1WE0

crystal structure of peroxiredoxin (ahpc) from amphibacillus xylanus

• Total interactions analyzed: 45
• Total true interactions: 10
• Strongest Interaction:
  • Chains: F-G
  • Int. Res.: 78
  • Norm. En. per Res.: -1.8126
• Hub Node: A(2)

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	-71.7041	7.2557	1308.12	1243.6715	118	32	19	11434	2	18	23
A-J	0.0	13.2995	-134.926	-121.6265	74	10	10	6894	0	22	15
B-C	0.0	13.6757	-134.457	-120.7813	74	9	10	6980	0	22	15
C-D	-85.3466	21.6067	1218.95	1155.21	118	34	18	11854	2	23	24
D-E	0.0	9.9655	-124.466	-114.5005	73	9	10	6663	0	22	15
E-F	-77.5998	23.7977	1252.03	1198.2279	117	25	19	11379	3	18	22
F-G	0.0	9.737	-151.123	-141.386	78	12	9	7317	0	22	15
G-H	-87.6401	25.5175	1250.18	1188.0574	118	27	18	11529	3	18	22
H-I	0.0	12.1979	-134.32	-122.1221	73	10	10	6784	0	22	15
I-J	-102.2467	26.5453	1195.4	1119.6986	118	34	18	11866	2	23	24

Interface residues

• A-B: ALA118A, ALA118B, ALA133A, ALA133B, ALA138A, ALA138B, ALA154A, ALA154B, ALA155A, ALA155B, ARG120A, ARG120B, ARG143A, ARG143B, ARG159A, ARG159B, ASN112A, ASN112B, ASN137A, ASN137B, ASN150A, ASN150B, ASN161A, ASN161B, ASP109A, ASP109B, ASP119A, ASP119B, ASP126A, ASP126B, ASP139A, ASP139B, ASP144A, ASP144B, CYS166A, CYS166B, CYS47A, CYS47B, GLN132A, GLN132B, GLN156A, GLN156B, GLU113A, GLU113B, GLU135A, GLU135B, GLU164A, GLU164B, GLU50A, GLU50B, GLY121A, GLY121B, GLY140A, GLY140B, GLY142A, GLY142B, GLY163A, GLY163B, GLY4A, GLY4B, ILE124A, ILE124B, ILE131A, ILE131B, ILE134A, ILE134B, ILE136A, ILE136B, ILE141A, ILE141B, ILE3A, ILE3B, LEU111A, LEU111B, LEU2A, LEU2B, LYS151A, LYS151B, LYS153A, LYS153B, PHE108A, PHE108B, PHE123A, PHE123B, PHE45A, PHE45B, PRO162A, PRO162B, PRO48A, PRO48B, SER146A, SER146B, SER1A, SER1B, THR122A, THR122B, THR147A, THR147B, THR49A, THR49B, THR5A, THR5B, TRP33A, TRP33B, TYR157A, TYR157B, VAL110A, VAL110B, VAL130A, VAL130B, VAL152A, VAL152B, VAL158A, VAL158B, VAL165A, VAL165B, VAL46A, VAL46B
• A-J: ALA41A, ALA41J, ALA81A, ALA81J, ARG106A, ARG106J, ARG11A, ASN112A, ASN112J, ASN85A, ASN85J, ASP20A, ASP20J, ASP42A, ASP42J, ASP74A, ASP74J, ASP99A, ASP99J, GLN102A, GLN102J, GLN13A, GLU113A, GLU113J, GLU114A, GLU114J, GLU84A, GLU84J, GLY116A, GLY116J, HIS76A, HIS76J, HIS79A, HIS79J, LEU111A, LEU111J, LEU117A, LEU117J, LYS80A, LYS80J, PHE21A, PHE21J, PHE43A, PHE43J, PHE45A, PHE45J, PHE77A, PHE77J, PRO100A, PRO100J, PRO40A, PRO40J, SER101A, SER101J, SER44A, SER44J, SER72A, SER72J, SER86A, SER86J, THR103A, THR103J, THR115A, THR115J, THR73A, THR73J, THR75A, THR75J, TRP82A, TRP82J, VAL46A, VAL46J, VAL78A, VAL78J
• B-C: ALA41B, ALA41C, ALA81B, ALA81C, ARG106B, ARG106C, ARG11B, ASN112B, ASN112C, ASN85B, ASN85C, ASP20B, ASP20C, ASP42B, ASP42C, ASP74B, ASP74C, ASP99B, ASP99C, GLN102B, GLN102C, GLN13B, GLU113B, GLU113C, GLU114B, GLU114C, GLU84B, GLU84C, GLY116B, GLY116C, HIS76B, HIS76C, HIS79B, HIS79C, LEU111B, LEU111C, LEU117B, LEU117C, LYS80B, LYS80C, PHE21B, PHE21C, PHE43B, PHE43C, PHE45B, PHE45C, PHE77B, PHE77C, PRO100B, PRO100C, PRO40B, PRO40C, SER101B, SER101C, SER44B, SER44C, SER72B, SER72C, SER86B, SER86C, THR103B, THR103C, THR115B, THR115C, THR73B, THR73C, THR75B, THR75C, TRP82B, TRP82C, VAL46B, VAL46C, VAL78B, VAL78C
• C-D: ALA118C, ALA118D, ALA133C, ALA133D, ALA138C, ALA138D, ALA154C, ALA154D, ALA155C, ALA155D, ARG120C, ARG120D, ARG143C, ARG143D, ARG159C, ARG159D, ASN112C, ASN112D, ASN137C, ASN137D, ASN150C, ASN150D, ASP109C, ASP109D, ASP119C, ASP119D, ASP126C, ASP126D, ASP139C, ASP139D, ASP144C, ASP144D, CYS166C, CYS166D, CYS47C, CYS47D, GLN132C, GLN132D, GLN156C, GLN156D, GLU113C, GLU113D, GLU135C, GLU135D, GLU164C, GLU164D, GLU50C, GLU50D, GLY121C, GLY121D, GLY140C, GLY140D, GLY142C, GLY142D, GLY163C, GLY163D, GLY4C, GLY4D, ILE124C, ILE124D, ILE131C, ILE131D, ILE134C, ILE134D, ILE136C, ILE136D, ILE141C, ILE141D, ILE3C, ILE3D, LEU111C, LEU111D, LEU148C, LEU148D, LEU2C, LEU2D, LYS151C, LYS151D, LYS153C, LYS153D, PHE108C, PHE108D, PHE123C, PHE123D, PHE45C, PHE45D, PRO162C, PRO162D, PRO48C, PRO48D, SER146C, SER146D, SER1C, SER1D, SER44C, SER44D, THR122C, THR122D, THR147C, THR147D, THR49C, THR49D, TRP33C, TRP33D, TYR157C, TYR157D, VAL110C, VAL110D, VAL130C, VAL130D, VAL152C, VAL152D, VAL158C, VAL158D, VAL165C, VAL165D, VAL46C, VAL46D
• D-E: ALA41D, ALA41E, ALA81D, ALA81E, ARG106D, ARG106E, ASN112D, ASN112E, ASN85D, ASN85E, ASP20D, ASP20E, ASP42D, ASP42E, ASP74D, ASP74E, ASP99D, ASP99E, GLN102D, GLN102E, GLN13E, GLU113D, GLU113E, GLU114D, GLU114E, GLU84D, GLU84E, GLY116D, GLY116E, HIS76D, HIS76E, HIS79D, HIS79E, LEU111D, LEU111E, LEU117D, LEU117E, LYS80D, LYS80E, PHE21D, PHE21E, PHE43D, PHE43E, PHE45D, PHE45E, PHE77D, PHE77E, PRO100D, PRO100E, PRO40D, PRO40E, SER101D, SER101E, SER44D, SER44E, SER72D, SER72E, SER86D, SER86E, THR103D, THR103E, THR115D, THR115E, THR73D, THR73E, THR75D, THR75E, TRP82D, TRP82E, VAL46D, VAL46E, VAL78D, VAL78E
• E-F: ALA118E, ALA118F, ALA133E, ALA133F, ALA138E, ALA138F, ALA154E, ALA154F, ALA155E, ALA155F, ARG120E, ARG120F, ARG143E, ARG143F, ARG159E, ARG159F, ASN112E, ASN112F, ASN137E, ASN137F, ASN150E, ASN150F, ASP109E, ASP109F, ASP119E, ASP119F, ASP126E, ASP126F, ASP139E, ASP139F, ASP144E, ASP144F, CYS166E, CYS166F, CYS47E, CYS47F, GLN132E, GLN132F, GLN156E, GLN156F, GLU113E, GLU113F, GLU135E, GLU135F, GLU164E, GLU164F, GLU50E, GLU50F, GLY121E, GLY121F, GLY140E, GLY140F, GLY142E, GLY142F, GLY163E, GLY163F, GLY4E, GLY4F, ILE124E, ILE124F, ILE131E, ILE131F, ILE134E, ILE134F, ILE136E, ILE136F, ILE141E, ILE141F, ILE3E, ILE3F, LEU111E, LEU111F, LEU148E, LEU148F, LEU2E, LEU2F, LYS151E, LYS151F, LYS153E, LYS153F, PHE108E, PHE108F, PHE123E, PHE123F, PHE45E, PHE45F, PRO162E, PRO162F, PRO48E, PRO48F, SER105F, SER146E, SER146F, SER1E, SER1F, THR122E, THR122F, THR147E, THR147F, THR49E, THR49F, TRP33E, TRP33F, TYR157E, TYR157F, VAL110E, VAL110F, VAL130E, VAL130F, VAL152E, VAL152F, VAL158E, VAL158F, VAL165E, VAL165F, VAL46E, VAL46F
• F-G: ALA118F, ALA41F, ALA41G, ALA81F, ALA81G, ARG106F, ARG106G, ARG11F, ARG11G, ASN112F, ASN112G, ASN85F, ASN85G, ASP20F, ASP20G, ASP42F, ASP42G, ASP74F, ASP74G, ASP99F, ASP99G, GLN102F, GLN102G, GLN13G, GLU113F, GLU113G, GLU114F, GLU114G, GLU84F, GLU84G, GLY116F, GLY116G, HIS76F, HIS76G, HIS79F, HIS79G, LEU111F, LEU111G, LEU117F, LEU117G, LYS80F, LYS80G, PHE15F, PHE15G, PHE21F, PHE21G, PHE43F, PHE43G, PHE45F, PHE45G, PHE77F, PHE77G, PRO100F, PRO100G, PRO40F, PRO40G, SER101F, SER101G, SER44F, SER44G, SER72F, SER72G, SER86F, SER86G, THR103F, THR103G, THR115F, THR115G, THR73F, THR73G, THR75F, THR75G, TRP82F, TRP82G, VAL46F, VAL46G, VAL78F, VAL78G
• G-H: ALA118G, ALA118H, ALA133G, ALA133H, ALA138G, ALA138H, ALA154G, ALA154H, ALA155G, ALA155H, ARG120G, ARG120H, ARG143G, ARG143H, ARG159G, ARG159H, ASN112G, ASN112H, ASN137G, ASN137H, ASN150G, ASN150H, ASN161H, ASP109G, ASP109H, ASP119G, ASP119H, ASP126G, ASP126H, ASP139G, ASP139H, ASP144G, ASP144H, CYS166G, CYS166H, CYS47G, CYS47H, GLN132G, GLN132H, GLN156G, GLN156H, GLU113G, GLU113H, GLU135G, GLU135H, GLU164G, GLU164H, GLU50G, GLU50H, GLY121G, GLY121H, GLY140G, GLY140H, GLY142G, GLY142H, GLY163G, GLY163H, GLY4G, GLY4H, ILE124G, ILE124H, ILE131G, ILE131H, ILE134G, ILE134H, ILE136G, ILE136H, ILE141G, ILE141H, ILE3G, ILE3H, LEU111G, LEU111H, LEU148G, LEU148H, LEU2G, LEU2H, LYS151G, LYS151H, LYS153G, LYS153H, PHE108G, PHE108H, PHE123G, PHE123H, PHE45G, PHE45H, PRO162G, PRO162H, PRO48G, PRO48H, SER105G, SER146G, SER146H, SER1G, SER1H, THR122G, THR122H, THR147G, THR147H, THR49G, THR49H, TRP33G, TRP33H, TYR157G, TYR157H, VAL110G, VAL110H, VAL130G, VAL130H, VAL152G, VAL152H, VAL158G, VAL158H, VAL165G, VAL165H, VAL46G, VAL46H
• H-I: ALA41H, ALA41I, ALA81H, ALA81I, ARG106H, ARG106I, ARG11H, ASN112H, ASN112I, ASN85H, ASN85I, ASP20H, ASP20I, ASP42H, ASP42I, ASP74H, ASP74I, ASP99H, ASP99I, GLN102H, GLN102I, GLU113H, GLU113I, GLU114H, GLU114I, GLU84H, GLU84I, GLY116H, GLY116I, HIS76H, HIS76I, HIS79H, HIS79I, LEU111H, LEU111I, LEU117H, LEU117I, LYS80H, LYS80I, PHE21H, PHE21I, PHE43H, PHE43I, PHE45H, PHE45I, PHE77H, PHE77I, PRO100H, PRO100I, PRO40H, PRO40I, SER101H, SER101I, SER44H, SER44I, SER72H, SER72I, SER86H, SER86I, THR103H, THR103I, THR115H, THR115I, THR73H, THR73I, THR75H, THR75I, TRP82H, TRP82I, VAL46H, VAL46I, VAL78H, VAL78I
• I-J: ALA118I, ALA118J, ALA133I, ALA133J, ALA138I, ALA138J, ALA154I, ALA154J, ALA155I, ALA155J, ARG120I, ARG120J, ARG143I, ARG143J, ARG159I, ARG159J, ASN112I, ASN112J, ASN137I, ASN137J, ASN150I, ASN150J, ASP109I, ASP109J, ASP119I, ASP119J, ASP126I, ASP126J, ASP139I, ASP139J, ASP144I, ASP144J, CYS166I, CYS166J, CYS47I, CYS47J, GLN132I, GLN132J, GLN156I, GLN156J, GLU113I, GLU113J, GLU135I, GLU135J, GLU164I, GLU164J, GLU50I, GLU50J, GLY121I, GLY121J, GLY140I, GLY140J, GLY142I, GLY142J, GLY163I, GLY163J, GLY4I, GLY4J, ILE124I, ILE124J, ILE131I, ILE131J, ILE134I, ILE134J, ILE136I, ILE136J, ILE141I, ILE141J, ILE3I, ILE3J, LEU111I, LEU111J, LEU148I, LEU148J, LEU2I, LEU2J, LYS151I, LYS151J, LYS153I, LYS153J, PHE108I, PHE108J, PHE123I, PHE123J, PHE45I, PHE45J, PRO162I, PRO162J, PRO48I, PRO48J, SER146I, SER146J, SER1I, SER1J, SER44I, SER44J, THR122I, THR122J, THR147I, THR147J, THR49I, THR49J, TRP33I, TRP33J, TYR157I, TYR157J, VAL110I, VAL110J, VAL130I, VAL130J, VAL152I, VAL152J, VAL158I, VAL158J, VAL165I, VAL165J, VAL46I, VAL46J