1OEL

conformational variability in the refined structure of the chaperonin groel at 2.8 angstrom resolution

• Total interactions analyzed: 21
• Total true interactions: 7
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 178
  • Norm. En. per Res.: -3.7029
• 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	-147.8071	-87.1085	-424.192	-659.1076	178	22	11	16920	8	80	88
A-G	-109.7645	-78.6446	-402.365	-590.7741	177	18	8	16303	7	78	88
B-C	-140.2085	-86.0756	-413.491	-639.7751	183	27	8	17285	8	81	88
C-D	-112.8373	-67.114	-369.739	-549.6903	171	25	9	15780	4	78	79
D-E	-136.5657	-75.7353	-437.198	-649.499	177	24	12	17068	7	79	84
E-F	-124.4572	-69.3221	-426.415	-620.1943	176	32	9	16966	5	82	87
F-G	-138.0636	-80.4416	-413.237	-631.7423	178	25	10	16788	9	80	90

Interface residues

• A-B: ALA12A, ALA239B, ALA241B, ALA243B, ALA24B, ALA258A, ALA26B, ALA278A, ALA2A, ALA383B, ALA384B, ALA3A, ALA46B, ALA481B, ALA57B, ALA71A, ARG118A, ARG197A, ARG231A, ARG268B, ARG284A, ARG285A, ARG36B, ARG58B, ASN112A, ASN206B, ASN21B, ASN229A, ASN37B, ASN433A, ASN457B, ASN68A, ASN68B, ASP115A, ASP179B, ASP253A, ASP25B, ASP283A, ASP361A, ASP41B, ASP435A, ASP523A, ASP5A, ASP64B, CYS458B, CYS519A, GLN184B, GLN432A, GLN72A, GLN72B, GLU214B, GLU216B, GLU232A, GLU238B, GLU252A, GLU255A, GLU257A, GLU303A, GLU310A, GLU386B, GLU388B, GLU460B, GLU483B, GLU518A, GLU59B, GLU61B, GLU63B, GLU76A, GLY180B, GLY182B, GLY244B, GLY256A, GLY269B, GLY280A, GLY282A, GLY32B, GLY35B, GLY382B, GLY459B, GLY45B, GLY512A, GLY70A, GLY9A, ILE227A, ILE230A, ILE267B, ILE270B, ILE49B, ILE515A, ILE60B, LEU183B, LEU215B, LEU23B, LEU259A, LEU40B, LEU456B, LEU513A, LEU524A, LEU62B, LYS117A, LYS207B, LYS225A, LYS226A, LYS242B, LYS245B, LYS272B, LYS277A, LYS286A, LYS28B, LYS34B, LYS364A, LYS380B, LYS390B, LYS42B, LYS4A, LYS51B, LYS65A, LYS65B, LYS75A, LYS75B, LYS7A, LYS80A, MET111A, MET114A, MET16A, MET389B, MET514A, MET520A, MET69A, MET73A, PHE281A, PHE44B, PHE66A, PHE8A, PRO113A, PRO202A, PRO208B, PRO246B, PRO279A, PRO33B, PRO47B, PRO525A, SER217B, SER228A, SER358A, SER43B, SER509A, SER55B, THR181B, THR261A, THR30B, THR385B, THR482B, THR48B, THR50B, THR516A, THR517A, THR522A, TYR203A, TYR360A, VAL107A, VAL22B, VAL240B, VAL271B, VAL273B, VAL27B, VAL29B, VAL381B, VAL387B, VAL38B, VAL39B, VAL455B, VAL510A, VAL521A, VAL56B, VAL6A, VAL74A, VAL77A
• A-G: ALA12G, ALA241A, ALA243A, ALA24A, ALA258G, ALA26A, ALA278G, ALA2G, ALA383A, ALA384A, ALA3G, ALA46A, ALA480A, ALA481A, ALA57A, ALA71G, ARG118G, ARG197G, ARG231G, ARG268A, ARG284G, ARG285G, ARG36A, ARG58A, ASN112G, ASN206A, ASN21A, ASN229G, ASN37A, ASN433G, ASN457A, ASN68A, ASN68G, ASP115G, ASP179A, ASP253G, ASP25A, ASP283G, ASP359G, ASP361G, ASP41A, ASP435G, ASP523G, ASP5G, ASP64A, CYS458A, CYS519G, GLN184A, GLN432G, GLN72A, GLN72G, GLU214A, GLU216A, GLU232G, GLU252G, GLU255G, GLU257G, GLU303G, GLU310G, GLU386A, GLU388A, GLU460A, GLU483A, GLU518G, GLU59A, GLU61A, GLU63A, GLU76G, GLY180A, GLY182A, GLY244A, GLY256G, GLY269A, GLY280G, GLY282G, GLY32A, GLY35A, GLY382A, GLY459A, GLY45A, GLY512G, GLY70G, GLY9G, ILE227G, ILE230G, ILE267A, ILE270A, ILE49A, ILE515G, ILE60A, LEU183A, LEU23A, LEU259G, LEU40A, LEU456A, LEU513G, LEU524G, LEU62A, LYS117G, LYS207A, LYS225G, LYS226G, LYS242A, LYS245A, LYS272A, LYS277G, LYS286G, LYS28A, LYS34A, LYS364G, LYS380A, LYS390A, LYS42A, LYS4G, LYS51A, LYS65A, LYS65G, LYS75A, LYS75G, LYS7G, LYS80G, MET111G, MET114G, MET16G, MET389A, MET514G, MET520G, MET69G, MET73G, PHE281G, PHE44A, PHE66G, PHE8G, PRO113G, PRO202G, PRO208A, PRO246A, PRO279G, PRO33A, PRO47A, PRO525G, SER201G, SER217A, SER228G, SER358G, SER43A, SER509G, SER55A, THR181A, THR261G, THR30A, THR385A, THR482A, THR48A, THR50A, THR516G, THR517G, THR522G, TYR203G, TYR360G, VAL107G, VAL22A, VAL240A, VAL271A, VAL27A, VAL29A, VAL381A, VAL387A, VAL38A, VAL39A, VAL455A, VAL510G, VAL521G, VAL56A, VAL6G, VAL74G, VAL77G
• B-C: ALA12B, ALA239C, ALA241C, ALA243C, ALA24C, ALA258B, ALA26C, ALA278B, ALA2B, ALA383C, ALA384C, ALA3B, ALA46C, ALA480C, ALA481C, ALA57C, ALA71B, ARG118B, ARG197B, ARG231B, ARG268C, ARG284B, ARG285B, ARG36C, ARG58C, ASN112B, ASN206C, ASN21C, ASN229B, ASN37C, ASN433B, ASN457C, ASN68B, ASN68C, ASP115B, ASP179C, ASP253B, ASP25C, ASP283B, ASP359B, ASP361B, ASP41C, ASP435B, ASP523B, ASP5B, ASP64C, CYS458C, CYS519B, GLN184C, GLN432B, GLN453C, GLN72B, GLN72C, GLU214C, GLU216C, GLU232B, GLU238C, GLU252B, GLU255B, GLU257B, GLU303B, GLU308B, GLU310B, GLU386C, GLU388C, GLU460C, GLU483C, GLU518B, GLU59C, GLU61C, GLU63C, GLU76B, GLY180C, GLY182C, GLY244C, GLY256B, GLY269C, GLY280B, GLY282B, GLY32C, GLY35C, GLY382C, GLY459C, GLY45C, GLY512B, GLY70B, GLY9B, ILE227B, ILE230B, ILE267C, ILE270C, ILE49C, ILE515B, ILE60C, LEU183C, LEU237C, LEU23C, LEU259B, LEU40C, LEU456C, LEU513B, LEU524B, LEU62C, LYS117B, LYS207C, LYS225B, LYS226B, LYS242C, LYS245C, LYS272C, LYS277B, LYS286B, LYS28C, LYS34C, LYS364B, LYS380C, LYS390C, LYS42C, LYS4B, LYS51C, LYS65B, LYS65C, LYS75B, LYS75C, LYS7B, LYS80B, MET111B, MET114B, MET16B, MET389C, MET514B, MET520B, MET69B, MET73B, PHE281B, PHE44C, PHE66B, PHE8B, PRO113B, PRO202B, PRO208C, PRO246C, PRO279B, PRO33C, PRO47C, PRO525B, SER201B, SER217C, SER228B, SER358B, SER43C, SER509B, SER55C, THR181C, THR261B, THR30C, THR385C, THR482C, THR48C, THR50C, THR516B, THR517B, THR522B, TYR203B, TYR360B, VAL107B, VAL22C, VAL240C, VAL271C, VAL273C, VAL27C, VAL29C, VAL381C, VAL387C, VAL38C, VAL39C, VAL455C, VAL510B, VAL521B, VAL56C, VAL6B, VAL74B, VAL77B
• C-D: ALA12C, ALA241D, ALA243D, ALA24D, ALA258C, ALA26D, ALA278C, ALA2C, ALA383D, ALA384D, ALA3C, ALA46D, ALA480D, ALA481D, ALA57D, ALA71C, ARG118C, ARG197C, ARG231C, ARG268D, ARG284C, ARG285C, ARG36D, ARG58D, ASN112C, ASN206D, ASN21D, ASN229C, ASN37D, ASN433C, ASN457D, ASN68C, ASN68D, ASP115C, ASP179D, ASP253C, ASP25D, ASP283C, ASP361C, ASP41D, ASP435C, ASP523C, ASP5C, ASP64D, CYS458D, CYS519C, GLN184D, GLN432C, GLN72C, GLN72D, GLU216D, GLU232C, GLU252C, GLU255C, GLU257C, GLU303C, GLU308C, GLU310C, GLU386D, GLU388D, GLU460D, GLU483D, GLU518C, GLU59D, GLU61D, GLU63D, GLU76C, GLY180D, GLY182D, GLY244D, GLY256C, GLY269D, GLY280C, GLY282C, GLY32D, GLY35D, GLY382D, GLY459D, GLY45D, GLY512C, GLY70C, GLY9C, ILE205D, ILE230C, ILE267D, ILE270D, ILE49D, ILE515C, ILE60D, LEU183D, LEU23D, LEU259C, LEU40D, LEU456D, LEU513C, LEU524C, LEU62D, LYS117C, LYS207D, LYS225C, LYS226C, LYS242D, LYS245D, LYS272D, LYS277C, LYS286C, LYS28D, LYS34D, LYS364C, LYS390D, LYS42D, LYS4C, LYS51D, LYS65C, LYS65D, LYS75C, LYS75D, LYS7C, LYS80C, MET111C, MET114C, MET16C, MET389D, MET514C, MET520C, MET69C, MET73C, PHE281C, PHE44D, PHE66C, PHE8C, PRO113C, PRO202C, PRO208D, PRO246D, PRO279C, PRO33D, PRO47D, PRO525C, SER228C, SER358C, SER43D, SER509C, SER55D, THR181D, THR30D, THR385D, THR482D, THR48D, THR50D, THR516C, THR517C, THR522C, TYR203C, TYR360C, VAL107C, VAL22D, VAL271D, VAL27D, VAL29D, VAL381D, VAL387D, VAL38D, VAL39D, VAL455D, VAL510C, VAL521C, VAL56D, VAL6C, VAL74C, VAL77C
• D-E: ALA12D, ALA239E, ALA241E, ALA243E, ALA24E, ALA258D, ALA26E, ALA278D, ALA2D, ALA383E, ALA384E, ALA3D, ALA46E, ALA480E, ALA481E, ALA57E, ALA71D, ARG118D, ARG197D, ARG231D, ARG268E, ARG284D, ARG285D, ARG36E, ARG58E, ASN112D, ASN206E, ASN21E, ASN229D, ASN37E, ASN433D, ASN457E, ASN68D, ASN68E, ASP115D, ASP179E, ASP253D, ASP25E, ASP283D, ASP359D, ASP361D, ASP41E, ASP435D, ASP523D, ASP5D, ASP64D, ASP64E, CYS458E, CYS519D, GLN184E, GLN432D, GLN72D, GLN72E, GLU214E, GLU216E, GLU232D, GLU238E, GLU252D, GLU255D, GLU257D, GLU303D, GLU310D, GLU363D, GLU386E, GLU388E, GLU460E, GLU483E, GLU518D, GLU59E, GLU61E, GLU63E, GLU76D, GLY180E, GLY182E, GLY244E, GLY256D, GLY269E, GLY280D, GLY282D, GLY32E, GLY35E, GLY382E, GLY459E, GLY45E, GLY512D, GLY70D, GLY9D, ILE227D, ILE230D, ILE267E, ILE270E, ILE49E, ILE515D, ILE60E, LEU183E, LEU23E, LEU259D, LEU40E, LEU456E, LEU513D, LEU524D, LEU62E, LYS117D, LYS207E, LYS225D, LYS226D, LYS242E, LYS245E, LYS272E, LYS277D, LYS286D, LYS28E, LYS34E, LYS364D, LYS380E, LYS390E, LYS42E, LYS4D, LYS51E, LYS65D, LYS65E, LYS75D, LYS75E, LYS7D, LYS80D, MET111D, MET114D, MET16D, MET389E, MET514D, MET520D, MET69D, MET73D, PHE281D, PHE66D, PHE8D, PRO113D, PRO246E, PRO279D, PRO33E, PRO47E, PRO525D, SER217E, SER228D, SER358D, SER43E, SER509D, SER55E, THR181E, THR261D, THR30E, THR385E, THR482E, THR48E, THR50E, THR516D, THR517D, THR522D, TYR360D, VAL107D, VAL22E, VAL240E, VAL271E, VAL273E, VAL27E, VAL29E, VAL381E, VAL387E, VAL38E, VAL39E, VAL455E, VAL510D, VAL521D, VAL56E, VAL6D, VAL74D, VAL77D
• E-F: ALA12E, ALA241F, ALA243F, ALA24F, ALA258E, ALA26F, ALA278E, ALA2E, ALA383F, ALA384F, ALA3E, ALA46F, ALA480F, ALA481F, ALA57F, ALA71E, ARG118E, ARG197E, ARG231E, ARG268F, ARG284E, ARG285E, ARG36F, ARG58F, ASN112E, ASN206F, ASN21F, ASN229E, ASN37F, ASN433E, ASN457F, ASN68E, ASN68F, ASP115E, ASP179F, ASP253E, ASP25F, ASP283E, ASP359E, ASP361E, ASP41F, ASP435E, ASP523E, ASP5E, ASP64F, CYS458F, CYS519E, GLN184F, GLN432E, GLN72E, GLN72F, GLU216F, GLU232E, GLU238F, GLU252E, GLU255E, GLU257E, GLU303E, GLU308E, GLU310E, GLU363E, GLU386F, GLU388F, GLU460F, GLU483F, GLU518E, GLU59F, GLU61F, GLU63F, GLU76E, GLY180F, GLY182F, GLY244F, GLY256E, GLY269F, GLY280E, GLY282E, GLY32F, GLY35F, GLY382F, GLY459F, GLY45F, GLY512E, GLY70E, GLY9E, ILE227E, ILE230E, ILE267F, ILE270F, ILE49F, ILE515E, ILE60F, LEU183F, LEU23F, LEU259E, LEU40F, LEU456F, LEU513E, LEU524E, LEU62F, LYS117E, LYS207F, LYS225E, LYS226E, LYS242F, LYS245F, LYS272F, LYS277E, LYS286E, LYS28F, LYS34F, LYS364E, LYS390F, LYS42F, LYS4E, LYS51F, LYS65E, LYS65F, LYS75E, LYS75F, LYS7E, LYS80E, MET111E, MET114E, MET16E, MET389F, MET514E, MET520E, MET69E, MET73E, PHE281E, PHE44F, PHE66E, PHE8E, PRO113E, PRO202E, PRO208F, PRO246F, PRO279E, PRO33F, PRO47F, PRO525E, SER217F, SER228E, SER358E, SER43F, SER509E, SER55F, THR181F, THR261E, THR30F, THR385F, THR482F, THR48F, THR50F, THR516E, THR517E, THR522E, TYR360E, VAL107E, VAL22F, VAL240F, VAL271F, VAL27F, VAL29F, VAL381F, VAL387F, VAL38F, VAL39F, VAL455F, VAL510E, VAL521E, VAL56F, VAL6E, VAL74E, VAL77E
• F-G: ALA12F, ALA241G, ALA243G, ALA24G, ALA258F, ALA26G, ALA278F, ALA2F, ALA383G, ALA384G, ALA3F, ALA46G, ALA480G, ALA481G, ALA57G, ALA71F, ARG118F, ARG197F, ARG231F, ARG268G, ARG284F, ARG285F, ARG36G, ARG58G, ASN112F, ASN206G, ASN21G, ASN229F, ASN37G, ASN433F, ASN457G, ASN68F, ASN68G, ASP115F, ASP179G, ASP253F, ASP25G, ASP283F, ASP359F, ASP361F, ASP41G, ASP435F, ASP523F, ASP5F, ASP64G, CYS458G, CYS519F, GLN184G, GLN432F, GLN72F, GLN72G, GLU214G, GLU216G, GLU232F, GLU238G, GLU252F, GLU255F, GLU257F, GLU303F, GLU308F, GLU310F, GLU386G, GLU388G, GLU460G, GLU483G, GLU518F, GLU59G, GLU61G, GLU63G, GLU76F, GLY180G, GLY182G, GLY244G, GLY256F, GLY269G, GLY280F, GLY282F, GLY32G, GLY35G, GLY382G, GLY459G, GLY45G, GLY512F, GLY70F, GLY9F, ILE227F, ILE230F, ILE267G, ILE270G, ILE49G, ILE515F, ILE60G, LEU183G, LEU23G, LEU259F, LEU40G, LEU456G, LEU513F, LEU524F, LEU62G, LYS117F, LYS207G, LYS225F, LYS226F, LYS242G, LYS245G, LYS272G, LYS277F, LYS286F, LYS28G, LYS34G, LYS364F, LYS380G, LYS390G, LYS42G, LYS4F, LYS51G, LYS65F, LYS65G, LYS75F, LYS75G, LYS7F, LYS80F, MET111F, MET114F, MET16F, MET389G, MET514F, MET520F, MET69F, MET73F, PHE281F, PHE44G, PHE66F, PHE8F, PRO113F, PRO202F, PRO246G, PRO279F, PRO33G, PRO47G, PRO525F, SER201F, SER217G, SER228F, SER358F, SER43G, SER509F, SER55G, THR181G, THR261F, THR30G, THR385G, THR482G, THR48G, THR50G, THR516F, THR517F, THR522F, TYR203F, TYR360F, VAL107F, VAL22G, VAL240G, VAL271G, VAL27G, VAL29G, VAL381G, VAL387G, VAL38G, VAL39G, VAL455G, VAL510F, VAL521F, VAL56G, VAL6F, VAL74F, VAL77F