1NKM

complex structure of hcmv protease and a peptidomimetic inhibitor

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 119
  • Norm. En. per Res.: -4.4063
• 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	-67.4707	-41.0325	-415.852	-524.3552	119	37	18	17463	1	37	40

Interface residues

• A-B: ALA100A, ALA129A, ALA228A, ALA256A, ALA367B, ALA400B, ALA429B, ALA528B, ALA556B, ALA67A, ARG109A, ARG232A, ARG234A, ARG239A, ARG392B, ARG398B, ARG399B, ARG409B, ARG515B, ARG532B, ARG534B, ARG539B, ARG92A, ARG98A, ARG99A, ASN224A, ASN524B, ASN62A, ASP217A, ASP227A, ASP364B, ASP517B, ASP527B, ASP64A, GLU102A, GLU105A, GLU122A, GLU233A, GLU395B, GLU402B, GLU405B, GLU422B, GLU533B, GLU95A, GLY126A, GLY220A, GLY223A, GLY426B, GLY430B, GLY520B, GLY523B, ILE231A, ILE396B, ILE531B, ILE96A, LEU106A, LEU124A, LEU170A, LEU221A, LEU222A, LEU229A, LEU235A, LEU238A, LEU406B, LEU424B, LEU470B, LEU521B, LEU522B, LEU529B, LEU535B, LEU538B, LYS103A, LYS242A, LYS255A, LYS403B, LYS555B, PHE123A, PHE393B, PHE423B, PHE514B, PHE93A, PRO236A, PRO536B, SER101A, SER104A, SER108A, SER125A, SER127A, SER162A, SER216A, SER218A, SER225A, SER401B, SER404B, SER408B, SER425B, SER427B, SER462B, SER516B, SER518B, SER525B, THR366B, THR66A, TYR128A, TYR219A, TYR230A, TYR428B, TYR519B, TYR530B, VAL107A, VAL163A, VAL226A, VAL254A, VAL397B, VAL407B, VAL463B, VAL526B, VAL554B, VAL97A