2E2L

helicobacter pylori formamidase amif contains a fine-tuned cysteine- glutamate-lysine catalytic triad

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 293
  • Norm. En. per Res.: -5.3434
• 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	-162.2349	-77.0897	-1350.28	-1589.6046	298	71	28	51997	10	111	120
A-D	-21.1587	0.6171	-111.796	-132.3377	64	9	0	4389	0	10	8
A-E	-11.2234	-4.8759	-90.3658	-106.4651	59	6	0	3479	0	8	6
A-F	0.0	0.0	-10.1457	-10.1457	42	0	0	898	0	4	5
B-C	-21.775	-13.8156	-98.8603	-134.4509	59	10	0	4267	0	10	8
B-D	0.0	0.0	-14.9329	-14.9329	45	1	0	1209	0	4	7
B-F	-17.2548	-25.068	-102.888	-145.2109	60	9	0	4220	1	10	7
C-D	-158.5668	-84.6624	-1322.38	-1565.6093	293	66	28	51752	9	112	118
C-E	0.0	0.0	-11.3968	-11.3968	42	0	0	947	0	4	5
C-F	0.0	-9.6604	-106.946	-116.6064	63	9	0	4230	0	10	8
D-E	-24.1255	-12.3713	-105.793	-142.2898	59	5	0	4127	1	8	6
E-F	-141.1982	-88.0472	-1336.45	-1565.6954	297	60	27	51443	8	110	123

Interface residues

• A-B: ALA175A, ALA175B, ALA178A, ALA178B, ALA179A, ALA179B, ALA208A, ALA208B, ALA266A, ALA266B, ALA286A, ALA286B, ALA294A, ALA294B, ALA303A, ALA303B, ALA304A, ALA304B, ARG132A, ARG132B, ARG176A, ARG176B, ARG188A, ARG188B, ARG205A, ARG205B, ARG267A, ARG267B, ARG282A, ARG282B, ARG331A, ARG331B, ASN107A, ASN107B, ASN111A, ASN111B, ASN113A, ASN113B, ASN138A, ASN138B, ASN184A, ASN184B, ASN197A, ASN197B, ASN204A, ASN204B, ASN207A, ASN207B, ASN211A, ASN211B, ASN237A, ASN237B, ASN265A, ASN265B, ASN274A, ASN274B, ASN275A, ASN275B, ASN278A, ASN278B, ASP147A, ASP147B, ASP168A, ASP168B, ASP198A, ASP198B, ASP239A, ASP239B, ASP264A, ASP264B, ASP293A, ASP293B, ASP301A, ASP301B, ASP313A, ASP313B, ASP319A, ASP319B, CYS183A, CYS183B, CYS236A, CYS236B, GLN195A, GLN195B, GLN199A, GLN199B, GLN234A, GLN234B, GLU141A, GLU141B, GLU173A, GLU173B, GLU177A, GLU177B, GLU273A, GLU273B, GLU291A, GLU291B, GLU312A, GLU312B, GLY146A, GLY146B, GLY149A, GLY149B, GLY169A, GLY169B, GLY182A, GLY182B, GLY240A, GLY240B, GLY271A, GLY271B, GLY280A, GLY280B, GLY283A, GLY283B, GLY289A, GLY289B, GLY290A, GLY290B, GLY295A, GLY295B, GLY305A, GLY305B, GLY320A, GLY320B, GLY324A, GLY324B, GLY329A, GLY329B, GLY330A, GLY330B, HIS167A, HIS167B, HIS210A, HIS210B, HIS281A, HIS281B, HIS292A, HIS292B, HIS314A, HIS314B, ILE140A, ILE140B, ILE171A, ILE171B, ILE201A, ILE201B, ILE276A, ILE276B, ILE299A, ILE299B, ILE317A, ILE317B, ILE322A, ILE322B, LEU134A, LEU134B, LEU148A, LEU148B, LEU174A, LEU174B, LEU202A, LEU202B, LEU212A, LEU212B, LEU268A, LEU268B, LEU272A, LEU272B, LEU279A, LEU279B, LEU296A, LEU296B, LEU302A, LEU302B, LEU309A, LEU309B, LEU72A, LEU72B, LYS112A, LYS112B, LYS133A, LYS133B, LYS160A, LYS160B, LYS181A, LYS181B, LYS261A, LYS287A, LYS287B, LYS300A, LYS300B, LYS306A, LYS306B, LYS308A, LYS308B, LYS316A, LYS316B, LYS318A, LYS318B, MET150A, MET150B, MET170A, MET170B, MET213A, MET213B, MET315A, MET315B, PHE135A, PHE135B, PHE238A, PHE238B, PHE332A, PHE332B, PRO114A, PRO114B, PRO136A, PRO136B, PRO139A, PRO139B, PRO142A, PRO142B, PRO145A, PRO145B, PRO172A, PRO172B, PRO288A, PRO288B, PRO310A, PRO310B, PRO326A, PRO326B, SER166A, SER166B, SER193B, SER206A, SER206B, SER269A, SER269B, SER321A, SER321B, THR194A, THR194B, THR203A, THR203B, THR241A, THR241B, THR242A, THR242B, THR297A, THR297B, THR327A, THR327B, THR328A, THR328B, TRP137A, TRP137B, TRP143A, TRP143B, TRP200A, TRP200B, TRP209A, TRP209B, TRP270A, TRP270B, TRP311A, TRP311B, TRP71A, TRP71B, TYR115A, TYR115B, TYR131A, TYR131B, TYR144A, TYR144B, TYR180A, TYR180B, TYR192A, TYR192B, TYR277A, TYR277B, TYR284A, TYR284B, TYR298A, TYR298B, TYR307A, TYR307B, TYR323A, TYR323B, TYR325A, TYR325B, VAL152A, VAL152B, VAL196A, VAL196B, VAL285A, VAL285B
• A-D: ALA17D, ALA18D, ALA221A, ALA221D, ALA48D, ARG248A, ARG248D, ASN197A, ASN249A, ASN249D, ASP198A, GLN195A, GLN199A, GLN20D, GLN245A, GLN245D, GLU232A, GLU252A, GLU252D, GLU257D, GLY231A, GLY246A, GLY246D, GLY256D, GLY324A, GLY49D, GLY52D, HIS247A, HIS247D, ILE140A, ILE201A, ILE235D, ILE253D, ILE317A, ILE322A, LEU15D, LEU243D, LYS47D, PHE230A, PRO139A, PRO22D, PRO250A, PRO250D, PRO51D, SER321A, THR194A, THR242D, THR255D, THR46D, THR68A, TRP137A, TRP251D, TYR192A, TYR228A, TYR228D, TYR229A, TYR229D, TYR323A, TYR50D, VAL16D, VAL196A, VAL244D, VAL254D, VAL53D
• A-E: ALA17A, ALA18A, ALA221A, ALA221E, ALA48A, ARG248A, ASN197E, ASN249A, ASN249E, ASP198E, GLN195E, GLN199E, GLN20A, GLN245A, GLN245E, GLU232E, GLU252A, GLU252E, GLY231E, GLY246A, GLY246E, GLY256A, GLY49A, GLY52A, HIS247A, HIS247E, ILE140E, ILE201E, ILE235A, ILE253A, ILE317E, ILE322E, LEU15A, LEU243A, LYS47A, PHE230E, PRO139E, PRO22A, PRO250A, PRO250E, PRO51A, THR194E, THR242A, THR255A, THR46A, THR68E, TRP137E, TRP251A, TYR192E, TYR228A, TYR228E, TYR229A, TYR229E, TYR323E, TYR50A, VAL16A, VAL196E, VAL244A, VAL254A
• A-F: ALA266A, ALA266F, ASN237A, ASN237F, ASN265A, ASN265F, ASP239A, ASP239F, GLU257A, GLU257F, GLU273A, GLU273F, GLY13A, GLY13F, GLY49A, GLY49F, LEU15A, LEU15F, LEU243A, LEU243F, LEU272A, LEU272F, LYS261F, MET262A, MET262F, PHE238A, PHE238F, PRO51A, PRO51F, SER269A, THR241A, THR241F, THR242A, THR242F, TRP270A, TRP270F, TYR214A, TYR259A, TYR259F, TYR50A, TYR50F, VAL244A
• B-C: ALA17B, ALA18B, ALA221C, ALA48B, ARG248B, ARG248C, ASN197C, ASN249B, ASN249C, ASP198C, GLN195C, GLN199C, GLN20B, GLN245B, GLN245C, GLU232C, GLU252B, GLU252C, GLU257B, GLY231C, GLY246B, GLY246C, GLY256B, GLY324C, GLY49B, GLY52B, HIS247B, HIS247C, ILE140C, ILE201C, ILE235B, ILE253B, ILE322C, LEU15B, LEU243B, LYS47B, PHE230C, PRO139C, PRO22B, PRO250B, PRO250C, PRO51B, THR194C, THR242B, THR255B, THR68C, TRP137C, TRP251B, TYR192C, TYR228B, TYR228C, TYR229B, TYR229C, TYR323C, TYR50B, VAL16B, VAL196C, VAL244B, VAL254B
• B-D: ALA266B, ALA266D, ASN237B, ASN237D, ASN265B, ASN265D, ASP239B, ASP239D, GLU257B, GLU257D, GLU273B, GLU273D, GLY13B, GLY13D, GLY49B, GLY49D, LEU15B, LEU15D, LEU243B, LEU243D, LEU272B, LEU272D, LYS261B, LYS261D, MET262B, MET262D, PHE238B, PHE238D, PRO51B, PRO51D, SER269B, SER269D, THR241B, THR241D, THR242B, THR242D, TRP270B, TRP270D, TYR214B, TYR259B, TYR259D, TYR50B, TYR50D, VAL244B, VAL244D
• B-F: ALA17F, ALA18F, ALA221B, ALA221F, ALA48F, ARG248B, ARG248F, ASN197B, ASN249B, ASN249F, ASP198B, GLN195B, GLN199B, GLN20F, GLN245B, GLN245F, GLU232B, GLU252B, GLU252F, GLY231B, GLY233F, GLY246B, GLY246F, GLY256F, GLY49F, GLY52F, HIS247B, HIS247F, ILE140B, ILE201B, ILE235F, ILE253F, ILE322B, LEU15F, LEU243F, LYS47F, PHE230B, PRO139B, PRO22F, PRO250B, PRO250F, PRO51F, THR194B, THR242F, THR255F, THR46F, THR68B, TRP137B, TRP251F, TYR192B, TYR228B, TYR228F, TYR229B, TYR229F, TYR323B, TYR50F, VAL16F, VAL196B, VAL244F, VAL254F
• C-D: ALA175C, ALA175D, ALA178C, ALA178D, ALA179C, ALA179D, ALA208C, ALA208D, ALA266C, ALA266D, ALA286C, ALA286D, ALA294C, ALA294D, ALA303C, ALA303D, ALA304C, ALA304D, ARG132C, ARG132D, ARG176C, ARG176D, ARG188C, ARG188D, ARG205C, ARG205D, ARG267C, ARG267D, ARG282C, ARG282D, ARG331C, ARG331D, ASN107C, ASN107D, ASN111C, ASN111D, ASN113C, ASN113D, ASN138C, ASN138D, ASN184C, ASN184D, ASN197C, ASN204C, ASN204D, ASN207C, ASN207D, ASN211C, ASN211D, ASN237C, ASN237D, ASN265C, ASN265D, ASN274C, ASN274D, ASN275C, ASN275D, ASN278C, ASN278D, ASP147C, ASP147D, ASP168C, ASP168D, ASP198C, ASP198D, ASP239C, ASP239D, ASP264C, ASP264D, ASP293C, ASP293D, ASP301C, ASP301D, ASP313C, ASP313D, ASP319C, ASP319D, CYS183C, CYS183D, CYS236C, CYS236D, GLN195C, GLN195D, GLN199C, GLN199D, GLN234C, GLN234D, GLU141C, GLU141D, GLU173C, GLU173D, GLU177C, GLU177D, GLU273C, GLU273D, GLU291C, GLU291D, GLU312C, GLU312D, GLY146C, GLY146D, GLY149C, GLY149D, GLY169C, GLY169D, GLY182C, GLY182D, GLY240C, GLY240D, GLY271C, GLY271D, GLY280C, GLY280D, GLY283C, GLY283D, GLY289C, GLY289D, GLY290C, GLY290D, GLY295C, GLY295D, GLY305C, GLY305D, GLY320C, GLY320D, GLY324C, GLY324D, GLY329C, GLY329D, GLY330C, GLY330D, HIS167C, HIS167D, HIS210C, HIS210D, HIS281C, HIS281D, HIS292C, HIS292D, HIS314C, HIS314D, ILE140C, ILE140D, ILE171C, ILE171D, ILE201C, ILE201D, ILE276C, ILE276D, ILE299C, ILE299D, ILE317C, ILE317D, ILE322C, ILE322D, LEU134C, LEU134D, LEU148C, LEU148D, LEU174C, LEU174D, LEU202C, LEU202D, LEU212C, LEU212D, LEU268C, LEU268D, LEU272C, LEU272D, LEU279C, LEU279D, LEU296C, LEU296D, LEU302C, LEU302D, LEU309C, LEU309D, LEU72C, LEU72D, LYS112C, LYS112D, LYS133C, LYS133D, LYS160C, LYS160D, LYS181C, LYS181D, LYS287C, LYS287D, LYS300C, LYS300D, LYS306C, LYS306D, LYS308C, LYS308D, LYS316C, LYS316D, LYS318C, LYS318D, MET150C, MET150D, MET170C, MET170D, MET213C, MET213D, MET315C, MET315D, PHE135C, PHE135D, PHE238C, PHE238D, PHE332C, PHE332D, PRO114C, PRO114D, PRO136C, PRO136D, PRO139C, PRO139D, PRO142C, PRO142D, PRO145C, PRO145D, PRO172C, PRO172D, PRO288C, PRO288D, PRO310C, PRO310D, PRO326C, PRO326D, SER206C, SER206D, SER269C, SER269D, SER321C, SER321D, THR194C, THR194D, THR203C, THR203D, THR241C, THR241D, THR242C, THR242D, THR297C, THR297D, THR327C, THR327D, THR328C, THR328D, TRP137C, TRP137D, TRP143C, TRP143D, TRP200C, TRP200D, TRP209C, TRP209D, TRP270C, TRP270D, TRP311C, TRP311D, TRP71C, TRP71D, TYR115C, TYR115D, TYR131C, TYR131D, TYR144C, TYR144D, TYR180C, TYR180D, TYR192C, TYR192D, TYR277C, TYR277D, TYR284C, TYR284D, TYR298C, TYR298D, TYR307C, TYR307D, TYR323C, TYR323D, TYR325C, TYR325D, VAL152C, VAL152D, VAL196C, VAL196D, VAL285C, VAL285D
• C-E: ALA266C, ALA266E, ASN237C, ASN237E, ASN265C, ASN265E, ASP239C, ASP239E, GLU257C, GLU257E, GLU273C, GLY13C, GLY13E, GLY49C, GLY49E, LEU15C, LEU15E, LEU243C, LEU243E, LEU272C, LEU272E, LYS261E, MET262C, MET262E, PHE238C, PHE238E, PRO51C, PRO51E, SER269C, SER269E, THR241C, THR241E, THR242C, THR242E, TRP270C, TRP270E, TYR259C, TYR259E, TYR50C, TYR50E, VAL244C, VAL244E
• C-F: ALA17C, ALA18C, ALA221F, ALA48C, ARG248C, ARG248F, ARG41C, ASN197F, ASN249C, ASN249F, ASP198F, GLN195F, GLN199F, GLN20C, GLN245C, GLN245F, GLU232F, GLU252C, GLU252F, GLY231F, GLY246C, GLY246F, GLY256C, GLY324F, GLY49C, GLY52C, HIS247C, HIS247F, ILE140F, ILE19C, ILE201F, ILE235C, ILE253C, ILE25F, ILE322F, LEU15C, LEU243C, LYS47C, PHE230F, PRO139F, PRO22C, PRO250C, PRO250F, PRO51C, THR194F, THR242C, THR255C, THR46C, THR68F, TRP137F, TRP251C, TYR192F, TYR228C, TYR228F, TYR229C, TYR229F, TYR323F, TYR50C, VAL16C, VAL196F, VAL244C, VAL254C, VAL53C
• D-E: ALA17E, ALA18E, ALA221D, ALA48E, ARG248D, ASN197D, ASN249D, ASN249E, ASP198D, GLN195D, GLN199D, GLN20E, GLN245D, GLN245E, GLU232D, GLU252D, GLU252E, GLY231D, GLY246D, GLY246E, GLY256E, GLY324D, GLY49E, GLY52E, HIS247D, HIS247E, ILE140D, ILE19E, ILE201D, ILE235E, ILE253E, ILE317D, ILE322D, LEU15E, LEU243E, LYS47E, PHE230D, PRO139D, PRO22E, PRO250D, PRO250E, PRO51E, THR194D, THR255E, THR46E, THR68D, TRP137D, TRP251E, TYR192D, TYR228D, TYR228E, TYR229D, TYR229E, TYR323D, TYR50E, VAL16E, VAL196D, VAL244E, VAL254E
• E-F: ALA175E, ALA175F, ALA178E, ALA178F, ALA179E, ALA179F, ALA208E, ALA208F, ALA263E, ALA266E, ALA266F, ALA286E, ALA286F, ALA294E, ALA294F, ALA303E, ALA303F, ALA304E, ALA304F, ARG132E, ARG132F, ARG176E, ARG176F, ARG188E, ARG188F, ARG205E, ARG205F, ARG267E, ARG267F, ARG282E, ARG282F, ARG331E, ARG331F, ASN107E, ASN107F, ASN111E, ASN111F, ASN113E, ASN113F, ASN138E, ASN138F, ASN184E, ASN184F, ASN197E, ASN197F, ASN204E, ASN204F, ASN207E, ASN207F, ASN211E, ASN211F, ASN237E, ASN237F, ASN265E, ASN265F, ASN274E, ASN274F, ASN275E, ASN275F, ASN278E, ASN278F, ASP147E, ASP147F, ASP168E, ASP168F, ASP198E, ASP198F, ASP239E, ASP239F, ASP264E, ASP264F, ASP293E, ASP293F, ASP301E, ASP301F, ASP313E, ASP313F, ASP319E, ASP319F, CYS183E, CYS183F, CYS236E, CYS236F, GLN195E, GLN195F, GLN199E, GLN199F, GLN234E, GLN234F, GLU141E, GLU141F, GLU173E, GLU173F, GLU177E, GLU177F, GLU273E, GLU273F, GLU291E, GLU291F, GLU312E, GLU312F, GLY146E, GLY146F, GLY149E, GLY149F, GLY169E, GLY169F, GLY182E, GLY182F, GLY240E, GLY240F, GLY271E, GLY271F, GLY280E, GLY280F, GLY283E, GLY283F, GLY289E, GLY289F, GLY290E, GLY290F, GLY295E, GLY295F, GLY305E, GLY305F, GLY320E, GLY320F, GLY324E, GLY329E, GLY329F, GLY330E, GLY330F, HIS167E, HIS167F, HIS210E, HIS210F, HIS281E, HIS281F, HIS292E, HIS292F, HIS314E, HIS314F, ILE140E, ILE140F, ILE171E, ILE171F, ILE201E, ILE201F, ILE276E, ILE276F, ILE299E, ILE299F, ILE317E, ILE317F, ILE322E, ILE322F, LEU134E, LEU134F, LEU148E, LEU148F, LEU174E, LEU174F, LEU202E, LEU202F, LEU212E, LEU212F, LEU268E, LEU268F, LEU272E, LEU272F, LEU279E, LEU279F, LEU296E, LEU296F, LEU302E, LEU302F, LEU309E, LEU309F, LEU72E, LEU72F, LYS112E, LYS112F, LYS133E, LYS133F, LYS160E, LYS160F, LYS181E, LYS181F, LYS287E, LYS287F, LYS300E, LYS300F, LYS306E, LYS306F, LYS308E, LYS308F, LYS316E, LYS316F, LYS318E, LYS318F, MET150E, MET150F, MET170E, MET170F, MET213E, MET213F, MET315E, MET315F, PHE135E, PHE135F, PHE238E, PHE238F, PHE332E, PHE332F, PRO114E, PRO114F, PRO136E, PRO136F, PRO139E, PRO139F, PRO142E, PRO142F, PRO145E, PRO145F, PRO172E, PRO172F, PRO288E, PRO288F, PRO310E, PRO310F, PRO326E, PRO326F, SER166E, SER166F, SER193F, SER206E, SER206F, SER269E, SER269F, SER321E, SER321F, THR194E, THR194F, THR203E, THR203F, THR241E, THR241F, THR242E, THR242F, THR297E, THR297F, THR327E, THR327F, THR328E, THR328F, TRP137E, TRP137F, TRP143E, TRP143F, TRP200E, TRP200F, TRP209E, TRP209F, TRP270E, TRP270F, TRP311E, TRP311F, TRP71E, TRP71F, TYR115E, TYR115F, TYR131E, TYR131F, TYR144E, TYR144F, TYR180E, TYR180F, TYR192E, TYR192F, TYR277E, TYR277F, TYR284E, TYR284F, TYR298E, TYR298F, TYR307E, TYR307F, TYR323E, TYR323F, TYR325E, TYR325F, VAL152E, VAL152F, VAL196E, VAL196F, VAL285E, VAL285F