2J5C

rational conversion of substrate and product specificity in a monoterpene synthase. structural insights into the molecular basis of rapid evolution.

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 68
  • Norm. En. per Res.: -2.9378
• 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	-23.4875	-19.5067	-156.773	-199.7672	68	7	3	6252	2	25	18

Interface residues

• A-B: ALA363A, ALA424A, ALA424B, ARG366A, ASP346B, ASP349B, CYS382B, GLN358A, GLN365A, GLN374A, GLU303B, GLU355A, GLU355B, GLU356A, GLU356B, GLU370A, GLU418A, GLU423A, GLU437A, GLY352B, GLY430A, GLY430B, HIS302B, HIS431A, HIS431B, ILE350B, ILE381B, ILE422A, LEU304B, LEU354A, LEU354B, LEU357A, LEU357B, LEU359A, LEU375B, LEU421A, LYS425A, LYS425B, LYS429A, LYS429B, LYS432A, LYS432B, LYS440A, MET379B, PHE306B, PHE348B, PHE360A, PRO305B, PRO376B, PRO377B, PRO433A, SER434A, THR353A, THR353B, THR361A, THR362A, TRP426A, TRP426B, TYR351B, TYR378B, TYR427A, TYR427B, TYR428A, TYR428B, VAL307B, VAL347B, VAL414A, VAL503B