3LIB

crystal structure of the extracellular domain of the putative histidine kinase mmhk1s-z3

• Total interactions analyzed: 45
• Total true interactions: 19
• Strongest Interaction:
  • Chains: G-H
  • Int. Res.: 143
  • Norm. En. per Res.: -3.0655
• 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	-80.7943	-1.9154	-318.956	-401.6657	148	21	7	13708	6	31	62
A-C	0.0	-2.5717	-42.7355	-45.3072	38	8	0	2205	1	12	16
A-D	-7.3289	-2.6775	-99.2758	-109.2822	79	5	3	4851	3	47	57
A-H	0.0	3.7215	-34.7237	-31.0022	31	5	0	2000	0	11	14
B-C	0.0	38.92	-44.3632	-5.4432	41	6	0	2759	0	26	22
B-D	-11.4865	-12.5815	-26.7029	-50.7708	36	10	0	2144	2	12	15
C-D	-66.9715	-27.1178	-326.668	-420.7574	147	26	7	13897	6	31	57
C-E	-55.1836	-8.9799	-109.76	-173.9235	84	18	3	5300	3	48	63
C-F	-17.0592	-27.3407	-35.758	-80.158	38	8	0	2335	3	11	15
C-J	0.0	7.4257	-44.4874	-37.0617	31	0	0	2086	0	10	15
D-E	-4.6672	-14.6848	-38.3028	-57.6548	34	7	0	1862	0	11	13
D-F	0.0	-2.985	-6.6477	-9.6328	21	0	0	872	0	17	16
E-F	-46.9814	-10.6517	-318.213	-375.846	141	32	7	13923	7	27	58
G-H	-58.4543	-31.7911	-348.117	-438.3624	143	31	7	14193	6	28	56
G-I	-13.7614	-12.5242	-23.2367	-49.5222	34	14	0	2207	1	11	15
G-J	-29.4271	-6.1043	-104.122	-139.6534	78	3	3	4898	3	46	56
H-I	-27.6558	-6.3072	-51.904	-85.867	48	10	0	3284	0	23	20
H-J	-6.8773	-22.1445	-38.3702	-67.392	38	9	0	2379	1	11	15
I-J	-70.426	-0.3719	-308.64	-379.4379	143	16	7	13430	4	32	63

Interface residues

• A-B: ALA42B, ALA50A, ALA50B, ALA54A, ALA54B, ALA59A, ALA59B, ALA63A, ALA63B, ALA66A, ALA66B, ALA68A, ALA68B, ALA81A, ALA81B, ALA86A, ALA86B, ARG308B, ARG69A, ARG69B, ARG95A, ARG95B, ASN52A, ASN52B, ASN55A, ASN55B, ASN64A, ASN64B, ASN92A, ASN92B, ASN97A, ASN97B, ASP165A, ASP165B, ASP306A, ASP306B, ASP58A, ASP58B, ASP60A, ASP60B, ASP82A, ASP82B, ASP84A, ASP84B, ASP96A, ASP96B, CB6.7788037.51539, GLN44A, GLN44B, GLN45A, GLN45B, GLN56A, GLN56B, GLU282A, GLU282B, GLU285A, GLU285B, GLU309A, GLU309B, GLU39A, GLU39A5, GLU39B, GLU48A, GLU48B, GLU76A, GLU76B, GLU79A, GLU79B, GLU85A, GLU85B, GLU91A, GLU91B, HIS99A, HIS99B, ILE67A, ILE67B, ILE71A, ILE71B, ILE89A, ILE89B, LEU100A, LEU100B, LEU293B, LEU307A, LEU307B, LEU41A, LEU41B, LEU65A, LEU65B, LEU87A, LEU87B, LEU88A, LEU88B, LEU90A, LEU90B, LEU93A, LEU93B, LEU94A, LEU94B, LYS187A, LYS187B, LYS40A, LYS40B, LYS62A, LYS62B, MET186A, MET186B, MET49A, MET49B, MET61A, MET61B, MET75A, MET75B, PHE57A, PHE57B, PRO98A, PRO98B, SER183A, SER183B, SER46A, SER46B, SER51A, SER51B, SER72A, SER72B, SER77A, SER77B, THR103A, THR103B, THR286A, THR286B, THR70A, THR70B, THR73A, THR73B, THR74A, THR74B, THR80A, THR80B, TYR203A, TYR53A, TYR53B, TYR78A, TYR78B, VAL197A, VAL197B, VAL47A, VAL47B
• A-C: ALA142C, ALA254A, ARG256A, ARG95C, ASN139C, ASN260A, ASN92C, ASN97C, ASP257A, ASP96C, GLU249A, GLU250A, GLU252A, GLU267A, GLU91C, GLY140C, GLY261A, GLY263A, GLY264A, HIS265A, HIS99C, ILE258A, ILE262A, ILE89C, LEU266A, LEU88C, LEU93C, LEU94C, LYS137C, LYS253A, LYS259A, PRO98C, SER143C, SER255A, THR141C, TRP135C, TYR281A, TYR43A
• A-D: ALA161A, ALA161D, ARG256A, ARG256D, ARG69A, ARG69D, ASN224A, ASN224D, ASN260A, ASN260D, ASP154A, ASP154D, ASP165A, ASP242A, ASP242D, ASP288A, ASP288D, GLN157A, GLN157D, GLU163A, GLU163D, GLU169A, GLU169D, GLU188A, GLU188D, GLU190A, GLU190D, GLU249A, GLU249D, GLU252A, GLU252D, GLU76A, GLU76D, GLY189A, GLY189D, GLY261A, GLY261D, GLY287A, GLY287D, ILE258A, ILE258D, ILE262A, ILE262D, LEU158A, LEU158D, LYS160A, LYS160D, LYS164A, LYS164D, LYS187A, LYS187D, LYS259A, LYS259D, MET186A, MET186D, PHE191A, PHE191D, PHE289A, PHE289D, PRO159A, PRO159D, PRO184A, PRO184D, SER225A, SER225D, SER255A, SER255D, SER72D, SER77A, SER77D, THR162A, THR162D, THR73A, THR73D, THR74D, TYR244A, TYR244D, VAL166A, VAL166D
• A-H: ALA117H, ALA269A, ALA302A, ARG83H, ASN121H, ASP116H, ASP126H, ASP215A, ASP270A, ASP84H, GLU118H, GLU298A, GLU299A, GLY274A, HIS125H, HIS234A, LEU301A, LEU87H, LYS115H, LYS275A, PRO123H, PRO271A, PRO296A, SER122H, THR120H, THR216A, THR233A, THR272A, THR273A, THR276A, TYR119H
• B-C: ARG212B, ARG212C, ASP205B, ASP215B, ASP215C, ASP236B, ASP236C, GLU206B, GLU299B, GLU299C, GLY217B, GLY217C, HIS231B, HIS231C, HIS234B, HIS234C, LYS210B, LYS210C, LYS235B, LYS235C, LYS275B, PHE214B, PHE214C, PRO232B, PRO232C, SER209B, SER209C, THR213C, THR216B, THR216C, THR233B, THR233C, THR272B, THR272C, TYR218B, TYR218C, TYR53B, TYR53C, VAL208B, VAL211B, VAL211C
• B-D: ALA142B, ALA254D, ARG256D, ARG95B, ASN139B, ASN260D, ASN92B, ASN97B, ASP257D, ASP96B, GLU249D, GLU250D, GLU252D, GLU91B, GLY140B, GLY261D, GLY263D, GLY264D, HIS265D, HIS99B, ILE258D, ILE262D, LEU251D, LEU266D, LEU88B, LEU93B, LEU94B, LYS137B, LYS253D, LYS259D, PRO98B, SER143B, SER255D, THR141B, TRP135B, TYR281D
• C-D: ALA305C, ALA42C, ALA42D, ALA50C, ALA50D, ALA54C, ALA54D, ALA59C, ALA59D, ALA63C, ALA63D, ALA66C, ALA66D, ALA68C, ALA68D, ALA81C, ALA81D, ALA86C, ALA86D, ARG308D, ARG69C, ARG69D, ARG95C, ARG95D, ASN52C, ASN52D, ASN55C, ASN55D, ASN64C, ASN64D, ASN92C, ASN92D, ASN97C, ASN97D, ASP165C, ASP165D, ASP306C, ASP306D, ASP58C, ASP58D, ASP60C, ASP60D, ASP82C, ASP82D, ASP84C, ASP84D, ASP96C, ASP96D, GLN44C, GLN44D, GLN45C, GLN45D, GLN56C, GLN56D, GLU188C, GLU188D, GLU282C, GLU282D, GLU285C, GLU285D, GLU309D, GLU39C, GLU39D, GLU48C, GLU48D, GLU76C, GLU76D, GLU79C, GLU79D, GLU85C, GLU85D, GLU91C, GLU91D, GLY303C, HIS99C, HIS99D, ILE67C, ILE67D, ILE71C, ILE71D, ILE89C, ILE89D, LEU100C, LEU100D, LEU293C, LEU307D, LEU41C, LEU41D, LEU65C, LEU65D, LEU87C, LEU87D, LEU88C, LEU88D, LEU90C, LEU90D, LEU93C, LEU93D, LEU94C, LEU94D, LYS187C, LYS187D, LYS62C, LYS62D, MET186C, MET49C, MET49D, MET61C, MET61D, MET75C, MET75D, PHE57C, PHE57D, PRO98C, PRO98D, SER183C, SER183D, SER46C, SER46D, SER51C, SER51D, SER72C, SER72D, SER77C, SER77D, THR103C, THR103D, THR286C, THR286D, THR70C, THR70D, THR73C, THR73D, THR74C, THR74D, THR80C, THR80D, TYR43D, TYR53C, TYR53D, TYR78C, TYR78D, VAL197C, VAL197D, VAL304C, VAL47C, VAL47D
• C-E: ALA161C, ALA161E, ARG256C, ARG256E, ARG69C, ARG69E, ASN224C, ASN224E, ASN260C, ASN260E, ASP154C, ASP154E, ASP165C, ASP165E, ASP242C, ASP242E, ASP288C, ASP288E, GLN157C, GLN157E, GLU163C, GLU163E, GLU169C, GLU169E, GLU188C, GLU188E, GLU190C, GLU190E, GLU249C, GLU249E, GLU252C, GLU252E, GLU76C, GLU76E, GLY189C, GLY189E, GLY226E, GLY261C, GLY261E, GLY287C, GLY287E, ILE185C, ILE185E, ILE258C, ILE258E, ILE262C, ILE262E, LEU158C, LEU158E, LYS160C, LYS160E, LYS164C, LYS164E, LYS187C, LYS187E, LYS259C, LYS259E, MET186C, MET186E, PHE191C, PHE191E, PHE289C, PHE289E, PRO159C, PRO159E, PRO184C, PRO184E, SER225C, SER225E, SER255C, SER255E, SER72C, SER72E, SER77C, SER77E, THR162C, THR162E, THR73C, THR73E, THR74E, TYR244C, TYR244E, VAL166C, VAL166E
• C-F: ALA142F, ALA254C, ARG256C, ARG95F, ASN139F, ASN260C, ASN92F, ASN97F, ASP257C, ASP96F, GLN44C, GLU249C, GLU250C, GLU252C, GLU91F, GLY140F, GLY261C, GLY263C, GLY264C, HIS265C, HIS99F, ILE258C, ILE262C, ILE89F, LEU266C, LEU88F, LEU93F, LEU94F, LYS137F, LYS253C, LYS259C, LYS40C, PRO98F, SER255C, THR141F, TRP135F, TYR281C, TYR43C
• C-J: ALA117C, ALA269J, ARG83C, ASN121C, ASP116C, ASP215J, ASP270J, ASP84C, GLU118C, GLU298J, GLU299J, GLY127C, GLY129C, GLY274J, HIS125C, HIS234J, LEU301J, LYS115C, LYS275J, LYS297J, PRO123C, PRO271J, PRO296J, SER122C, THR120C, THR216J, THR233J, THR272J, THR273J, THR276J, TYR119C
• D-E: ALA142D, ALA254E, ARG256E, ARG95D, ASN139D, ASN260E, ASN92D, ASN97D, ASP257E, ASP96D, GLU249E, GLU250E, GLU252E, GLU91D, GLY140D, GLY261E, GLY263E, HIS265E, HIS99D, ILE262E, ILE89D, LEU266E, LEU88D, LEU93D, LEU94D, LYS137D, LYS253E, LYS259E, LYS40E, PRO98D, SER255E, THR141D, TRP135D, TYR281E
• D-F: ARG212D, ARG212F, ASP215D, ASP215F, LYS210D, LYS210F, LYS235D, LYS235F, PHE214D, PHE214F, PRO232D, PRO232F, SER209D, SER209F, THR216D, THR216F, THR233D, THR233F, TYR53D, VAL211D, VAL211F
• E-F: ALA42E, ALA42F, ALA50E, ALA50F, ALA54E, ALA54F, ALA59E, ALA59F, ALA63E, ALA63F, ALA66E, ALA66F, ALA68E, ALA68F, ALA81E, ALA81F, ALA86E, ALA86F, ARG69E, ARG69F, ARG95E, ARG95F, ASN52E, ASN52F, ASN55E, ASN55F, ASN64E, ASN64F, ASN92E, ASN92F, ASN97E, ASN97F, ASP165E, ASP165F, ASP306E, ASP58E, ASP58F, ASP60E, ASP60F, ASP82E, ASP82F, ASP84E, ASP84F, ASP96E, ASP96F, GLN44E, GLN44F, GLN45E, GLN45F, GLN56E, GLN56F, GLU282E, GLU282F, GLU285E, GLU285F, GLU309F, GLU39E, GLU39F, GLU48E, GLU48F, GLU76E, GLU76F, GLU79E, GLU79F, GLU85E, GLU85F, GLU91E, GLU91F, GLY303F, HIS99E, HIS99F, ILE67E, ILE67F, ILE71E, ILE71F, ILE89E, ILE89F, LEU100E, LEU100F, LEU307F, LEU41E, LEU41F, LEU65E, LEU65F, LEU87E, LEU87F, LEU88E, LEU88F, LEU90E, LEU90F, LEU93E, LEU93F, LEU94E, LEU94F, LYS187E, LYS187F, LYS40E, LYS62E, LYS62F, MET186E, MET49E, MET49F, MET61E, MET61F, MET75E, MET75F, PHE57E, PHE57F, PRO98E, PRO98F, SER183E, SER183F, SER46E, SER46F, SER51E, SER51F, SER72E, SER72F, SER77E, SER77F, THR103E, THR103F, THR286E, THR286F, THR70E, THR70F, THR73E, THR73F, THR74E, THR74F, THR80E, THR80F, TYR203F, TYR53E, TYR53F, TYR78E, TYR78F, VAL197E, VAL197F, VAL47E, VAL47F
• G-H: ALA42G, ALA42H, ALA50G, ALA50H, ALA54G, ALA54H, ALA59G, ALA59H, ALA63G, ALA63H, ALA66G, ALA66H, ALA68G, ALA68H, ALA81G, ALA81H, ALA86G, ALA86H, ARG308G, ARG69G, ARG69H, ARG95G, ARG95H, ASN52G, ASN52H, ASN55G, ASN55H, ASN64G, ASN64H, ASN92G, ASN92H, ASN97G, ASN97H, ASP165G, ASP165H, ASP306G, ASP58G, ASP58H, ASP60G, ASP60H, ASP82G, ASP82H, ASP84G, ASP84H, ASP96G, ASP96H, GLN44G, GLN44H, GLN45G, GLN45H, GLN56G, GLN56H, GLU282G, GLU282H, GLU285G, GLU285H, GLU39G, GLU39H, GLU48G, GLU48H, GLU76G, GLU76H, GLU79G, GLU79H, GLU85G, GLU85H, GLU91G, GLU91H, GLY303H, HIS99G, HIS99H, ILE67G, ILE67H, ILE71G, ILE71H, ILE89G, ILE89H, LEU100G, LEU100H, LEU293H, LEU307G, LEU41G, LEU41H, LEU65G, LEU65H, LEU87G, LEU87H, LEU88G, LEU88H, LEU90G, LEU90H, LEU93G, LEU93H, LEU94G, LEU94H, LYS187G, LYS187H, LYS40G, LYS62G, LYS62H, MET49G, MET49H, MET61G, MET61H, MET75G, MET75H, PHE214H, PHE57G, PHE57H, PRO98G, PRO98H, SER183G, SER183H, SER46G, SER46H, SER51G, SER51H, SER72G, SER72H, SER77G, SER77H, THR103G, THR103H, THR286G, THR286H, THR70G, THR70H, THR73G, THR73H, THR74G, THR74H, THR80G, THR80H, TYR203G, TYR53G, TYR53H, TYR78G, TYR78H, VAL197G, VAL197H, VAL304H, VAL47G, VAL47H
• G-I: ALA142I, ALA254G, ARG256G, ARG95I, ASN260G, ASN92I, ASN97I, ASP257G, ASP96I, GLU249G, GLU250G, GLU252G, GLU91I, GLY140I, GLY261G, GLY263G, GLY264G, HIS265G, HIS99I, ILE258G, ILE262G, LEU251G, LEU266G, LEU88I, LEU93I, LEU94I, LYS137I, LYS253G, LYS259G, PRO98I, SER255G, THR141I, TRP135I, TYR281G
• G-J: ALA161G, ALA161J, ARG256G, ARG256J, ARG69G, ARG69J, ASN224G, ASN224J, ASN260G, ASN260J, ASP154G, ASP154J, ASP165J, ASP242G, ASP242J, ASP288G, ASP288J, GLN157G, GLN157J, GLU163G, GLU163J, GLU169G, GLU169J, GLU188G, GLU188J, GLU190G, GLU190J, GLU249G, GLU249J, GLU252G, GLU252J, GLU76G, GLU76J, GLY189G, GLY189J, GLY261G, GLY261J, GLY287G, GLY287J, ILE258G, ILE258J, ILE262G, ILE262J, LEU158G, LEU158J, LYS160G, LYS160J, LYS164G, LYS164J, LYS187G, LYS187J, LYS259G, LYS259J, MET186G, MET186J, PHE191G, PHE191J, PHE289G, PHE289J, PRO159G, PRO159J, PRO184G, PRO184J, SER225G, SER225J, SER255G, SER255J, SER72G, SER77G, SER77J, THR162G, THR162J, THR73G, THR73J, TYR244G, TYR244J, VAL166G, VAL166J
• H-I: ALA219H, ARG212H, ARG212I, ASP205H, ASP205I, ASP215H, ASP215I, ASP236H, ASP236I, GLU202I, GLU206H, GLU206I, GLU299H, GLU299I, GLY217H, GLY217I, HIS231H, HIS231I, HIS234H, HIS234I, ILE238I, LYS210H, LYS210I, LYS235H, LYS235I, LYS275I, PHE214H, PHE214I, PRO232H, PRO232I, SER209H, SER209I, SER230I, THR213H, THR216H, THR216I, THR233H, THR233I, THR272H, THR272I, TYR218H, TYR53H, TYR53I, VAL207I, VAL208H, VAL208I, VAL211H, VAL211I
• H-J: ALA142H, ALA254J, ARG256J, ARG95H, ASN139H, ASN260J, ASN92H, ASN97H, ASP257J, ASP96H, GLU249J, GLU250J, GLU252J, GLU267J, GLU91H, GLY140H, GLY261J, GLY263J, GLY264J, HIS265J, HIS99H, ILE258J, ILE262J, ILE89H, LEU266J, LEU88H, LEU93H, LEU94H, LYS137H, LYS253J, LYS259J, LYS40J, PRO98H, SER255J, THR141H, TRP135H, TYR281J, TYR43J
• I-J: ALA42I, ALA42J, ALA50I, ALA50J, ALA54I, ALA54J, ALA59I, ALA59J, ALA63I, ALA63J, ALA66I, ALA66J, ALA68I, ALA68J, ALA81I, ALA81J, ALA86I, ALA86J, ARG308I, ARG308J, ARG69I, ARG69J, ARG95I, ARG95J, ASN52I, ASN52J, ASN55I, ASN55J, ASN64I, ASN64J, ASN92I, ASN92J, ASN97I, ASN97J, ASP165I, ASP165J, ASP306I, ASP58I, ASP58J, ASP60I, ASP60J, ASP82I, ASP82J, ASP84I, ASP84J, ASP96I, ASP96J, GLN44I, GLN44J, GLN45I, GLN45J, GLN56I, GLN56J, GLU282I, GLU282J, GLU285I, GLU285J, GLU309I, GLU309J, GLU39I, GLU39J, GLU48I, GLU48J, GLU76I, GLU76J, GLU79I, GLU79J, GLU85I, GLU85J, GLU91I, GLU91J, HIS99I, HIS99J, ILE67I, ILE67J, ILE71I, ILE71J, ILE89I, ILE89J, LEU100I, LEU100J, LEU307I, LEU307J, LEU41I, LEU41J, LEU65I, LEU65J, LEU87I, LEU87J, LEU88I, LEU88J, LEU90I, LEU90J, LEU93I, LEU93J, LEU94I, LEU94J, LYS187I, LYS187J, LYS40J, LYS62I, LYS62J, MET186I, MET186J, MET49I, MET49J, MET61I, MET61J, MET75I, MET75J, PHE57I, PHE57J, PRO98I, PRO98J, SER183I, SER183J, SER46I, SER51I, SER51J, SER72I, SER72J, SER77I, SER77J, THR103I, THR103J, THR286I, THR286J, THR70I, THR70J, THR73I, THR73J, THR74I, THR74J, THR80I, THR80J, TYR53I, TYR53J, TYR78I, TYR78J, VAL197I, VAL197J, VAL47I, VAL47J