3MML

allophanate hydrolase complex from mycobacterium smegmatis, msmeg0435- msmeg0436

• Total interactions analyzed: 28
• Total true interactions: 8
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 126
  • Norm. En. per Res.: -2.915
• 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	-18.48	33.0886	-303.22	-288.6115	144	14	6	13514	2	27	26
A-C	-33.8765	-44.6449	-288.765	-367.2864	126	8	8	11877	0	19	25
C-D	-28.4907	42.0012	-285.654	-272.1435	133	11	6	12751	4	24	26
C-H	0.0	0.0	-24.4012	-24.4012	26	0	2	1452	0	1	2
D-H	0.0	0.0	-42.5123	-42.5123	32	2	0	1635	0	3	4
E-F	-17.6711	38.0018	-290.185	-269.8542	141	12	6	13120	2	27	26
E-G	-34.7201	-49.1068	-272.031	-355.8579	125	6	8	11470	2	19	26
G-H	-10.0716	41.0152	-275.123	-244.1794	138	11	6	12692	2	24	26

Interface residues

• A-B: ALA129B, ALA133B, ALA139A, ALA13B, ALA148B, ALA162B, ALA196B, ALA232A, ALA236A, ALA25A, ALA286A, ALA45B, ALA46B, ALA54B, ARG146B, ARG147B, ARG171B, ARG185A, ARG192B, ARG21A, ARG225A, ARG234A, ARG31A, ARG32B, ARG37A, ARG38A, ARG47B, ARG57B, ARG63B, ASN191B, ASN8B, ASP11B, ASP135A, ASP186A, ASP187A, ASP189B, ASP193B, ASP224A, ASP268A, ASP270A, ASP41B, CYS126B, GLN12B, GLN179A, GLN226A, GLN238A, GLN59B, GLU149B, GLU17B, GLU230A, GLU266A, GLU267A, GLY10B, GLY124B, GLY127B, GLY130A, GLY131B, GLY141A, GLY176B, GLY183A, GLY231A, GLY235A, GLY23A, GLY256A, GLY257A, GLY262A, GLY28A, GLY55B, HIS252A, HIS26A, HIS7B, ILE140A, ILE237A, ILE269A, ILE42B, LEU129A, LEU14B, LEU15B, LEU16B, LEU198B, LEU227A, LEU248A, LEU24A, LEU50B, LEU53B, LYS194B, LYS52B, PHE125B, PHE128B, PHE132B, PHE165B, PHE188B, PHE18B, PRO127A, PRO130B, PRO145B, PRO150B, PRO170B, PRO182A, PRO184A, PRO195B, PRO200B, PRO228A, PRO22A, PRO241A, PRO253A, PRO259A, PRO44B, PRO56B, SER138A, SER229A, SER32A, THR126A, THR199B, THR21B, THR233A, THR255A, THR265A, THR28B, THR30A, THR48B, THR5B, TRP177B, TRP188A, TYR134B, TYR258A, TYR287A, TYR9B, VAL123B, VAL128A, VAL180A, VAL181A, VAL190B, VAL254A, VAL260A, VAL263A, VAL264A, VAL29A, VAL39B, VAL40B, VAL43B, VAL49B, VAL51B, VAL6B
• A-C: ALA108A, ALA108C, ALA172A, ALA172C, ALA65C, ALA84A, ALA84C, ARG205A, ARG205C, ARG212A, ARG212C, ARG276A, ARG276C, ARG66A, ARG66C, ARG9A, ARG9C, ASN199A, ASN199C, ASN204A, ASN204C, ASN86A, ASN86C, ASP174A, ASP174C, ASP80A, ASP80C, ASP82A, ASP82C, GLN279A, GLN279C, GLU173A, GLU173C, GLU6A, GLU6C, GLY107A, GLY107C, GLY112A, GLY112C, GLY11A, GLY11C, GLY148C, GLY215A, GLY215C, GLY278A, GLY278C, GLY61A, GLY61C, GLY62A, GLY62C, GLY87A, GLY87C, HIS110A, HIS110C, ILE104A, ILE104C, ILE88A, ILE88C, LEU106A, LEU106C, LEU113A, LEU113C, LEU13A, LEU13C, LEU201A, LEU201C, LEU213A, LEU213C, LEU8A, LEU8C, PHE244A, PHE244C, PHE60A, PHE60C, PHE63A, PHE63C, PHE90A, PHE90C, PRO109A, PRO109C, PRO12A, PRO12C, PRO147A, PRO147C, PRO277A, PRO277C, PRO83A, PRO83C, PRO89A, PRO89C, SER105A, SER105C, SER111A, SER111C, SER206A, SER206C, SER64A, SER64C, THR10A, THR10C, THR203A, THR203C, THR280A, THR280C, THR59A, THR59C, THR81A, THR81C, TRP200A, TRP200C, VAL103A, VAL103C, VAL175A, VAL175C, VAL176A, VAL202A, VAL202C, VAL214A, VAL214C, VAL275A, VAL275C, VAL58A, VAL58C, VAL7C, VAL85A, VAL85C
• C-D: ALA129D, ALA133D, ALA139C, ALA13D, ALA196D, ALA232C, ALA236C, ALA25C, ALA286C, ALA45D, ALA46D, ALA54D, ARG146D, ARG171D, ARG185C, ARG192D, ARG21C, ARG225C, ARG234C, ARG31C, ARG32D, ARG37C, ARG38C, ARG47D, ARG57D, ARG63D, ASN191D, ASN8D, ASP11D, ASP135C, ASP186C, ASP187C, ASP189D, ASP193D, ASP268C, ASP41D, CYS126D, GLN12D, GLN179C, GLN226C, GLN238C, GLN59D, GLU164D, GLU17D, GLU230C, GLU266C, GLU267C, GLY10D, GLY127D, GLY130C, GLY131D, GLY141C, GLY183C, GLY231C, GLY235C, GLY23C, GLY256C, GLY262C, GLY28C, GLY55D, HIS252C, HIS26C, HIS7D, ILE140C, ILE237C, ILE269C, ILE42D, LEU129C, LEU14D, LEU15D, LEU16D, LEU198D, LEU227C, LEU248C, LEU24C, LEU50D, LEU53D, LYS194D, LYS52D, PHE125D, PHE128D, PHE132D, PHE165D, PHE188D, PHE18D, PRO127C, PRO130D, PRO170D, PRO182C, PRO184C, PRO195D, PRO200D, PRO228C, PRO22C, PRO253C, PRO259C, PRO44D, PRO56D, SER138C, SER229C, SER32C, THR126C, THR199D, THR21D, THR233C, THR255C, THR265C, THR28D, THR30C, THR48D, THR5D, TRP177D, TYR134D, TYR258C, TYR287C, TYR9D, VAL123D, VAL128C, VAL180C, VAL181C, VAL190D, VAL24D, VAL254C, VAL260C, VAL263C, VAL264C, VAL29C, VAL39D, VAL40D, VAL43D, VAL49D, VAL51D, VAL6D
• C-H: ALA110H, ALA114H, ALA115H, ALA208H, ALA286C, ARG141H, ARG289C, ARG290C, ASP94H, GLN111H, HIS99H, ILE113H, LEU98H, PRO109H, PRO182C, PRO288C, PRO291C, THR108H, THR117H, TYR287C, TYR93H, VAL112H, VAL181C, VAL209H, VAL91H, VAL92H
• D-H: ALA102H, ALA110H, ALA60D, ARG141H, ARG57D, ARG63D, ARG65D, ASN8D, ASP11D, GLN111H, GLN143H, GLN59D, GLN64D, GLY106H, GLY10D, GLY67D, HIS7D, LEU104H, LEU14D, LYS68D, PRO109H, PRO145H, PRO56D, PRO61D, SER103H, THR105H, THR108H, THR62D, VAL101H, VAL112H, VAL144H, VAL6D
• E-F: ALA129F, ALA133F, ALA139E, ALA13F, ALA148F, ALA162F, ALA196F, ALA232E, ALA236E, ALA25E, ALA286E, ALA45F, ALA46F, ALA54F, ARG146F, ARG147F, ARG171F, ARG185E, ARG192F, ARG21E, ARG225E, ARG234E, ARG290E, ARG31E, ARG32F, ARG37E, ARG47F, ARG57F, ARG63F, ASN191F, ASN8F, ASP11F, ASP135E, ASP186E, ASP187E, ASP189F, ASP193F, ASP224E, ASP268E, ASP41F, CYS126F, GLN12F, GLN226E, GLN238E, GLN59F, GLU149F, GLU17F, GLU230E, GLU266E, GLU267E, GLY10F, GLY124F, GLY127F, GLY130E, GLY131F, GLY141E, GLY176F, GLY183E, GLY231E, GLY235E, GLY23E, GLY256E, GLY257E, GLY262E, GLY28E, GLY55F, HIS252E, HIS26E, HIS7F, ILE140E, ILE237E, ILE269E, ILE42F, LEU129E, LEU14F, LEU15F, LEU16F, LEU198F, LEU227E, LEU248E, LEU24E, LEU50F, LEU53F, LYS194F, LYS52F, PHE125F, PHE128F, PHE132F, PHE165F, PHE188F, PHE18F, PRO127E, PRO130F, PRO145F, PRO150F, PRO170F, PRO174F, PRO182E, PRO184E, PRO195F, PRO200F, PRO228E, PRO22E, PRO241E, PRO253E, PRO259E, PRO44F, PRO56F, SER138E, SER229E, SER32E, THR126E, THR199F, THR233E, THR255E, THR265E, THR28F, THR30E, THR48F, THR5F, TRP177F, TYR134F, TYR258E, TYR287E, TYR9F, VAL123F, VAL128E, VAL180E, VAL181E, VAL190F, VAL254E, VAL260E, VAL263E, VAL264E, VAL29E, VAL39F, VAL40F, VAL43F, VAL49F, VAL51F, VAL6F
• E-G: ALA108E, ALA108G, ALA172E, ALA172G, ALA65G, ALA84E, ALA84G, ARG205E, ARG205G, ARG212E, ARG212G, ARG276E, ARG276G, ARG66E, ARG66G, ARG9E, ARG9G, ASN199E, ASN199G, ASN204E, ASN204G, ASN86E, ASN86G, ASP174E, ASP174G, ASP80E, ASP80G, ASP82E, ASP82G, GLN279E, GLN279G, GLU173E, GLU173G, GLU6E, GLU6G, GLY107E, GLY107G, GLY112E, GLY112G, GLY11E, GLY11G, GLY148G, GLY215E, GLY215G, GLY278E, GLY278G, GLY61E, GLY61G, GLY62E, GLY62G, GLY87E, GLY87G, HIS110E, HIS110G, ILE104E, ILE104G, ILE88E, ILE88G, LEU106E, LEU106G, LEU113E, LEU113G, LEU13E, LEU13G, LEU201E, LEU201G, LEU213E, LEU213G, LEU8E, LEU8G, PHE244E, PHE244G, PHE60E, PHE60G, PHE63E, PHE63G, PHE90E, PHE90G, PRO109E, PRO109G, PRO12E, PRO12G, PRO147E, PRO147G, PRO277E, PRO277G, PRO83E, PRO83G, PRO89E, PRO89G, SER105E, SER105G, SER111E, SER111G, SER206E, SER206G, SER64E, SER64G, THR10E, THR10G, THR203E, THR203G, THR280E, THR280G, THR59E, THR59G, THR81E, THR81G, TRP200E, TRP200G, VAL103E, VAL103G, VAL175E, VAL175G, VAL202E, VAL202G, VAL214E, VAL214G, VAL275E, VAL275G, VAL58E, VAL58G, VAL7G, VAL85E, VAL85G
• G-H: ALA129H, ALA133H, ALA139G, ALA13H, ALA196H, ALA232G, ALA236G, ALA25G, ALA286G, ALA45H, ALA46H, ALA54H, ARG146H, ARG147H, ARG171H, ARG185G, ARG192H, ARG21G, ARG225G, ARG234G, ARG31G, ARG32H, ARG37G, ARG38G, ARG47H, ARG57H, ARG63H, ASN191H, ASN8H, ASP11H, ASP135G, ASP186G, ASP187G, ASP189H, ASP193H, ASP268G, ASP41H, CYS126H, GLN12H, GLN179G, GLN226G, GLN238G, GLN59H, GLU164H, GLU17H, GLU230G, GLU266G, GLU267G, GLY10H, GLY124H, GLY127H, GLY130G, GLY131H, GLY141G, GLY183G, GLY231G, GLY235G, GLY23G, GLY256G, GLY257G, GLY262G, GLY28G, GLY55H, HIS252G, HIS26G, HIS7H, ILE140G, ILE237G, ILE269G, ILE42H, LEU129G, LEU14H, LEU15H, LEU16H, LEU198H, LEU227G, LEU248G, LEU24G, LEU50H, LEU53H, LYS194H, LYS52H, PHE125H, PHE128H, PHE132H, PHE165H, PHE188H, PHE18H, PRO127G, PRO130H, PRO145H, PRO150H, PRO170H, PRO182G, PRO184G, PRO195H, PRO200H, PRO228G, PRO22G, PRO253G, PRO259G, PRO44H, PRO56H, SER138G, SER229G, SER32G, THR126G, THR199H, THR21H, THR233G, THR255G, THR265G, THR28H, THR30G, THR48H, THR5H, TRP177H, TYR134H, TYR258G, TYR287G, TYR9H, VAL123H, VAL128G, VAL180G, VAL181G, VAL190H, VAL24H, VAL254G, VAL260G, VAL263G, VAL264G, VAL29G, VAL39H, VAL40H, VAL43H, VAL49H, VAL51H, VAL6H