3M7Q

crystal structure of recombinant kunitz type serine protease inhibitor-1 from the caribbean sea anemone stichodactyla helianthus in complex with bovine pancreatic trypsin

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 84
  • Norm. En. per Res.: -3.6512
• 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-B	-51.6101	-12.7087	-242.381	-306.6998	84	7	2	8637	2	7	11

Interface residues

• A-B: ALA163A, ALA198A, ALA38A, ALA39A, ARG11B, ARG18B, ASN123A, ASN77A, ASN79A, ASN82A, ASP171A, ASP176A, ASP84A, CYS12B, CYS173A, CYS197A, CYS25A, CYS36B, CYS41A, GLN155A, GLN174A, GLN199A, GLU44B, GLY10B, GLY122A, GLY128A, GLY14B, GLY154A, GLY175A, GLY178A, GLY179A, GLY194A, GLY196A, GLY204A, GLY26A, GLY34B, GLY35B, GLY37B, HIS23A, HIS40A, ILE118A, ILE156A, ILE190A, ILE1A, ILE32B, LEU18A, LEU81A, LYS13B, LYS202A, LYS43A, LYS7B, MET160A, PHE16B, PHE24A, PHE31B, PRO132A, PRO17B, PRO203A, PRO30B, SER127A, SER130A, SER172A, SER177A, SER192A, SER195A, SER20A, SER78A, THR129A, THR157A, THR80A, TRP121A, TRP193A, TYR131A, TYR152A, TYR15B, TYR206A, TYR22A, TYR33B, TYR42A, TYR76A, VAL191A, VAL205A, VAL2A, VAL9B