3HL9

simvastatin synthase (lovd) from aspergillus terreus, unliganded

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 146
  • Norm. En. per Res.: -2.2631
• Hub Node: A(3)

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	-4.1793	-8.7504	-182.829	-195.7587	124	6	2	8124	0	36	38
A-C	0.0	0.0	-0.2327	-0.2327	4	0	0	51	0	2	0
A-D	0.0	15.5898	-12.3656	3.2242	24	5	1	1204	0	5	6
B-C	-7.3589	12.0	-185.432	-180.7909	83	6	8	7980	0	37	33
B-D	0.0	0.0	-3.9071	-3.9071	5	0	0	168	0	2	3
C-D	-62.3883	-33.4909	-234.529	-330.4083	146	56	8	13002	2	37	51

Interface residues

• A-B: ALA158A, ALA158B, ALA247A, ALA247B, ALA24A, ALA24B, ALA321A, ALA321B, ARG154A, ARG154B, ARG173A, ARG173B, ARG244A, ARG244B, ARG250A, ARG250B, ARG252A, ARG252B, ARG28A, ARG28B, ARG396A, ARG396B, ARG400A, ARG400B, ARG73A, ARG73B, ASN245A, ASN245B, ASN326A, ASN326B, ASN391A, ASN391B, ASP248A, ASP248B, ASP254A, ASP254B, ASP392A, ASP392B, ASP397A, ASP397B, CYS395A, CYS395B, GLN159A, GLN159B, GLN163A, GLN163B, GLN270A, GLN270B, GLN29A, GLN29B, GLU155A, GLU155B, GLU166A, GLU166B, GLY121A, GLY121B, GLY160A, GLY160B, GLY249A, GLY249B, HIS150A, HIS150B, HIS161A, HIS161B, HIS243A, HIS243B, HIS324A, HIS324B, ILE325A, ILE325B, LEU149A, LEU149B, LEU152A, LEU152B, LEU153A, LEU153B, LEU162A, LEU162B, LEU251A, LEU251B, LEU398A, LEU398B, LYS23A, LYS23B, LYS26A, LYS26B, MET157A, MET157B, MET333A, MET333B, PHE148A, PHE148B, PHE267A, PHE267B, PRO151A, PRO151B, PRO176A, PRO176B, PRO323A, PRO323B, PRO389A, PRO389B, PRO393A, PRO393B, SER172A, SER172B, SER246A, SER246B, SER27A, SER27B, SER322A, SER322B, THR401A, THR401B, TRP390A, TRP390B, TYR146A, TYR146B, TYR156A, TYR156B, VAL147A, VAL147B, VAL394A, VAL394B
• A-C: ALA120C, ASN122C, LYS26A, SER27A
• A-D: ALA10A, ALA10D, ALA11A, ALA11D, ALA20A, ALA20D, ARG22A, ARG22D, ARG48A, ARG48D, ASP12A, ASP12D, GLU18A, GLU18D, LEU16A, LEU16D, LYS23A, LYS26A, THR19A, THR19D, VAL14A, VAL14D, VAL15A, VAL15D
• B-C: ALA110B, ALA110C, ALA123B, ALA123C, ALA165B, ALA165C, ALA175B, ALA175C, ALA178C, ALA202B, ALA202C, ARG103B, ARG103C, ARG128B, ARG128C, ARG201B, ARG201C, ASP102B, ASP102C, ASP107B, ASP107C, GLN159B, GLN159C, GLN163B, GLN163C, GLN171B, GLN171C, GLU127B, GLU127C, GLU166B, GLU166C, GLU200B, GLY160B, GLY160C, GLY169B, GLY169C, GLY204B, GLY204C, HIS161B, HIS161C, ILE170B, ILE170C, LEU104B, LEU104C, LEU105B, LEU105C, LEU108B, LEU108C, LEU114C, LEU125B, LEU125C, LEU162B, LEU162C, LEU174B, LEU174C, LYS167B, LYS167C, LYS197B, LYS197C, MET111B, MET111C, PHE168B, PHE168C, PRO106B, PRO106C, PRO112B, PRO112C, PRO176B, PRO176C, PRO177B, PRO177C, SER109B, SER109C, SER164B, SER164C, SER172B, SER172C, THR203B, TRP194B, TRP194C, TYR156B, TYR156C, VAL113C
• B-D: ALA120B, ALA123B, ASN122B, ASP118B, LYS26D
• C-D: ALA158C, ALA158D, ALA165C, ALA165D, ALA175C, ALA175D, ALA190C, ALA190D, ALA20C, ALA20D, ALA247C, ALA247D, ALA24C, ALA24D, ARG154C, ARG154D, ARG173C, ARG173D, ARG22C, ARG22D, ARG244C, ARG244D, ARG250C, ARG250D, ARG252C, ARG252D, ARG28C, ARG28D, ARG396C, ARG396D, ARG73C, ARG73D, ASN245C, ASN245D, ASN391C, ASN391D, ASP193C, ASP193D, ASP248C, ASP248D, ASP254C, ASP254D, ASP392C, ASP392D, ASP397C, ASP397D, CYS395C, CYS395D, GLN159C, GLN159D, GLN163C, GLN163D, GLN171C, GLN171D, GLN270C, GLN270D, GLN29C, GLN29D, GLU155C, GLU155D, GLU166C, GLU166D, GLU388C, GLU388D, GLY160C, GLY160D, GLY189C, GLY189D, GLY249C, GLY249D, HIS150C, HIS150D, HIS161C, HIS161D, HIS243C, HIS243D, HIS324C, HIS324D, ILE170C, ILE170D, ILE30C, ILE30D, LEU149C, LEU149D, LEU153C, LEU153D, LEU162C, LEU162D, LEU174C, LEU174D, LEU251C, LEU251D, LEU387C, LEU387D, LEU398C, LEU398D, LYS167C, LYS167D, LYS23C, LYS23D, LYS26C, LYS26D, LYS79C, LYS79D, MET157C, MET157D, PHE148C, PHE148D, PHE267C, PHE267D, PRO151C, PRO151D, PRO176C, PRO176D, PRO323C, PRO323D, PRO389C, PRO389D, PRO393C, PRO393D, SER145C, SER145D, SER164C, SER164D, SER172C, SER172D, SER246C, SER246D, SER27C, SER27D, TRP390C, TRP390D, TYR146C, TYR146D, TYR156C, TYR156D, TYR188C, TYR188D, TYR253C, TYR253D, VAL147C, VAL147D, VAL25C, VAL25D, VAL394C, VAL394D