165B, LEU126B, LEU217B, LEU31B, LEU96B, LYS116I, LYS170B, LYS1I, MET124B, MET135B, MET222B, PHE189B, PRO115I, PRO168B, SER101B, SER103B, SER105B, SER112I, SER125B, SER130B, SER132B, SER156B, SER188B, SER190B, SER191B, SER221B, SER224B, SER98B, SER99B, THR164B, THR220B, THR33B, THR4I, THR88I, THR89I, THR92I, TYR104B, TYR167B, TYR209B, TYR94I, VAL68B, VAL95B