3OGQ

crystal structure of 6s-98s fiv protease with lopinavir bound

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 113
  • Norm. En. per Res.: -5.8786
• 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	-136.1852	-26.7473	-501.344	-664.2765	113	35	12	19883	4	25	21

Interface residues

• A-B: ALA33A, ALA33B, ARG104A, ARG104B, ARG113A, ARG113B, ARG13A, ARG13B, ARG64A, ARG76A, ASN100B, ASN106A, ASN106B, ASN111A, ASN111B, ASP105A, ASP105B, ASP30A, ASP30B, ASP34A, ASP34B, ASP77A, ASP77B, ASP94A, GLN83A, GLN83B, GLU11A, GLU11B, GLU15A, GLU15B, GLU78A, GLY103A, GLY103B, GLY32A, GLY32B, GLY58A, GLY58B, GLY5A, GLY5B, GLY60A, GLY60B, GLY61A, GLY61B, GLY62A, GLY62B, ILE108A, ILE108B, ILE112A, ILE112B, ILE16A, ILE16B, ILE18A, ILE35A, ILE57A, ILE57B, ILE59A, ILE59B, ILE75A, ILE75B, LEU101A, LEU101B, LEU102A, LEU102B, LEU10A, LEU10B, LEU114A, LEU114B, LEU28A, LEU28B, LEU29A, LEU29B, LEU92A, LEU92B, LEU97A, LEU97B, LYS109A, LYS109B, LYS12A, LYS12B, LYS63A, LYS63B, LYS81A, LYS81B, MET107A, MET107B, MET116A, MET116B, MET56A, MET56B, PHE110A, PHE110B, PRO14A, PRO14B, SER96A, SER96B, SER98A, SER98B, THR31A, THR31B, THR6A, THR6B, THR7A, THR7B, THR8A, THR8B, THR9A, THR9B, VAL115A, VAL115B, VAL37A, VAL37B, VAL99A, VAL99B