3HHG

structure of crga, a lysr-type transcriptional regulator from neisseria meningitidis.

• Total interactions analyzed: 28
• Total true interactions: 8
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 111
  • Norm. En. per Res.: -4.6351
• 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	-43.9542	15.8817	-359.418	-387.4905	143	15	18	14719	0	20	28
A-H	-67.1242	-113.9468	-341.515	-522.586	115	38	11	13656	6	54	40
B-C	-93.9394	-120.5979	-299.959	-514.4964	111	33	9	12783	7	52	39
C-D	-53.6559	11.4838	-305.648	-347.8201	140	23	15	13580	0	16	23
D-E	-34.1173	-78.0604	-295.16	-407.3377	118	31	10	13172	4	50	38
E-F	-59.2302	14.7561	-358.234	-402.7081	144	23	17	14760	1	20	28
F-G	-30.5244	-65.9931	-334.205	-430.7225	116	39	7	13331	2	56	33
G-H	-42.2671	17.504	-291.556	-316.3191	140	27	18	13647	0	17	24

Interface residues

• A-B: ALA100A, ALA100B, ALA109A, ALA109B, ALA112A, ALA112B, ALA113A, ALA113B, ALA220A, ALA220B, ARG123A, ARG123B, ARG227A, ARG227B, ASN116A, ASN116B, ASN246B, ASP98A, ASP98B, CYS230A, CYS230B, CYS234A, CYS234B, GLN189A, GLN189B, GLN92B, GLU117A, GLU117B, GLU130A, GLU130B, GLU171A, GLU195A, GLU195B, GLU224A, GLU224B, GLU250A, GLU250B, GLY192A, GLY192B, GLY223A, GLY223B, GLY233A, GLY233B, GLY235A, GLY235B, GLY93A, GLY93B, HIS106A, HIS106B, HIS121A, HIS121B, HIS176A, HIS176B, HIS217A, HIS217B, ILE122A, ILE122B, ILE225A, ILE225B, LEU105A, LEU105B, LEU107A, LEU107B, LEU108A, LEU108B, LEU111A, LEU111B, LEU124A, LEU124B, LEU126A, LEU126B, LEU191A, LEU191B, LEU226A, LEU226B, LEU229A, LEU229B, LEU231A, LEU231B, LEU95A, LEU95B, LYS114A, LYS114B, LYS139B, LYS175A, LYS175B, LYS252A, LYS252B, MET101A, MET101B, PHE115A, PHE115B, PHE193A, PHE193B, PHE218A, PHE218B, PHE285B, PRO102A, PRO102B, PRO110A, PRO110B, PRO120A, PRO120B, PRO196A, PRO216A, PRO216B, SER125A, SER125B, SER128A, SER128B, SER129A, SER129B, SER215A, SER215B, SER221A, SER221B, SER222A, SER222B, SER228A, SER228B, SER232A, SER232B, SER96A, SER96B, SER99A, SER99B, THR194A, THR194B, THR219A, THR219B, TYR119A, TYR119B, TYR172A, TYR172B, VAL104A, VAL104B, VAL127A, VAL127B, VAL140A, VAL94A, VAL94B, VAL97A, VAL97B
• A-H: 0166CB7.7127, ALA277H, ALA64H, ALA70A, ALA70H, ALA78A, ALA78H, ALA79A, ALA79H, ALA80A, ALA80H, ALA86A, ALA86H, ARG118A, ARG118H, ARG155H, ARG157A, ARG283A, ARG283H, ARG68A, ARG68H, ARG69A, ARG69H, ARG72A, ARG72H, ASN48A, ASN48H, ASN4A, ASN4H, ASP287A, GLN65A, GLN65H, GLN71A, GLN75A, GLN75H, GLU291A, GLU291H, GLU292A, GLU42A, GLU42H, GLU43A, GLU43H, GLU61A, GLU61H, GLU62A, GLU62H, GLU6A, GLU6H, GLU76A, GLU76H, GLU7A, GLU7H, GLU81A, GLU81H, GLU83A, GLU83H, GLU89A, GLU89H, GLY294A, GLY46A, GLY46H, GLY63A, GLY63H, HIS88A, HIS88H, ILE73A, ILE73H, LEU280H, LEU41A, LEU41H, LEU45A, LEU45H, LEU49A, LEU49H, LEU74A, LEU74H, LEU85A, LEU85H, LEU8A, LEU8H, LYS2A, LYS2A5, LYS2H, LYS44A, LYS44H, MET1H, MET77A, MET77H, MET84A, MET84H, PHE11A, PHE11H, PHE288A, PHE67A, PHE67H, SER5A, SER5H, THR3A, THR3H, THR60A, THR60H, THR82A, THR82H, THR9A, THR9H, TYR119A, TYR66A, TYR66H, VAL278H, VAL284A, VAL290A, VAL47A, VAL47H, VAL87A, VAL87H
• B-C: ALA277B, ALA64B, ALA64C, ALA70B, ALA70C, ALA78B, ALA78C, ALA79B, ALA79C, ALA80B, ALA80C, ALA86B, ALA86C, ARG118C, ARG155B, ARG283B, ARG283C, ARG68B, ARG68C, ARG69B, ARG69C, ARG72B, ARG72C, ASN279B, ASN295C, ASN296B, ASN48B, ASN48C, ASN4B, ASN4C, ASP275B, ASP287C, GLN65B, GLN65C, GLN71C, GLN75B, GLN75C, GLU291B, GLU291C, GLU42B, GLU42C, GLU43C, GLU61B, GLU61C, GLU62B, GLU62C, GLU6B, GLU6C, GLU76B, GLU76C, GLU7B, GLU7C, GLU81B, GLU81C, GLU83B, GLU83C, GLU89B, GLU89C, GLY46B, GLY46C, GLY63B, GLY63C, HIS88B, HIS88C, ILE73B, ILE73C, LEU41B, LEU41C, LEU45B, LEU45C, LEU49B, LEU49C, LEU74B, LEU74C, LEU85B, LEU85C, LEU8B, LEU8C, LYS114C, LYS276B, LYS2B, LYS2C, LYS44B, LYS44C, MET77B, MET77C, MET84B, MET84C, PHE288C, PHE67B, PHE67C, SER274B, SER5B, SER5C, THR3B, THR3C, THR60B, THR60C, THR82B, THR82C, THR9B, THR9C, TYR119C, TYR66B, TYR66C, VAL278B, VAL290C, VAL47B, VAL47C, VAL87B, VAL87C
• C-D: ALA100C, ALA100D, ALA109C, ALA109D, ALA112C, ALA112D, ALA113C, ALA113D, ALA220C, ALA220D, ARG123C, ARG123D, ARG227C, ARG227D, ASN116C, ASN116D, ASP98C, ASP98D, CYS190C, CYS230C, CYS230D, CYS234C, CYS234D, GLN189C, GLN189D, GLN92C, GLU117C, GLU117D, GLU130C, GLU171C, GLU171D, GLU195C, GLU195D, GLU224C, GLU224D, GLY192C, GLY192D, GLY223C, GLY223D, GLY233C, GLY233D, GLY235C, GLY235D, GLY93C, GLY93D, HIS106C, HIS106D, HIS121C, HIS121D, HIS176C, HIS176D, HIS217C, HIS217D, ILE122C, ILE122D, ILE225C, ILE225D, LEU105C, LEU105D, LEU108C, LEU108D, LEU111C, LEU111D, LEU124C, LEU124D, LEU126C, LEU126D, LEU191C, LEU191D, LEU226C, LEU226D, LEU229C, LEU229D, LEU231C, LEU231D, LEU95C, LEU95D, LYS114C, LYS114D, LYS139D, LYS175C, LYS175D, MET101C, MET101D, MET103C, MET103D, PHE115C, PHE115D, PHE193C, PHE193D, PHE218C, PHE218D, PHE285C, PHE285D, PRO102C, PRO102D, PRO110C, PRO110D, PRO120C, PRO120D, PRO196C, PRO216C, PRO216D, SER125C, SER125D, SER128C, SER128D, SER129C, SER129D, SER215C, SER215D, SER221C, SER221D, SER222C, SER222D, SER228C, SER228D, SER232C, SER232D, SER96C, SER96D, SER99C, SER99D, THR194C, THR194D, THR219C, THR219D, TYR119C, TYR119D, TYR172C, TYR172D, VAL104C, VAL104D, VAL127C, VAL127D, VAL140C, VAL94C, VAL94D, VAL97C, VAL97D
• D-E: ALA277E, ALA64D, ALA64E, ALA70D, ALA70E, ALA78D, ALA78E, ALA79D, ALA79E, ALA80D, ALA80E, ALA86D, ALA86E, ARG118D, ARG118E, ARG155D, ARG155E, ARG157D, ARG283D, ARG283E, ARG68E, ARG69D, ARG69E, ARG72D, ARG72E, ASN279E, ASN48D, ASN48E, ASN4D, ASN4E, ASP275E, ASP287D, ASP287E, GLN13D, GLN65D, GLN65E, GLN75D, GLN75E, GLU291D, GLU291E, GLU42D, GLU42E, GLU43D, GLU43E, GLU61D, GLU61E, GLU62D, GLU62E, GLU6D, GLU6E, GLU76D, GLU76E, GLU7D, GLU7E, GLU81D, GLU81E, GLU83D, GLU83E, GLU89D, GLU89E, GLY46D, GLY46E, GLY63D, GLY63E, HIS88D, HIS88E, ILE73D, ILE73E, LEU280E, LEU297E, LEU41D, LEU41E, LEU45D, LEU45E, LEU49D, LEU49E, LEU74D, LEU74E, LEU85D, LEU85E, LEU8D, LEU8E, LYS276E, LYS2D, LYS2E, LYS44D, LYS44E, MET1E, MET77D, MET77E, MET84D, MET84E, PHE11D, PHE11E, PHE288D, PHE67D, PHE67E, SER274E, SER5D, SER5E, THR3D, THR3E, THR60D, THR60E, THR82D, THR82E, THR9D, THR9E, TYR119D, TYR66D, TYR66E, VAL12D, VAL278E, VAL290D, VAL47D, VAL47E, VAL87D, VAL87E
• E-F: ALA100E, ALA100F, ALA109E, ALA109F, ALA112E, ALA112F, ALA113E, ALA113F, ALA220E, ALA220F, ARG118F, ARG123E, ARG123F, ARG227E, ARG227F, ASN116E, ASN116F, ASP98E, ASP98F, CYS230E, CYS230F, CYS234E, CYS234F, GLN189E, GLN189F, GLN92E, GLU117E, GLU117F, GLU130E, GLU130F, GLU171F, GLU195E, GLU195F, GLU224E, GLU224F, GLU250E, GLU250F, GLY192E, GLY192F, GLY223E, GLY223F, GLY233E, GLY233F, GLY235E, GLY235F, GLY93E, GLY93F, HIS106E, HIS106F, HIS121E, HIS121F, HIS176E, HIS176F, HIS217E, HIS217F, ILE122E, ILE122F, ILE225E, ILE225F, LEU105E, LEU105F, LEU107E, LEU108E, LEU108F, LEU111E, LEU111F, LEU124E, LEU124F, LEU126E, LEU126F, LEU191E, LEU191F, LEU226E, LEU226F, LEU229E, LEU229F, LEU231E, LEU231F, LEU243E, LEU243F, LEU95E, LEU95F, LYS114E, LYS114F, LYS175E, LYS175F, LYS252E, LYS252F, MET101E, MET101F, MET103E, PHE115E, PHE115F, PHE193E, PHE193F, PHE218E, PHE218F, PHE285E, PRO102E, PRO102F, PRO110E, PRO110F, PRO120E, PRO120F, PRO216E, PRO216F, SER125E, SER125F, SER128E, SER128F, SER129E, SER129F, SER215E, SER215F, SER221E, SER221F, SER222E, SER222F, SER228E, SER228F, SER232E, SER232F, SER96E, SER96F, SER99E, SER99F, THR194E, THR194F, THR219E, THR219F, TYR119E, TYR119F, TYR172E, TYR172F, VAL104E, VAL104F, VAL127E, VAL127F, VAL140E, VAL140F, VAL94E, VAL94F, VAL97E, VAL97F
• F-G: ALA277F, ALA64F, ALA64G, ALA70F, ALA70G, ALA78F, ALA78G, ALA79F, ALA79G, ALA80F, ALA80G, ALA86F, ALA86G, ARG118F, ARG118G, ARG155F, ARG157F, ARG283F, ARG283G, ARG68F, ARG68G, ARG69F, ARG69G, ARG72F, ARG72G, ASN48F, ASN48G, ASN4F, ASN4G, ASP287F, ASP287G, GLN13F, GLN65F, GLN65G, GLN71F, GLN71G, GLN75F, GLN75G, GLU16F, GLU291F, GLU291G, GLU42F, GLU42G, GLU43F, GLU61F, GLU61G, GLU62F, GLU62G, GLU6F, GLU6G, GLU76F, GLU76G, GLU7F, GLU7G, GLU81F, GLU81G, GLU83F, GLU83G, GLU89F, GLU89G, GLY46F, GLY46G, GLY63F, GLY63G, HIS88F, HIS88G, ILE73F, ILE73G, LEU27F, LEU41F, LEU41G, LEU45F, LEU45G, LEU49F, LEU49G, LEU74F, LEU74G, LEU85F, LEU85G, LEU8F, LEU8G, LYS114G, LYS2F, LYS2G, LYS44F, LYS44G, MET1G, MET77F, MET77G, MET84F, MET84G, PHE11F, PHE11G, PHE288G, PHE67F, PHE67G, SER5F, SER5G, THR3F, THR3G, THR60F, THR60G, THR82F, THR82G, THR9F, THR9G, TYR119G, TYR272F, TYR66F, TYR66G, VAL12F, VAL278G, VAL47F, VAL47G, VAL87F, VAL87G
• G-H: ALA100G, ALA100H, ALA109G, ALA109H, ALA112G, ALA112H, ALA113G, ALA113H, ALA220G, ALA220H, ARG123G, ARG123H, ARG227G, ARG227H, ASN116G, ASN116H, ASN134G, ASN134H, ASN200H, ASP98G, ASP98H, CYS230G, CYS230H, CYS234G, CYS234H, GLN189G, GLN189H, GLU117G, GLU117H, GLU130G, GLU130H, GLU171G, GLU171H, GLU195G, GLU195H, GLU224G, GLU224H, GLY192G, GLY223G, GLY223H, GLY233G, GLY233H, GLY235G, GLY235H, GLY93G, HIS106G, HIS106H, HIS121G, HIS121H, HIS176G, HIS176H, HIS217G, HIS217H, ILE122G, ILE122H, ILE225G, ILE225H, LEU105G, LEU105H, LEU107G, LEU108G, LEU108H, LEU111G, LEU111H, LEU124G, LEU124H, LEU126G, LEU126H, LEU191G, LEU191H, LEU226G, LEU226H, LEU229G, LEU229H, LEU231G, LEU231H, LEU243G, LEU243H, LEU95G, LEU95H, LYS114G, LYS114H, LYS175G, LYS252G, LYS252H, MET101G, MET101H, MET103G, MET103H, PHE115G, PHE115H, PHE193G, PHE218G, PHE218H, PHE285G, PRO102G, PRO102H, PRO110G, PRO110H, PRO120G, PRO120H, PRO216G, PRO216H, SER125G, SER125H, SER128G, SER128H, SER129G, SER129H, SER215G, SER221G, SER221H, SER222G, SER222H, SER228G, SER228H, SER232G, SER232H, SER96G, SER96H, SER99G, SER99H, THR194G, THR194H, THR219G, THR219H, TYR119G, TYR119H, TYR172G, TYR172H, VAL104G, VAL104H, VAL127G, VAL127H, VAL140G, VAL140H, VAL94G, VAL94H, VAL97G, VAL97H