3TCG

crystal structure of e. coli oppa complexed with the tripeptide kge

• Total interactions analyzed: 120
• Total true interactions: 21
• Strongest Interaction:
  • Chains: D-L
  • Int. Res.: 58
  • Norm. En. per Res.: -4.1754
• Hub Node: B(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-E	-67.0866	31.9461	-170.358	-205.4985	101	13	2	6858	2	61	55
A-H	0.0	0.0	-0.0327	-0.0327	2	0	0	6	0	0	1
A-I	-64.761	1.8542	-138.623	-201.5298	57	11	0	4560	0	14	16
B-C	-19.3081	3.8586	-63.5191	-78.9686	36	2	0	2571	1	21	21
B-D	-59.9187	45.4685	-166.429	-180.8792	103	8	2	6884	1	61	55
B-G	-53.9388	-40.5955	-201.532	-296.0663	101	11	5	8285	4	37	44
B-J	-58.3818	-0.1407	-138.284	-196.8065	60	7	0	4610	1	14	16
C-G	-3.2599	-10.9703	-16.4074	-30.6375	18	0	0	823	1	6	8
C-K	-77.7713	-1.5462	-135.549	-214.8665	57	11	0	4575	2	14	17
D-F	-31.5011	-1.1378	-60.9425	-93.5814	33	4	0	2564	2	19	19
D-G	0.0	0.0	-0.0015	-0.0015	2	0	0	1	0	0	1
D-H	0.0	11.0966	-36.0742	-24.9776	47	5	0	2020	0	21	22
D-L	-81.8178	-22.326	-138.032	-242.1758	58	18	0	4621	1	13	14
E-G	-26.5491	-3.3757	-61.2746	-91.1994	36	2	0	2658	4	21	23
E-H	-44.3421	-32.1108	-173.999	-250.4519	96	3	5	7979	4	38	39
E-M	-71.3514	-0.1364	-132.389	-203.8768	57	9	0	4620	0	13	14
F-H	0.0	0.0	-2.7625	-2.7625	10	0	0	215	0	1	1
F-N	-70.12	-0.8151	-138.656	-209.5911	60	7	0	4634	0	13	14
G-H	-12.9396	-18.3351	-8.8485	-40.1232	15	1	0	489	2	8	10
G-O	-77.6138	1.8829	-138.154	-213.8848	63	8	0	4583	0	13	15
H-P	-61.7506	2.4854	-138.965	-198.2302	61	7	0	4576	0	14	16

Interface residues

• A-E: ALA351A, ALA351E, ALA486A, ALA486E, ALA490A, ALA490E, ALA83A, ALA83E, ALA95A, ALA95E, ARG103A, ARG103E, ARG488A, ARG488E, ARG536A, ARG536E, ASN238A, ASN238E, ASN92A, ASN92E, ASP28A, ASP28E, ASP349A, ASP349E, ASP484A, ASP484E, ASP528A, ASP528E, ASP77A, ASP77E, ASP79A, ASP79E, ASP91A, ASP91E, ASP94A, ASP94E, GLN487A, GLN487E, GLU485A, GLU485E, GLU88A, GLU88E, GLY350A, GLY350E, GLY526E, GLY80A, GLY80E, HIS101A, HIS101E, HIS81A, HIS81E, LEU78A, LEU78E, LYS183A, LYS183E, LYS241A, LYS241E, LYS352A, LYS352E, LYS527A, LYS527E, LYS93A, LYS93E, LYS96A, LYS96E, PRO177A, PRO177E, PRO179A, PRO179E, PRO529A, PRO529E, PRO82A, PRO82E, PRO84A, PRO84E, SER76A, SER76E, SER89A, SER89E, THR483A, THR483E, THR489A, THR489E, THR525A, THR525E, THR99A, THR99E, TRP237A, TRP237E, TRP90A, TRP90E, TRP98A, TRP98E, TYR182A, TYR182E, VAL482A, VAL482E, VAL75A, VAL75E, VAL97A, VAL97E
• A-H: ALA31A, ASP382H
• A-I: ALA440A, ALA444A, ARG430A, ARG439A, ARG515A, ARG67A, ASN271A, ASN272A, ASN392A, ASN513A, ASN532A, ASN64A, ASP445A, ASP528A, ASP531A, CYS297A, CYS443A, GLN50A, GLU3I, GLU58A, GLU62A, GLY2I, GLY441A, GLY59A, HIS187A, HIS397A, HIS431A, ILE57A, LEU296A, LEU396A, LEU427A, LEU530A, LYS1I, MET462A, PHE426A, PHE452A, PRO188A, PRO529A, PRO61A, SER273A, SER451A, SER63A, THR298A, THR455A, THR533A, TRP423A, TRP442A, TYR135A, TYR138A, TYR141A, TYR295A, TYR299A, TYR300A, TYR343A, TYR446A, TYR511A, VAL60A
• B-C: ALA132B, ALA197B, ARG125B, ARG263C, ASN130B, ASN210B, ASP128B, ASP288C, GLN207B, GLU199B, GLU203B, GLU285C, GLU289C, GLY202B, GLY265C, HIS543C, ILE198B, ILE286C, LEU282C, LYS200B, LYS204B, LYS281C, LYS283C, LYS284C, LYS518C, LYS56B, PHE201B, PRO129B, PRO208B, PRO287C, PRO519C, THR131B, TRP205B, TRP520C, TYR262C, VAL290C
• B-D: ALA351B, ALA351D, ALA486B, ALA486D, ALA490B, ALA490D, ALA83B, ALA83D, ALA95B, ALA95D, ARG103B, ARG103D, ARG488B, ARG488D, ARG536B, ARG536D, ASN238B, ASN238D, ASN537B, ASN92B, ASN92D, ASP28B, ASP28D, ASP349B, ASP349D, ASP484B, ASP484D, ASP528B, ASP528D, ASP77B, ASP77D, ASP79B, ASP79D, ASP91B, ASP91D, ASP94B, ASP94D, GLN487B, GLN487D, GLU485B, GLU485D, GLU88B, GLU88D, GLY350B, GLY350D, GLY526B, GLY526D, GLY80B, GLY80D, GLY85D, HIS101B, HIS101D, HIS81B, HIS81D, LEU78B, LEU78D, LYS183B, LYS183D, LYS241B, LYS241D, LYS352B, LYS352D, LYS527B, LYS527D, LYS93B, LYS93D, LYS96B, LYS96D, PRO177B, PRO177D, PRO179B, PRO179D, PRO529B, PRO529D, PRO82B, PRO82D, PRO84B, PRO84D, SER76B, SER76D, SER89B, SER89D, THR483B, THR483D, THR489B, THR489D, THR525B, THR525D, THR99B, THR99D, TRP237B, TRP237D, TRP90B, TRP90D, TRP98B, TRP98D, TYR182B, TYR182D, VAL482B, VAL75B, VAL75D, VAL97B, VAL97D
• B-G: ALA375B, ALA375G, ALA377B, ALA377G, ALA471B, ALA471G, ALA477B, ALA477G, ARG314B, ARG314G, ARG316B, ARG316G, ASN305B, ASN305G, ASN311B, ASN311G, ASP312B, ASP312G, ASP382B, ASP473B, ASP473G, ASP500B, ASP500G, ASP502B, ASP502G, GLN306B, GLN306G, GLN497B, GLN497G, GLN498B, GLN498G, GLU376B, GLU376G, GLU478B, GLU478G, GLY378B, GLY378G, HIS466B, HIS466G, ILE387B, ILE387G, ILE475B, ILE475G, LEU373G, LEU374B, LEU374G, LEU385B, LEU385G, LEU491B, LEU491G, LEU499B, LEU499G, LYS307B, LYS307G, LYS372G, LYS383B, LYS383G, LYS468B, LYS468G, LYS494B, LYS494G, LYS501B, LYS501G, MET476B, MET476G, PHE310B, PHE310G, PHE472B, PHE472G, PRO308B, PRO308G, PRO309B, PRO309G, PRO384B, PRO384G, PRO470B, PRO470G, SER458B, SER458G, SER469B, SER469G, SER474B, SER474G, SER503B, SER503G, THR317B, THR317G, THR380B, THR380G, THR386B, THR386G, THR479B, THR479G, TYR379B, TYR379G, TYR467B, TYR467G, VAL313B, VAL313G, VAL315B, VAL315G
• B-J: ALA440B, ALA444B, ARG430B, ARG439B, ARG515B, ARG67B, ASN271B, ASN272B, ASN392B, ASN45B, ASN513B, ASN532B, ASN64B, ASP445B, ASP531B, CYS297B, CYS443B, GLN50B, GLU3J, GLU58B, GLU62B, GLY2J, GLY441B, GLY46B, GLY59B, HIS187B, HIS397B, HIS431B, ILE57B, LEU296B, LEU396B, LEU427B, LEU530B, LYS1J, MET462B, PHE426B, PHE452B, PRO188B, PRO61B, SER189B, SER273B, SER451B, SER63B, SER76B, THR298B, THR455B, TRP423B, TRP442B, TYR135B, TYR138B, TYR141B, TYR295B, TYR299B, TYR300B, TYR446B, TYR509B, TYR511B, VAL186B, VAL512B, VAL60B
• C-G: ALA196G, ALA197G, ALA381C, ASN415C, ASP382C, GLU199G, GLU203G, GLY202G, GLY413C, ILE198G, LYS200G, LYS204G, LYS383C, LYS409C, LYS410C, PHE201G, PRO384C, THR380C
• C-K: ALA440C, ALA444C, ARG430C, ARG439C, ARG67C, ASN271C, ASN272C, ASN392C, ASN532C, ASN64C, ASP445C, ASP528C, ASP531C, CYS297C, CYS443C, GLN50C, GLU3K, GLU58C, GLU62C, GLY2K, GLY441C, GLY59C, HIS187C, HIS397C, ILE57C, LEU296C, LEU396C, LEU427C, LEU530C, LYS1K, MET462C, PHE426C, PHE452C, PRO188C, PRO529C, PRO61C, SER273C, SER451C, SER47C, SER63C, SER76C, THR298C, THR455C, THR533C, TRP423C, TRP442C, TYR135C, TYR138C, TYR141C, TYR295C, TYR299C, TYR300C, TYR343C, TYR446C, TYR511C, VAL186C, VAL60C
• D-F: ALA132D, ALA197D, ARG125D, ARG263F, ASN130D, ASN210D, ASP288F, GLN207D, GLU199D, GLU203D, GLU285F, GLU289F, GLY202D, GLY265F, ILE198D, ILE286F, LEU282F, LYS200D, LYS204D, LYS281F, LYS283F, LYS284F, LYS518F, LYS56D, PHE201D, PRO129D, PRO287F, PRO519F, THR131D, TRP205D, TRP520F, TYR262F, VAL290F
• D-G: ALA31D, ASP382G
• D-H: ALA240D, ALA240H, ARG103D, ARG232D, ARG232H, ASN238D, ASN238H, ASN239D, ASN239H, ASN245D, ASP105D, ASP105H, ASP110H, GLU231H, GLU37D, GLU37H, GLU88D, GLY111D, GLY111H, LYS104D, LYS104H, LYS107D, LYS107H, LYS220D, LYS220H, LYS241D, LYS241H, PRO113H, PRO234D, PRO234H, SER109D, SER109H, SER233D, SER233H, THR112H, THR235D, THR235H, THR242D, THR242H, TRP108D, TRP108H, TRP237D, TRP237H, TYR236D, TYR236H, VAL243D, VAL243H
• D-L: ALA440D, ALA444D, ARG430D, ARG439D, ARG67D, ASN271D, ASN272D, ASN392D, ASN532D, ASN64D, ASP445D, ASP528D, ASP531D, CYS297D, CYS443D, GLN50D, GLU3L, GLU58D, GLU62D, GLY2L, GLY441D, GLY46D, GLY59D, HIS187D, HIS397D, HIS431D, ILE57D, LEU296D, LEU396D, LEU427D, LEU530D, LYS1L, MET462D, PHE426D, PHE452D, PRO188D, PRO529D, PRO61D, SER273D, SER451D, SER63D, THR298D, THR455D, THR533D, TRP423D, TRP442D, TYR135D, TYR138D, TYR141D, TYR295D, TYR299D, TYR300D, TYR343D, TYR446D, TYR511D, VAL186D, VAL512D, VAL60D
• E-G: ALA132E, ALA197E, ARG125E, ARG263G, ASN130E, ASN210E, ASP221E, ASP288G, GLN207E, GLU199E, GLU203E, GLU285G, GLU289G, GLY202E, GLY265G, HIS543G, ILE198E, ILE286G, LEU282G, LYS200E, LYS204E, LYS281G, LYS283G, LYS284G, LYS518G, LYS56E, PHE201E, PRO129E, PRO208E, PRO287G, PRO519G, THR131E, TRP205E, TRP520G, TYR262G, VAL223E
• E-H: ALA375E, ALA375H, ALA377E, ALA377H, ALA471E, ALA471H, ALA477E, ALA495H, ARG314E, ARG314H, ARG316E, ARG316H, ASN305E, ASN305H, ASN311E, ASN311H, ASP312E, ASP312H, ASP473E, ASP473H, ASP500E, ASP500H, ASP502E, ASP502H, GLN306E, GLN306H, GLN497E, GLN497H, GLN498E, GLN498H, GLU376E, GLU376H, GLU478E, GLU478H, GLY378E, GLY378H, HIS466E, HIS466H, ILE475E, ILE475H, LEU373E, LEU373H, LEU374E, LEU374H, LEU385E, LEU385H, LEU491E, LEU491H, LEU499E, LYS307E, LYS307H, LYS320E, LYS320H, LYS372H, LYS383E, LYS383H, LYS468E, LYS468H, LYS494E, LYS494H, LYS501E, LYS501H, MET476E, MET476H, PHE310E, PHE310H, PHE472E, PHE472H, PRO308E, PRO308H, PRO309E, PRO309H, PRO470E, PRO470H, SER458E, SER458H, SER469E, SER469H, SER474E, SER474H, SER503E, SER503H, THR317E, THR317H, THR380E, THR380H, THR386E, THR386H, TYR379E, TYR379H, TYR467E, TYR467H, VAL313E, VAL313H, VAL315E, VAL315H
• E-M: ALA440E, ALA444E, ARG430E, ARG439E, ARG515E, ARG67E, ASN271E, ASN272E, ASN392E, ASN532E, ASN64E, ASP445E, ASP531E, CYS297E, CYS443E, GLN50E, GLU3M, GLU58E, GLU62E, GLY2M, GLY441E, GLY46E, GLY59E, HIS187E, HIS397E, HIS431E, ILE57E, LEU427E, LEU530E, LYS1M, MET462E, PHE426E, PHE452E, PRO188E, PRO61E, SER189E, SER273E, SER451E, SER63E, SER66E, SER76E, THR298E, THR455E, THR533E, TRP423E, TRP442E, TYR135E, TYR138E, TYR141E, TYR295E, TYR299E, TYR300E, TYR446E, TYR511E, TYR534E, VAL186E, VAL60E
• F-H: ALA31F, ALA31H, GLY32F, GLY32H, LYS542F, LYS542H, THR34F, THR34H, VAL33F, VAL33H
• F-N: ALA440F, ALA444F, ARG430F, ARG439F, ARG515F, ARG67F, ASN271F, ASN272F, ASN392F, ASN513F, ASN532F, ASN64F, ASP445F, ASP528F, ASP531F, CYS297F, CYS443F, GLN50F, GLU3N, GLU58F, GLU62F, GLY2N, GLY441F, GLY46F, GLY59F, HIS187F, HIS397F, HIS431F, ILE57F, LEU296F, LEU427F, LEU530F, LYS1N, MET462F, PHE426F, PHE452F, PRO188F, PRO61F, SER189F, SER273F, SER451F, SER47F, SER63F, SER66F, THR298F, THR455F, THR464F, THR533F, TRP423F, TRP442F, TYR135F, TYR138F, TYR141F, TYR295F, TYR299F, TYR300F, TYR446F, TYR511F, VAL186F, VAL60F
• G-H: ALA196H, ALA381G, ASN415G, ASP382G, GLU199H, GLY202H, GLY413G, LYS195H, LYS200H, LYS371G, LYS409G, LYS410G, PRO384G, THR380G, THR386G
• G-O: ALA440G, ALA444G, ARG430G, ARG439G, ARG515G, ARG67G, ASN271G, ASN272G, ASN392G, ASN45G, ASN532G, ASN64G, ASP445G, ASP531G, CYS297G, CYS443G, GLN50G, GLU3O, GLU58G, GLU62G, GLY2O, GLY441G, GLY46G, GLY59G, HIS187G, HIS397G, HIS431G, ILE57G, LEU296G, LEU396G, LEU427G, LEU530G, LYS1O, MET462G, PHE426G, PHE452G, PRO188G, PRO61G, SER189G, SER273G, SER451G, SER47G, SER63G, SER66G, SER76G, THR298G, THR455G, THR533G, TRP423G, TRP442G, TYR135G, TYR138G, TYR141G, TYR295G, TYR299G, TYR300G, TYR343G, TYR446G, TYR511G, TYR534G, VAL186G, VAL512G, VAL60G
• H-P: ALA440H, ALA444H, ARG430H, ARG439H, ARG515H, ARG67H, ASN271H, ASN272H, ASN392H, ASN532H, ASN64H, ASP445H, ASP531H, CYS297H, CYS443H, GLN50H, GLU3P, GLU58H, GLU62H, GLY2P, GLY441H, GLY46H, GLY59H, HIS187H, HIS397H, ILE57H, LEU296H, LEU396H, LEU427H, LEU530H, LYS1P, MET462H, PHE426H, PHE452H, PRO188H, PRO61H, SER189H, SER273H, SER451H, SER47H, SER63H, SER66H, SER76H, THR298H, THR455H, THR533H, TRP423H, TRP442H, TYR135H, TYR138H, TYR141H, TYR295H, TYR299H, TYR300H, TYR343H, TYR446H, TYR511H, TYR534H, VAL186H, VAL512H, VAL60H