3KPE

solution structure of the respiratory syncytial virus (rsv)six-helix bundle complexed with tmc353121, a small-moleucule inhibitor of rsv

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 70
  • Norm. En. per Res.: -3.3275
• 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	-14.339	3.0305	-221.614	-232.9224	70	7	8	9134	0	11	12

Interface residues

• A-B: ALA170A, ALA177A, ALA490B, ALA504B, ARG507B, ASN165A, ASN175A, ASN183A, ASN496B, ASN500B, ASN515B, ASN517B, ASP194A, ASP486B, ASP489B, ASP510B, GLN494B, GLN501B, GLU163A, GLU487B, GLU497B, GLU511B, GLY162A, GLY184A, HIS159A, HIS514B, ILE167A, ILE492B, ILE499B, ILE506B, LEU160A, LEU171A, LEU172A, LEU181A, LEU188A, LEU193A, LEU195A, LEU503B, LEU512B, LEU513B, LYS166A, LYS168A, LYS176A, LYS191A, LYS196A, LYS498B, LYS508B, PHE488B, PHE505B, SER169A, SER173A, SER180A, SER182A, SER186A, SER190A, SER491B, SER493B, SER502B, SER509B, THR174A, THR189A, TYR198A, VAL164A, VAL178A, VAL179A, VAL185A, VAL187A, VAL192A, VAL495B, VAL516B