1ZOF

crystal structure of alkyl hydroperoxide-reductase (ahpc) from helicobacter pylori

• Total interactions analyzed: 45
• Total true interactions: 15
• Strongest Interaction:
  • Chains: H-I
  • Int. Res.: 84
  • Norm. En. per Res.: -2.4139
• Hub Node: B(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	-96.1488	-78.0147	310.64	136.4766	147	55	16	18151	8	44	34
A-J	-7.9144	-0.4345	-187.495	-195.8439	84	10	9	8986	2	29	31
B-C	-9.4063	1.2698	-195.935	-204.0715	85	13	11	9227	1	30	31
B-D	0.0	0.0	-0.1463	-0.1463	4	0	0	43	0	0	0
B-J	0.0	0.0	-0.1275	-0.1275	4	0	0	40	0	0	0
C-D	-90.0223	-73.8728	326.501	162.6058	148	44	15	18080	8	45	33
D-E	-12.0763	-2.3079	-180.934	-195.3183	84	12	9	9045	2	31	31
D-F	0.0	0.0	-0.1087	-0.1087	4	0	0	38	0	0	0
E-F	-103.1916	-72.6815	341.285	165.4119	149	50	16	18141	8	44	34
F-G	-8.5667	-0.7562	-175.723	-185.0459	84	13	8	8720	1	29	30
F-H	0.0	0.0	-0.1051	-0.1051	4	0	0	37	0	0	0
G-H	-95.2926	-76.9502	359.994	187.7512	148	50	16	18139	8	44	33
H-I	-10.9389	-0.3017	-191.531	-202.7717	84	13	10	9115	2	30	31
H-J	0.0	0.0	-0.1219	-0.1219	4	0	0	42	0	0	0
I-J	-95.3761	-74.6052	319.657	149.6756	147	58	16	18149	8	44	34

Interface residues

• A-B: ALA122B, ALA126A, ALA126B, ALA138A, ALA138B, ALA149A, ALA158A, ALA158B, ALA171B, ALA55A, ALA55B, ARG111A, ARG111B, ARG124A, ARG124B, ARG136A, ARG136B, ARG147A, ARG147B, ARG154A, ARG154B, ARG174B, ARG59A, ARG59B, ASN141A, ASN141B, ASN148A, ASN148B, ASP114A, ASP114B, ASP130A, ASP130B, ASP142A, ASP142B, ASP150A, ASP150B, ASP157A, ASP157B, ASP44A, CYS169A, CYS169B, CYS49A, CYS49B, GLU118A, GLU118B, GLU119A, GLU119B, GLU151A, GLU151B, GLU163A, GLU163B, GLU167A, GLU167B, GLU52A, GLU90A, GLY125A, GLY125B, GLY146A, GLY146B, GLY166A, GLY166B, GLY172B, GLY92A, GLY93A, HIS137A, HIS137B, HIS161A, HIS161B, ILE121A, ILE121B, ILE140A, ILE140B, ILE54A, ILE54B, ILE94A, LEU116A, LEU116B, LEU123A, LEU123B, LEU128A, LEU128B, LEU143A, LEU143B, LEU145A, LEU145B, LEU159A, LEU159B, LEU160A, LEU160B, LYS134A, LYS134B, LYS175B, LYS58A, LYS58B, LYS5A, LYS5B, LYS91A, MET152A, MET152B, MET155A, MET155B, MET1A, MET1B, PHE117A, PHE117B, PHE127A, PHE127B, PHE162A, PHE162B, PHE45A, PHE47A, PRO144A, PRO144B, PRO170A, PRO170B, PRO50A, PRO50B, PRO88A, SER110B, THR46A, THR4A, THR4B, THR51A, THR51B, THR87A, TRP173B, TRP84A, TYR113A, TYR113B, VAL115A, VAL115B, VAL135A, VAL135B, VAL139A, VAL139B, VAL156A, VAL156B, VAL168A, VAL168B, VAL2A, VAL2B, VAL3A, VAL3B, VAL48A, VAL48B, VAL89A, VAL89B
• A-J: ALA103A, ALA103J, ALA120A, ALA120J, ALA122A, ALA122J, ALA83A, ALA83J, ARG111A, ARG111J, ASN19A, ASN19J, ASN86A, ASN86J, ASP104A, ASP104J, ASP44A, ASP44J, ASP76A, ASP76J, GLN79A, GLN79J, GLU118A, GLU118J, GLU119A, GLU119J, GLU23A, GLU78A, GLU78J, GLY92A, GLY92J, GLY93A, GLY93J, HIS81A, HIS81J, ILE105A, ILE105J, ILE121A, ILE121J, ILE75A, ILE75J, LEU116A, LEU116J, LYS107A, LYS107J, LYS43A, LYS43J, LYS91A, LYS91J, PHE117A, PHE117J, PHE45A, PHE45J, PHE47A, PHE47J, PHE82A, PHE82J, PRO13A, PRO13J, PRO42A, PRO42J, PRO88A, PRO88J, SER108A, SER108J, SER74A, SER77A, SER77J, THR106A, THR106J, THR46A, THR46J, THR87A, THR87J, TRP84A, TRP84J, VAL15A, VAL15J, VAL21A, VAL21J, VAL48A, VAL48J, VAL80A, VAL80J
• B-C: ALA103B, ALA103C, ALA120B, ALA120C, ALA122B, ALA122C, ALA83B, ALA83C, ARG111B, ARG111C, ASN19B, ASN19C, ASN86B, ASN86C, ASP104B, ASP104C, ASP44B, ASP44C, ASP76B, ASP76C, GLN79B, GLN79C, GLU118B, GLU118C, GLU119B, GLU119C, GLU23C, GLU78B, GLU78C, GLY92B, GLY92C, GLY93B, GLY93C, HIS81B, HIS81C, ILE105B, ILE105C, ILE121B, ILE121C, ILE75B, ILE75C, LEU116B, LEU116C, LYS107B, LYS107C, LYS43B, LYS43C, LYS85B, LYS91B, LYS91C, PHE117B, PHE117C, PHE45B, PHE45C, PHE47B, PHE47C, PHE82B, PHE82C, PRO13B, PRO13C, PRO42B, PRO42C, PRO88B, PRO88C, SER108B, SER108C, SER74B, SER77B, SER77C, THR106B, THR106C, THR46B, THR46C, THR87B, THR87C, TRP84B, TRP84C, VAL15B, VAL15C, VAL21B, VAL21C, VAL48B, VAL48C, VAL80B, VAL80C
• B-D: ALA83B, ARG174D, GLN79B, PHE82B
• B-J: ALA83J, ARG174B, GLN79J, PHE82J
• C-D: ALA122C, ALA122D, ALA126C, ALA126D, ALA138C, ALA138D, ALA149C, ALA158C, ALA158D, ALA171D, ALA55C, ALA55D, ARG111C, ARG111D, ARG124C, ARG124D, ARG136C, ARG136D, ARG147C, ARG147D, ARG154C, ARG154D, ARG174D, ARG59C, ARG59D, ASN141C, ASN141D, ASN148C, ASN148D, ASP114C, ASP114D, ASP130C, ASP130D, ASP142C, ASP142D, ASP150C, ASP150D, ASP157C, ASP157D, ASP44C, CYS169C, CYS169D, CYS49C, CYS49D, GLU118C, GLU118D, GLU119C, GLU119D, GLU151C, GLU151D, GLU163C, GLU163D, GLU167C, GLU167D, GLU52C, GLU90C, GLY125C, GLY125D, GLY146C, GLY146D, GLY166C, GLY166D, GLY172D, GLY92C, GLY93C, HIS137C, HIS137D, HIS161C, HIS161D, ILE121C, ILE121D, ILE140C, ILE140D, ILE54C, ILE54D, ILE94C, LEU116C, LEU116D, LEU123C, LEU123D, LEU128C, LEU128D, LEU143C, LEU143D, LEU145C, LEU145D, LEU159C, LEU159D, LEU160C, LEU160D, LYS134C, LYS134D, LYS175D, LYS58C, LYS58D, LYS5C, LYS5D, LYS91C, MET152C, MET152D, MET155C, MET155D, MET1C, MET1D, PHE117C, PHE117D, PHE127C, PHE127D, PHE162C, PHE162D, PHE45C, PHE47C, PRO144C, PRO144D, PRO170C, PRO170D, PRO50C, PRO50D, PRO88C, SER110D, THR46C, THR4C, THR4D, THR51C, THR51D, THR87C, TRP173D, TRP84C, TYR113C, TYR113D, VAL115C, VAL115D, VAL135C, VAL135D, VAL139C, VAL139D, VAL156C, VAL156D, VAL168C, VAL168D, VAL2C, VAL2D, VAL3C, VAL3D, VAL48C, VAL48D, VAL89C, VAL89D
• D-E: ALA103D, ALA103E, ALA120D, ALA120E, ALA122D, ALA122E, ALA83D, ALA83E, ARG111D, ARG111E, ASN19D, ASN19E, ASN86D, ASN86E, ASP104D, ASP104E, ASP44D, ASP44E, ASP76D, ASP76E, GLN79D, GLN79E, GLU118D, GLU118E, GLU119D, GLU119E, GLU23E, GLU78D, GLU78E, GLY92D, GLY92E, GLY93D, GLY93E, HIS81D, HIS81E, ILE105D, ILE105E, ILE121D, ILE121E, ILE75D, ILE75E, LEU116D, LEU116E, LYS107D, LYS107E, LYS43D, LYS43E, LYS91D, LYS91E, PHE117D, PHE117E, PHE45D, PHE45E, PHE47D, PHE47E, PHE82D, PHE82E, PRO13D, PRO13E, PRO42D, PRO42E, PRO88D, PRO88E, SER108D, SER108E, SER74D, SER77D, SER77E, THR106D, THR106E, THR46D, THR46E, THR87D, THR87E, TRP84D, TRP84E, VAL15D, VAL15E, VAL21D, VAL21E, VAL48D, VAL48E, VAL80D, VAL80E
• D-F: ALA83D, ARG174F, GLN79D, PHE82D
• E-F: ALA122E, ALA122F, ALA126E, ALA126F, ALA138E, ALA138F, ALA149E, ALA158E, ALA158F, ALA171F, ALA55E, ALA55F, ARG111E, ARG111F, ARG124E, ARG124F, ARG136E, ARG136F, ARG147E, ARG147F, ARG154E, ARG154F, ARG174F, ARG59E, ARG59F, ASN141E, ASN141F, ASN148E, ASN148F, ASP114E, ASP114F, ASP130E, ASP130F, ASP142E, ASP142F, ASP150E, ASP150F, ASP157E, ASP157F, ASP44E, CYS169E, CYS169F, CYS49E, CYS49F, GLU118E, GLU118F, GLU119E, GLU119F, GLU151E, GLU151F, GLU163E, GLU163F, GLU167E, GLU167F, GLU52E, GLU90E, GLY125E, GLY125F, GLY146E, GLY146F, GLY166E, GLY166F, GLY172F, GLY92E, GLY93E, HIS137E, HIS137F, HIS161E, HIS161F, ILE121E, ILE121F, ILE140E, ILE140F, ILE54E, ILE54F, ILE94E, ILE94F, LEU116E, LEU116F, LEU123E, LEU123F, LEU128E, LEU128F, LEU143E, LEU143F, LEU145E, LEU145F, LEU159E, LEU159F, LEU160E, LEU160F, LYS134E, LYS134F, LYS175F, LYS58E, LYS58F, LYS5E, LYS5F, LYS91E, MET152E, MET152F, MET155E, MET155F, MET1E, MET1F, PHE117E, PHE117F, PHE127E, PHE127F, PHE162E, PHE162F, PHE45E, PHE47E, PRO144E, PRO144F, PRO170E, PRO170F, PRO50E, PRO50F, PRO88E, SER110F, THR46E, THR4E, THR4F, THR51E, THR51F, THR87E, TRP173F, TRP84E, TYR113E, TYR113F, VAL115E, VAL115F, VAL135E, VAL135F, VAL139E, VAL139F, VAL156E, VAL156F, VAL168E, VAL168F, VAL2E, VAL2F, VAL3E, VAL3F, VAL48E, VAL48F, VAL89E, VAL89F
• F-G: ALA103F, ALA103G, ALA120F, ALA120G, ALA122F, ALA122G, ALA83F, ALA83G, ARG111F, ARG111G, ASN19F, ASN19G, ASN86F, ASN86G, ASP104F, ASP104G, ASP44F, ASP44G, ASP76F, ASP76G, GLN79F, GLN79G, GLU118F, GLU118G, GLU119F, GLU119G, GLU23G, GLU78F, GLU78G, GLY92F, GLY92G, GLY93F, GLY93G, HIS81F, HIS81G, ILE105F, ILE105G, ILE121F, ILE121G, ILE75F, ILE75G, LEU116F, LEU116G, LYS107F, LYS107G, LYS43F, LYS43G, LYS91F, LYS91G, PHE117F, PHE117G, PHE45F, PHE45G, PHE47F, PHE47G, PHE82F, PHE82G, PRO13F, PRO13G, PRO42F, PRO42G, PRO88F, PRO88G, SER108F, SER108G, SER74F, SER77F, SER77G, THR106F, THR106G, THR46F, THR46G, THR87F, THR87G, TRP84F, TRP84G, VAL15F, VAL15G, VAL21F, VAL21G, VAL48F, VAL48G, VAL80F, VAL80G
• F-H: ALA83F, ARG174H, GLN79F, PHE82F
• G-H: ALA122H, ALA126G, ALA126H, ALA138G, ALA138H, ALA149G, ALA158G, ALA158H, ALA171H, ALA55G, ALA55H, ARG111G, ARG111H, ARG124G, ARG124H, ARG136G, ARG136H, ARG147G, ARG147H, ARG154G, ARG154H, ARG174H, ARG59G, ARG59H, ASN141G, ASN141H, ASN148G, ASN148H, ASP114G, ASP114H, ASP130G, ASP130H, ASP142G, ASP142H, ASP150G, ASP150H, ASP157G, ASP157H, ASP44G, CYS169G, CYS169H, CYS49G, CYS49H, GLU118G, GLU118H, GLU119G, GLU119H, GLU151G, GLU151H, GLU163G, GLU163H, GLU167G, GLU167H, GLU52G, GLU90G, GLY125G, GLY125H, GLY146G, GLY146H, GLY166G, GLY166H, GLY172H, GLY92G, GLY93G, HIS137G, HIS137H, HIS161G, HIS161H, ILE121G, ILE121H, ILE140G, ILE140H, ILE54G, ILE54H, ILE94G, ILE94H, LEU116G, LEU116H, LEU123G, LEU123H, LEU128G, LEU128H, LEU143G, LEU143H, LEU145G, LEU145H, LEU159G, LEU159H, LEU160G, LEU160H, LYS134G, LYS134H, LYS175H, LYS58G, LYS58H, LYS5G, LYS5H, LYS91G, MET152G, MET152H, MET155G, MET155H, MET1G, MET1H, PHE117G, PHE117H, PHE127G, PHE127H, PHE162G, PHE162H, PHE45G, PHE47G, PRO144G, PRO144H, PRO170G, PRO170H, PRO50G, PRO50H, PRO88G, SER110H, THR46G, THR4G, THR4H, THR51G, THR51H, THR87G, TRP173H, TRP84G, TYR113G, TYR113H, VAL115G, VAL115H, VAL135G, VAL135H, VAL139G, VAL139H, VAL156G, VAL156H, VAL168G, VAL168H, VAL2G, VAL2H, VAL3G, VAL3H, VAL48G, VAL48H, VAL89G, VAL89H
• H-I: ALA103H, ALA103I, ALA120H, ALA120I, ALA122H, ALA122I, ALA83H, ALA83I, ARG111H, ARG111I, ASN19H, ASN19I, ASN86H, ASN86I, ASP104H, ASP104I, ASP44H, ASP44I, ASP76H, ASP76I, GLN79H, GLN79I, GLU118H, GLU118I, GLU119H, GLU119I, GLU23I, GLU78H, GLU78I, GLY92H, GLY93H, GLY93I, HIS81H, HIS81I, ILE105H, ILE105I, ILE121H, ILE121I, ILE75H, ILE75I, LEU116H, LEU116I, LYS107H, LYS107I, LYS43H, LYS43I, LYS91H, LYS91I, PHE117H, PHE117I, PHE45H, PHE45I, PHE47H, PHE47I, PHE82H, PHE82I, PRO13H, PRO13I, PRO42H, PRO42I, PRO88H, PRO88I, SER108H, SER108I, SER74H, SER74I, SER77H, SER77I, THR106H, THR106I, THR46H, THR46I, THR87H, THR87I, TRP84H, TRP84I, VAL15H, VAL15I, VAL21H, VAL21I, VAL48H, VAL48I, VAL80H, VAL80I
• H-J: ALA83H, ARG174J, GLN79H, PHE82H
• I-J: ALA122J, ALA126I, ALA126J, ALA138I, ALA138J, ALA149I, ALA158I, ALA158J, ALA171J, ALA55I, ALA55J, ARG111I, ARG111J, ARG124I, ARG124J, ARG136I, ARG136J, ARG147I, ARG147J, ARG154I, ARG154J, ARG174J, ARG59I, ARG59J, ASN141I, ASN141J, ASN148I, ASN148J, ASP114I, ASP114J, ASP130I, ASP130J, ASP142I, ASP142J, ASP150I, ASP150J, ASP157I, ASP157J, ASP44I, CYS169I, CYS169J, CYS49I, CYS49J, GLU118I, GLU118J, GLU119I, GLU119J, GLU151I, GLU151J, GLU163I, GLU163J, GLU167I, GLU167J, GLU52I, GLU90I, GLY125I, GLY125J, GLY146I, GLY146J, GLY166I, GLY166J, GLY172J, GLY92I, GLY93I, HIS137I, HIS137J, HIS161I, HIS161J, ILE121I, ILE121J, ILE140I, ILE140J, ILE54I, ILE54J, ILE94I, LEU116I, LEU116J, LEU123I, LEU123J, LEU128I, LEU128J, LEU143I, LEU143J, LEU145I, LEU145J, LEU159I, LEU159J, LEU160I, LEU160J, LYS134I, LYS134J, LYS175J, LYS58I, LYS58J, LYS5I, LYS5J, LYS91I, MET152I, MET152J, MET155I, MET155J, MET1I, MET1J, PHE117I, PHE117J, PHE127I, PHE127J, PHE162I, PHE162J, PHE45I, PHE47I, PRO144I, PRO144J, PRO170I, PRO170J, PRO50I, PRO50J, PRO88I, SER110J, THR46I, THR4I, THR4J, THR51I, THR51J, THR87I, TRP173J, TRP84I, TYR113I, TYR113J, VAL115I, VAL115J, VAL135I, VAL135J, VAL139I, VAL139J, VAL156I, VAL156J, VAL168I, VAL168J, VAL2I, VAL2J, VAL3I, VAL3J, VAL48I, VAL48J, VAL89I, VAL89J