2Z2C

mura inhibited by unag-cnicin adduct

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 45
  • Norm. En. per Res.: -3.1387
• 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	-24.8158	8.5927	-248.995	-265.218	144	15	6	11358	0	45	46
A-C	-9.8187	-48.8984	-146.392	-205.1092	97	11	4	6543	8	53	47
A-D	-4.4629	0.0	-57.74	-62.2029	36	4	0	2623	4	6	7
B-C	-19.1278	-90.4162	-31.6976	-141.2416	45	8	3	3620	8	8	11
B-D	-24.016	-54.6148	-110.997	-189.6278	89	8	4	5515	5	46	44
C-D	-33.4941	8.0033	-256.915	-282.4058	146	6	5	11329	1	44	44

Interface residues

• A-B: ALA119A, ALA119B, ALA343A, ALA343B, ALA345A, ALA345B, ALA363A, ALA363B, ALA367B, ARG120A, ARG120B, ARG331A, ARG331B, ARG340A, ARG340B, ARG391A, ARG391B, ARG91A, ARG91B, ASN330A, ASN330B, ASN350A, ASN350B, ASP123A, ASP123B, ASP390A, ASP390B, ASP85A, ASP85B, CYS115A, CYS115B, GLN364A, GLN364B, GLU139A, GLU139B, GLU140A, GLU140B, GLU329A, GLU329B, GLU337A, GLU337B, GLU346A, GLU346B, GLU348A, GLU348B, GLU384A, GLU384B, GLY113A, GLY113B, GLY114A, GLY114B, GLY118A, GLY118B, GLY141A, GLY141B, GLY342A, GLY342B, GLY362A, GLY362B, GLY385A, GLY385B, HIS334A, HIS334B, HIS344A, HIS394A, HIS394B, ILE117A, ILE117B, ILE347A, ILE347B, LEU111A, LEU111B, LEU138A, LEU138B, LEU338A, LEU338B, LEU360A, LEU376B, LEU86A, LYS160A, LYS160B, LYS3A, LYS3B, LYS88A, LYS88B, MET1A, MET1B, MET333A, MET333B, MET341A, MET341B, MET366A, MET366B, PHE332A, PHE332B, PRO112A, PRO112B, PRO121A, PRO121B, PRO336A, PRO336B, PRO83A, PRO83B, SER110A, SER110B, SER339A, SER339B, SER349A, SER349B, SER361A, SER361B, THR116A, THR116B, THR368A, THR368B, THR386A, THR386B, THR387A, THR89A, THR89B, TYR142A, TYR142B, TYR393A, TYR393B, TYR84A, TYR84B, VAL109A, VAL109B, VAL122A, VAL122B, VAL143A, VAL143B, VAL335A, VAL335B, VAL352A, VAL357A, VAL365A, VAL365B, VAL388A, VAL388B, VAL389A, VAL389B, VAL87A, VAL87B
• A-C: ALA185A, ALA185C, ALA186A, ALA186C, ALA261A, ALA261C, ALA264A, ALA264C, ALA297A, ALA297C, ALA301A, ALA301C, ARG187A, ARG187C, ARG212A, ARG212C, ARG267A, ARG267C, ARG295A, ARG295C, ASN184A, ASN184C, ASN293A, ASN293C, ASN350A, ASN350C, ASP123A, ASP159A, ASP159C, ASP211A, ASP211C, ASP257A, ASP257C, ASP260A, ASP260C, ASP268A, ASP268C, GLN131A, GLN131C, GLU183A, GLU183C, GLY209A, GLY209C, HIS155A, HIS155C, HIS299A, HIS299C, ILE156A, ILE156C, ILE181A, ILE181C, ILE182C, LEU124A, LEU124C, LEU259A, LEU259C, LEU263A, LEU263C, LYS160A, LYS160C, LYS265A, LYS265C, MET158A, MET158C, PHE302A, PHE302C, PRO121A, PRO256A, PRO256C, PRO298A, PRO298C, PRO300A, PRO300C, SER349A, SER349C, THR210A, THR210C, THR258A, THR258C, THR296A, THR296C, THR324A, THR324C, THR326A, THR326C, VAL157A, VAL157C, VAL161A, VAL161C, VAL262A, VAL262C, VAL275A, VAL275C, VAL292A, VAL292C, VAL294A, VAL294C
• A-D: ARG295A, ARG295D, ASN293A, ASN293D, ASN350A, ASN350D, CYS354A, CYS354D, GLU325D, GLU346A, GLU346D, GLU348A, GLU348D, GLY321A, GLY321D, HIS355A, HIS355D, ILE323A, ILE323D, ILE347A, ILE347D, ILE353A, ILE353D, PHE322A, PHE322D, SER349A, SER349D, THR320A, THR320D, THR324A, THR324D, THR326D, THR351A, THR351D, VAL352A, VAL352D
• B-C: ALA345B, ALA345C, ARG295B, ARG295C, ASN293B, ASN293C, ASN350B, ASN350C, CYS354B, CYS354C, GLU325B, GLU325C, GLU346B, GLU346C, GLU348B, GLU348C, GLY319B, GLY319C, GLY321B, GLY321C, HIS344B, HIS355B, HIS355C, ILE323B, ILE323C, ILE347B, ILE347C, ILE353B, ILE353C, PHE322B, PHE322C, SER349B, SER349C, THR320B, THR320C, THR324B, THR324C, THR326B, THR326C, THR351B, THR351C, VAL294B, VAL294C, VAL352B, VAL352C
• B-D: ALA185B, ALA185D, ALA186D, ALA261B, ALA261D, ALA264B, ALA264D, ALA297B, ALA297D, ALA301B, ALA301D, ARG187B, ARG187D, ARG212B, ARG212D, ARG267B, ARG267D, ARG295B, ARG295D, ASN184B, ASN184D, ASN293B, ASN293D, ASN350B, ASN350D, ASP123D, ASP159B, ASP159D, ASP211B, ASP211D, ASP257B, ASP257D, ASP260B, ASP260D, ASP268B, ASP268D, GLN131D, GLU183B, GLU183D, GLY209B, GLY209D, HIS155B, HIS155D, HIS299B, HIS299D, ILE156B, ILE156D, ILE181B, ILE181D, ILE182D, LEU124B, LEU124D, LEU259B, LEU263B, LEU263D, LEU266B, LYS160B, LYS160D, LYS265B, LYS265D, MET158B, MET158D, PHE302B, PHE302D, PHE322B, PRO121D, PRO298B, PRO298D, PRO300B, PRO300D, THR210B, THR210D, THR258B, THR296B, THR296D, THR324B, THR324D, THR326B, THR326D, VAL157B, VAL157D, VAL161B, VAL161D, VAL262B, VAL262D, VAL275B, VAL292D, VAL294B, VAL294D
• C-D: ALA119C, ALA119D, ALA343C, ALA343D, ALA345C, ALA345D, ALA363C, ALA363D, ALA367C, ALA367D, ALA383C, ARG120C, ARG120D, ARG331C, ARG331D, ARG340C, ARG340D, ARG391C, ARG391D, ARG91C, ARG91D, ASN330C, ASN330D, ASN350C, ASN350D, ASP123C, ASP123D, ASP390C, ASP390D, ASP85C, ASP85D, CYS115C, CYS115D, GLN364C, GLN364D, GLU139C, GLU139D, GLU140C, GLU140D, GLU329C, GLU329D, GLU337C, GLU337D, GLU346C, GLU346D, GLU348C, GLU348D, GLU384C, GLU384D, GLY113C, GLY113D, GLY114C, GLY114D, GLY118C, GLY118D, GLY141C, GLY141D, GLY342C, GLY342D, GLY362C, GLY362D, GLY385C, GLY385D, HIS334C, HIS334D, HIS344C, HIS344D, HIS394D, ILE117C, ILE117D, ILE347C, ILE347D, LEU111C, LEU111D, LEU138C, LEU138D, LEU338C, LEU338D, LEU360C, LEU376C, LEU376D, LYS137D, LYS144D, LYS160C, LYS160D, LYS3C, LYS3D, LYS88C, LYS88D, MET1C, MET1D, MET333C, MET333D, MET341C, MET341D, MET366C, MET366D, PHE332C, PHE332D, PRO112C, PRO112D, PRO121C, PRO121D, PRO336C, PRO336D, PRO83C, PRO83D, SER110C, SER110D, SER339C, SER339D, SER349C, SER349D, SER361C, SER361D, THR116C, THR116D, THR368C, THR368D, THR386C, THR386D, THR387C, THR387D, THR89C, THR89D, TYR142C, TYR142D, TYR393C, TYR393D, TYR84C, TYR84D, VAL109C, VAL109D, VAL122D, VAL143C, VAL143D, VAL335C, VAL335D, VAL365C, VAL365D, VAL388C, VAL388D, VAL389C, VAL389D, VAL87C, VAL87D