3LAI

structural insights into the molecular mechanism of h-nox activation

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 63
  • Norm. En. per Res.: -1.9436
• Hub Node: A(2)

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	-20.0455	26.3438	-82.1733	-75.8749	53	4	0	3263	0	53	57
A-C	-18.847	16.2443	-119.844	-122.4467	63	8	0	4816	1	37	36

Interface residues

• A-B: ARG163A, ARG163B, ARG171A, ARG171B, ARG175A, ARG175B, ARG68A, ARG68B, ASN62A, ASN62B, ASN64A, ASN64B, ASP139A, ASP139B, GLU155B, GLU159A, GLU159B, GLU160A, GLU160B, GLU162A, GLU162B, GLU165A, GLU165B, GLU65A, GLY164A, GLY164B, GLY60A, GLY60B, ILE156A, ILE156B, LEU142A, LEU142B, LEU172A, LEU172B, LYS136A, LYS136B, LYS173A, LYS173B, LYS177B, LYS179A, LYS179B, SER157A, SER157B, TYR138A, TYR138B, VAL158A, VAL158B, VAL161A, VAL161B, VAL174A, VAL174B, VAL63A, VAL63B
• A-C: ALA112A, ALA53C, ARG116A, ARG163C, ARG171A, ARG171C, ARG49C, ARG50C, ASN62C, ASN64C, ASP139C, ASP167A, ASP167C, ASP44C, ASP46C, ASP99A, GLN104A, GLU100A, GLU160C, GLU165C, GLU47C, GLU57C, GLU65C, GLY102A, GLY111A, GLY164C, GLY168A, GLY168C, GLY60C, ILE109A, ILE118A, ILE66C, LEU103A, LEU105A, LEU40A, LYS107A, LYS110A, LYS134A, LYS136C, LYS166A, LYS166C, LYS2A, LYS54C, LYS58C, LYS61C, MET108A, MET137C, MET97A, PHE169A, PHE169C, PHE52C, SER170C, SER56C, THR106A, THR59C, TRP67C, TYR138C, TYR140C, VAL101A, VAL132A, VAL48C, VAL55C, VAL63C