1RYW

c115s mura liganded with reaction products

• Total interactions analyzed: 28
• Total true interactions: 15
• Strongest Interaction:
  • Chains: F-H
  • Int. Res.: 102
  • Norm. En. per Res.: -2.739
• Hub Node: A(4)

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	0.0	-11.3274	-44.8957	-56.2231	40	5	3	2752	0	6	8
A-C	-37.0612	2.0109	-224.989	-260.0393	146	6	6	10563	0	48	46
A-D	-34.401	-14.7143	-157.035	-206.1503	98	9	4	7449	7	57	51
A-G	-7.7881	11.1091	-79.1388	-75.8178	50	7	0	3493	3	33	39
B-C	-43.0714	-56.8433	-169.349	-269.2636	102	7	4	7635	9	55	52
B-D	-34.6709	-3.2158	-239.74	-277.6267	151	14	6	11153	0	48	48
B-E	-3.9825	7.2866	-17.1218	-13.8176	22	0	0	637	3	12	9
C-D	0.0	-18.5469	-44.2314	-62.7783	40	1	3	2635	0	6	7
D-F	0.0	0.0	-8.4473	-8.4473	12	0	0	251	0	7	4
E-F	-32.2054	-4.9815	-225.39	-262.5769	149	9	6	10598	0	47	48
E-G	-22.6585	-62.9961	-138.382	-224.0366	94	7	4	6846	6	55	51
E-H	0.0	-20.8892	-43.6769	-64.5661	41	4	3	2753	1	6	8
F-G	0.0	-19.9163	-53.8335	-73.7498	41	2	3	2948	1	8	10
F-H	-24.9403	-67.5846	-186.854	-279.3789	102	7	4	8201	9	56	51
G-H	-44.0983	4.9995	-228.079	-267.1777	146	10	6	10768	0	48	49

Interface residues

• A-B: ARG295A, ARG295B, ASN350A, ASN350B, CYS354A, CYS354B, GLU325A, GLU325B, GLU346A, GLU346B, GLU348A, GLU348B, GLY319A, GLY319B, GLY321A, GLY321B, HIS355A, HIS355B, ILE323A, ILE323B, ILE347A, ILE347B, ILE353A, ILE353B, SER349A, SER349B, THR293A, THR293B, THR320A, THR320B, THR324A, THR324B, THR326B, THR351A, THR351B, VAL294B, VAL322A, VAL322B, VAL352A, VAL352B
• A-C: ALA116A, ALA116C, ALA119A, ALA119C, ALA343A, ALA343C, ALA345A, ALA345C, ALA363A, ALA363C, ALA367C, ARG120A, ARG120C, ARG331A, ARG331C, ARG340A, ARG340C, ARG391A, ARG391C, ARG91A, ARG91C, ASN330A, ASN330C, ASN350A, ASN350C, ASP123A, ASP123C, ASP390A, ASP390C, ASP85A, ASP85C, GLN364A, GLN364C, GLU139A, GLU139C, GLU140A, GLU140C, GLU329A, GLU329C, GLU337A, GLU337C, GLU346A, GLU346C, GLU348A, GLU348C, GLU384A, GLU384C, GLU419A, GLU419C, GLY113A, GLY113C, GLY114A, GLY114C, GLY118A, GLY118C, GLY141A, GLY141C, GLY342A, GLY342C, GLY362A, GLY362C, GLY385A, GLY385C, HIS334A, HIS334C, HIS344A, HIS344C, ILE117A, ILE117C, ILE126A, ILE126C, ILE339A, ILE339C, ILE347A, ILE347C, LEU111A, LEU111C, LEU138A, LEU138C, LEU338A, LEU338C, LEU376A, LYS160A, LYS160C, LYS3A, LYS3C, LYS88A, LYS88C, MET1A, MET1C, MET333A, MET333C, MET341A, MET341C, MET366A, MET366C, PHE332A, PHE332C, PRO112A, PRO112C, PRO121A, PRO121C, PRO336A, PRO336C, PRO83A, PRO83C, SER110A, SER110C, SER115A, SER115C, SER349A, SER349C, SER361A, SER361C, THR368A, THR368C, THR386A, THR386C, THR387A, THR89A, THR89C, TYR142A, TYR142C, TYR393A, TYR393C, TYR84A, TYR84C, VAL109A, VAL109C, VAL122A, VAL122C, VAL143A, VAL143C, VAL335A, VAL335C, VAL352A, VAL352C, VAL357A, VAL365A, VAL365C, VAL388A, VAL388C, VAL389A, VAL389C, VAL87A, VAL87C
• A-D: ALA185A, ALA185D, ALA186A, ALA186D, ALA261A, ALA261D, ALA264A, ALA264D, ALA297A, ALA297D, ALA301A, ALA301D, ARG187A, ARG187D, ARG212A, ARG212D, ARG267A, ARG267D, ARG295A, ARG295D, ASN184A, ASN184D, ASP159A, ASP159D, ASP211A, ASP211D, ASP257A, ASP257D, ASP260A, ASP260D, GLU183A, GLU183D, GLU188A, GLU268A, GLU268D, GLY209A, GLY209D, HIS155A, HIS155D, HIS299A, HIS299D, ILE156A, ILE156D, ILE181A, ILE181D, ILE182A, ILE182D, ILE327A, ILE327D, LEU124A, LEU124D, LEU259A, LEU259D, LEU263A, LEU263D, LYS131A, LYS131D, LYS160A, LYS160D, LYS265A, LYS265D, MET158A, MET158D, PHE127A, PHE127D, PHE302A, PHE302D, PRO256A, PRO256D, PRO298A, PRO298D, PRO300A, PRO300D, PRO303A, SER349A, SER349D, THR210A, THR210D, THR258A, THR258D, THR293A, THR293D, THR296A, THR296D, THR324A, THR324D, THR326A, THR326D, VAL157A, VAL157D, VAL161A, VAL161D, VAL262A, VAL262D, VAL292A, VAL292D, VAL294A, VAL294D
• A-G: ALA317A, ALA383G, ALA411G, ARG11A, ARG11G, ARG288A, ARG288G, ASN412G, ASP272A, ASP283A, ASP283G, CYS381G, GLN13A, GLN13G, GLN7G, GLU318A, GLU358A, GLU358G, GLU384G, GLY14G, GLY246A, GLY246G, GLY247A, GLY247G, GLY270A, GLY286A, GLY286G, GLY319A, GLY385G, GLY410G, GLY8G, HIS285A, HIS285G, ILE382G, LEU360G, LYS248A, LYS248G, LYS287A, LYS287G, LYS290A, LYS359A, LYS359G, MET284A, MET284G, PRO289A, PRO9G, SER245G, THR10G, VAL316A, VAL357A
• B-C: ALA185B, ALA185C, ALA186B, ALA186C, ALA261B, ALA261C, ALA264B, ALA264C, ALA297B, ALA297C, ALA301B, ALA301C, ARG187B, ARG187C, ARG212B, ARG212C, ARG267B, ARG267C, ARG295B, ARG295C, ASN184B, ASN184C, ASP159B, ASP159C, ASP211B, ASP211C, ASP257B, ASP257C, ASP260B, ASP260C, GLU183B, GLU183C, GLU188B, GLU188C, GLU268B, GLU268C, GLY207B, GLY207C, GLY209B, GLY209C, HIS155B, HIS155C, HIS299B, HIS299C, ILE156B, ILE156C, ILE181B, ILE181C, ILE182B, ILE182C, ILE327B, ILE327C, LEU124B, LEU124C, LEU259B, LEU259C, LEU263B, LEU263C, LYS131B, LYS131C, LYS160B, LYS160C, LYS265B, LYS265C, MET158B, MET158C, PHE127B, PHE127C, PHE302B, PHE302C, PRO256B, PRO256C, PRO298B, PRO298C, PRO300B, PRO300C, PRO303B, PRO303C, SER349B, SER349C, THR210B, THR210C, THR258B, THR258C, THR293B, THR293C, THR296B, THR296C, THR324B, THR324C, THR326B, THR326C, VAL157B, VAL157C, VAL161B, VAL161C, VAL262B, VAL262C, VAL292B, VAL292C, VAL294B, VAL294C
• B-D: ALA116B, ALA116D, ALA119B, ALA119D, ALA343B, ALA343D, ALA345B, ALA345D, ALA363B, ALA363D, ALA367B, ALA367D, ARG120B, ARG120D, ARG331B, ARG331D, ARG340B, ARG340D, ARG391B, ARG391D, ARG91B, ARG91D, ASN330B, ASN330D, ASN350B, ASN350D, ASP123B, ASP123D, ASP390B, ASP390D, ASP85B, ASP85D, GLN364B, GLN364D, GLU139B, GLU139D, GLU140B, GLU140D, GLU329B, GLU329D, GLU337B, GLU337D, GLU346B, GLU346D, GLU348B, GLU348D, GLU384B, GLU384D, GLU419B, GLU419D, GLY113B, GLY113D, GLY114B, GLY114D, GLY118B, GLY118D, GLY141B, GLY141D, GLY342B, GLY342D, GLY362B, GLY362D, GLY385B, GLY385D, GLY418B, GLY418D, HIS334B, HIS334D, HIS344B, HIS344D, ILE117B, ILE117D, ILE126B, ILE126D, ILE339B, ILE339D, ILE347B, ILE347D, LEU111B, LEU111D, LEU138B, LEU138D, LEU338B, LEU338D, LEU360B, LEU376D, LEU86D, LYS160B, LYS160D, LYS3B, LYS3D, LYS88B, LYS88D, MET1B, MET1D, MET333B, MET333D, MET341B, MET341D, MET366B, MET366D, PHE328B, PHE332B, PHE332D, PRO112B, PRO112D, PRO121B, PRO121D, PRO336B, PRO336D, PRO83B, PRO83D, SER110B, SER110D, SER115B, SER115D, SER349B, SER349D, SER361B, SER361D, THR368B, THR368D, THR386B, THR386D, THR387B, THR89B, THR89D, TYR142B, TYR142D, TYR393B, TYR393D, TYR84B, TYR84D, VAL109B, VAL109D, VAL122B, VAL122D, VAL143B, VAL143D, VAL335B, VAL335D, VAL352B, VAL352D, VAL365B, VAL365D, VAL388B, VAL388D, VAL389B, VAL389D, VAL87B, VAL87D
• B-E: ALA383B, ARG11B, ARG150E, ARG288B, ASN148E, GLN13B, GLU135E, GLU177E, GLU358B, GLU384B, GLY149E, GLY246B, GLY286B, GLY385B, GLY8B, LYS152E, LYS287B, LYS359B, PRO9B, SER245B, THR10B, VAL147E
• C-D: ARG295C, ARG295D, ASN350C, ASN350D, CYS354C, CYS354D, GLU325C, GLU325D, GLU346C, GLU346D, GLU348C, GLU348D, GLY319C, GLY319D, GLY321C, GLY321D, HIS355C, HIS355D, ILE323C, ILE323D, ILE347C, ILE347D, ILE353C, ILE353D, SER349C, SER349D, THR293C, THR293D, THR320C, THR320D, THR324C, THR324D, THR326D, THR351C, THR351D, VAL294C, VAL322C, VAL322D, VAL352C, VAL352D
• D-F: ARG150D, ARG288F, ASN148D, GLU219D, GLU318F, GLU358F, GLY149D, LYS152D, LYS287F, LYS290F, LYS359F, VAL147D
• E-F: ALA116E, ALA116F, ALA119E, ALA119F, ALA343E, ALA343F, ALA345E, ALA345F, ALA363E, ALA363F, ALA367E, ALA367F, ARG120E, ARG120F, ARG331E, ARG331F, ARG340E, ARG340F, ARG391E, ARG391F, ARG91E, ARG91F, ASN330E, ASN330F, ASN350E, ASN350F, ASP123E, ASP123F, ASP390E, ASP390F, ASP85E, ASP85F, GLN364E, GLN364F, GLU139E, GLU139F, GLU140E, GLU140F, GLU329E, GLU329F, GLU337E, GLU337F, GLU346E, GLU346F, GLU348E, GLU348F, GLU384E, GLU384F, GLU419E, GLU419F, GLY113E, GLY113F, GLY114E, GLY114F, GLY118E, GLY118F, GLY141E, GLY141F, GLY342E, GLY342F, GLY362E, GLY362F, GLY385E, GLY385F, GLY418E, GLY418F, HIS334E, HIS334F, HIS344E, HIS344F, HIS394F, ILE117E, ILE117F, ILE126F, ILE339E, ILE339F, ILE347E, ILE347F, LEU111E, LEU111F, LEU138E, LEU138F, LEU338E, LEU338F, LEU360E, LEU376E, LEU86E, LEU86F, LYS160E, LYS160F, LYS3E, LYS3F, LYS88E, LYS88F, MET1E, MET1F, MET333E, MET333F, MET341E, MET341F, MET366E, MET366F, PHE332E, PHE332F, PRO112E, PRO112F, PRO121E, PRO121F, PRO336E, PRO336F, PRO83E, PRO83F, SER110E, SER110F, SER115E, SER115F, SER349E, SER349F, SER361E, SER361F, THR368E, THR368F, THR386E, THR386F, THR387E, THR89E, THR89F, TYR142E, TYR142F, TYR393E, TYR393F, TYR84E, TYR84F, VAL109E, VAL109F, VAL122E, VAL122F, VAL143E, VAL143F, VAL335E, VAL335F, VAL365E, VAL365F, VAL388E, VAL388F, VAL389E, VAL389F, VAL87E, VAL87F
• E-G: ALA185E, ALA185G, ALA186E, ALA186G, ALA261E, ALA261G, ALA264E, ALA264G, ALA297E, ALA297G, ALA301E, ALA301G, ARG187E, ARG187G, ARG212E, ARG212G, ARG267E, ARG267G, ARG295E, ARG295G, ASN184E, ASN184G, ASP159E, ASP159G, ASP211E, ASP211G, ASP257E, ASP257G, ASP260E, ASP260G, GLU183E, GLU183G, GLU268E, GLU268G, GLY209E, GLY209G, HIS155E, HIS155G, HIS299E, HIS299G, ILE156E, ILE156G, ILE181E, ILE181G, ILE182E, ILE182G, ILE327E, ILE327G, LEU124E, LEU124G, LEU259E, LEU259G, LEU263E, LEU263G, LYS131E, LYS131G, LYS160E, LYS160G, LYS265E, LYS265G, MET158E, MET158G, PHE127E, PHE127G, PHE302E, PHE302G, PRO256G, PRO298E, PRO298G, PRO300E, PRO300G, SER349E, SER349G, THR210E, THR210G, THR258E, THR258G, THR293E, THR293G, THR296E, THR296G, THR324E, THR324G, THR326E, THR326G, VAL157E, VAL157G, VAL161E, VAL161G, VAL262E, VAL262G, VAL292E, VAL294E, VAL294G
• E-H: ARG295E, ARG295H, ASN350E, ASN350H, CYS354E, CYS354H, GLU325E, GLU325H, GLU346E, GLU346H, GLU348E, GLU348H, GLY319E, GLY319H, GLY321E, GLY321H, HIS355E, HIS355H, ILE323E, ILE323H, ILE347E, ILE347H, ILE353E, ILE353H, SER349E, SER349H, THR293E, THR293H, THR320E, THR320H, THR324E, THR324H, THR326H, THR351E, THR351H, VAL294E, VAL294H, VAL322E, VAL322H, VAL352E, VAL352H
• F-G: ARG295F, ARG295G, ASN350F, ASN350G, CYS354F, CYS354G, GLU325F, GLU325G, GLU346F, GLU346G, GLU348F, GLU348G, GLY319F, GLY319G, GLY321F, GLY321G, HIS355F, HIS355G, ILE323F, ILE323G, ILE347F, ILE347G, ILE353F, ILE353G, SER349F, SER349G, THR293F, THR293G, THR320F, THR320G, THR324F, THR324G, THR326F, THR351F, THR351G, VAL294F, VAL294G, VAL322F, VAL322G, VAL352F, VAL352G
• F-H: ALA185F, ALA185H, ALA186F, ALA186H, ALA261F, ALA261H, ALA264F, ALA264H, ALA297F, ALA297H, ALA301F, ALA301H, ARG187F, ARG187H, ARG212F, ARG212H, ARG267F, ARG267H, ARG295F, ARG295H, ASN184F, ASN184H, ASP159F, ASP159H, ASP211F, ASP211H, ASP257F, ASP257H, ASP260F, ASP260H, GLU183F, GLU183H, GLU188F, GLU188H, GLU268F, GLU268H, GLY207F, GLY207H, GLY209F, GLY209H, HIS155F, HIS155H, HIS299F, HIS299H, ILE156F, ILE156H, ILE181F, ILE181H, ILE182F, ILE182H, ILE213F, ILE213H, ILE327F, ILE327H, LEU124F, LEU124H, LEU259F, LEU259H, LEU263F, LEU263H, LYS131F, LYS131H, LYS160F, LYS160H, LYS265F, LYS265H, MET158F, MET158H, PHE127F, PHE127H, PHE302F, PHE302H, PRO256F, PRO256H, PRO298F, PRO298H, PRO300F, PRO300H, PRO303F, PRO303H, SER349F, SER349H, THR210F, THR210H, THR258F, THR258H, THR293F, THR293H, THR296F, THR296H, THR324F, THR324H, THR326F, THR326H, VAL157F, VAL157H, VAL161F, VAL161H, VAL262F, VAL262H, VAL294F, VAL294H
• G-H: ALA116G, ALA116H, ALA119G, ALA119H, ALA343G, ALA343H, ALA345G, ALA345H, ALA363G, ALA363H, ALA367G, ARG120G, ARG120H, ARG331G, ARG331H, ARG340G, ARG340H, ARG391G, ARG391H, ARG91G, ARG91H, ASN330G, ASN330H, ASN350G, ASN350H, ASP123G, ASP123H, ASP390G, ASP390H, ASP85G, ASP85H, GLN364G, GLN364H, GLU139G, GLU139H, GLU140G, GLU140H, GLU329G, GLU329H, GLU337G, GLU337H, GLU346G, GLU346H, GLU348G, GLU348H, GLU384G, GLU384H, GLU419G, GLU419H, GLY113G, GLY113H, GLY114G, GLY114H, GLY118G, GLY118H, GLY141G, GLY141H, GLY342G, GLY342H, GLY362G, GLY362H, GLY385G, GLY385H, GLY418H, HIS334G, HIS334H, HIS344G, HIS344H, ILE117G, ILE117H, ILE126G, ILE126H, ILE339G, ILE339H, ILE347G, ILE347H, LEU111G, LEU111H, LEU138G, LEU138H, LEU338G, LEU338H, LEU376H, LYS160G, LYS160H, LYS3G, LYS3H, LYS88G, LYS88H, MET1G, MET1H, MET333G, MET333H, MET341G, MET341H, MET366G, MET366H, PHE332G, PHE332H, PRO112G, PRO112H, PRO121G, PRO121H, PRO336G, PRO336H, PRO83G, PRO83H, SER110G, SER110H, SER115G, SER115H, SER349G, SER349H, SER361G, SER361H, THR368G, THR368H, THR386G, THR386H, THR387H, THR89G, THR89H, TYR142G, TYR142H, TYR393G, TYR393H, TYR84G, TYR84H, VAL109G, VAL109H, VAL122G, VAL122H, VAL143G, VAL143H, VAL335G, VAL335H, VAL352G, VAL352H, VAL365G, VAL365H, VAL388G, VAL388H, VAL389G, VAL389H, VAL87G, VAL87H