3I38

structure of a putative chaperone protein dnaj from klebsiella pneumoniae subsp. pneumoniae mgh 78578

• Total interactions analyzed: 66
• Total true interactions: 21
• Strongest Interaction:
  • Chains: K-L
  • Int. Res.: 128
  • Norm. En. per Res.: -5.0597
• Hub Node: A(5)

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	-26.5753	-61.3578	-549.81	-637.743	135	10	18	21736	8	17	21
A-C	0.0	8.1951	-22.2344	-14.0393	20	0	0	1259	0	4	3
A-D	0.0	4.577	-8.67	-4.093	11	0	0	639	0	6	4
A-E	0.0	0.0	-0.1576	-0.1576	4	0	0	52	0	2	2
A-F	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	0	0
B-C	-8.4974	-33.3736	-9.8079	-51.6789	26	0	0	648	3	15	10
B-D	0.0	-12.0533	-55.3106	-67.3639	41	0	3	2823	0	9	6
B-F	0.0	-0.0698	-69.967	-70.0368	42	2	5	3580	0	6	12
B-J	-6.6644	-15.3695	-17.1649	-39.1988	19	1	0	628	1	4	5
C-D	-22.8172	-54.4977	-522.023	-599.3378	135	12	15	21407	8	17	20
C-I	-29.1787	0.0	-84.4469	-113.6256	36	6	8	3835	0	2	5
D-J	0.0	4.5877	-3.6247	0.963	15	0	0	305	0	6	5
E-F	-33.7714	-47.4722	-499.353	-580.5965	133	17	16	21207	7	16	20
E-H	-19.2545	0.0	-53.9135	-73.168	33	8	5	3223	0	1	4
F-G	0.0	2.2563	-3.2361	-0.9798	9	0	0	235	0	5	3
G-H	-25.7238	-75.6903	-525.16	-626.5741	131	11	16	21128	8	17	20
G-L	0.0	-2.242	-78.5082	-80.7502	43	1	5	3896	0	3	8
H-J	0.0	0.0	-0.0203	-0.0203	4	0	0	15	0	1	1
H-K	0.0	0.0	-0.1407	-0.1407	4	0	0	42	0	2	0
I-J	-32.046	-61.4372	-534.041	-627.5242	135	25	17	21546	7	16	20
K-L	-19.2064	-65.6113	-562.828	-647.6456	128	13	18	21963	8	17	20

Interface residues

• A-B: ALA217A, ALA217B, ALA221A, ALA221B, ALA222A, ALA222B, ALA225A, ALA225B, ALA246A, ALA246B, ALA268A, ALA268B, ALA282A, ALA282B, ALA290A, ALA290B, ALA291A, ALA291B, ALA292A, ALA292B, ALA294A, ALA294B, ARG283A, ARG283B, ARG299A, ARG299B, ASP279A, ASP279B, ASP297A, ASP297B, GLN245A, GLN245B, GLN287A, GLN287B, GLN288A, GLN288B, GLU220A, GLU220B, GLU280A, GLU280B, GLU284A, GLU284B, GLU293A, GLU293B, GLY224A, GLY224B, GLY243A, GLY243B, GLY247A, GLY247B, HIS200A, HIS200B, ILE212A, ILE212B, ILE236A, ILE236B, ILE270A, ILE270B, ILE272A, ILE272B, LEU202A, LEU202B, LEU214A, LEU214B, LEU216A, LEU216B, LEU223A, LEU223B, LEU238A, LEU238B, LEU285A, LEU285B, LEU289A, LEU289B, LYS226A, LYS226B, LYS271A, LYS271B, LYS277A, LYS277B, LYS281A, LYS281B, LYS300A, LYS300B, PHE203A, PHE203B, PHE296A, PHE296B, PRO201A, PRO215A, PRO215B, PRO218A, PRO218B, PRO230A, PRO230B, PRO241A, PRO241B, PRO242A, PRO242B, PRO275A, PRO275B, PRO278A, PRO278B, PRO298A, PRO298B, SER235A, SER235B, SER244A, SER244B, SER295A, SER295B, THR228A, THR228B, THR276A, THR276B, THR301A, THR301B, TRP219A, TRP219B, TRP286A, TRP286B, TRP302A, TRP302B, VAL213A, VAL213B, VAL227A, VAL227B, VAL229A, VAL229B, VAL240A, VAL240B, VAL269A, VAL269B, VAL273A, VAL273B
• A-C: ALA222C, ALA225C, ARG283A, ASP279A, GLN287A, GLU220C, GLU280A, GLU284A, GLY224C, LEU223C, LEU237C, LYS226C, LYS277A, PRO241C, PRO242C, PRO278A, THR239C, THR276A, TRP219C, VAL240C
• A-D: ARG283A, ARG283D, ASP279A, GLN287D, GLU280D, GLU284D, LYS277A, LYS277D, PRO275A, PRO278A, THR276A
• A-E: ARG249A, ASN209A, LYS300E, VAL206A
• A-F: HIS200F, THR301A
• B-C: ALA225C, ALA282C, ARG249B, ARG251B, ARG283C, ASP265B, ASP279C, GLN248B, GLU220C, GLU280C, GLY224C, GLY243B, LEU223B, LEU223C, LEU285C, LYS226C, LYS253B, LYS277C, LYS281C, PHE267B, PRO241B, PRO242B, PRO278C, THR239B, THR276C, TRP219C
• B-D: ALA221B, ALA222B, ALA268B, ALA290D, ALA291D, ALA292D, ALA294D, ARG249B, ARG251B, ARG283D, ARG299D, ASP297D, GLN245B, GLN248B, GLN287D, GLN288D, GLU280D, GLU284D, GLU293D, GLY243B, ILE236B, ILE252B, ILE270B, LEU237B, LEU238B, LEU250B, LEU285D, LEU289D, LYS226B, LYS253B, LYS300B, PHE267B, PHE296D, PRO241B, PRO242B, PRO298D, SER244B, SER295D, THR239B, TRP286D, VAL240B
• B-F: ASN209B, ASN209F, ASP204B, ASP204F, GLU211B, GLU211F, GLY207B, GLY207F, GLY256F, HIS200B, HIS200F, HIS208B, HIS208F, HIS262F, ILE205B, ILE205F, ILE212B, ILE212F, LEU202B, LEU202F, LEU210B, LEU210F, LEU232B, LEU232F, LEU257B, LEU257F, LEU266F, LYS233B, LYS233F, LYS271B, LYS271F, PHE203B, PHE203F, PRO201B, PRO201F, SER259B, VAL206B, VAL206F, VAL213B, VAL213F, VAL258B, VAL258F
• B-J: ARG251J, GLU234B, GLY254J, GLY264J, HIS208J, HIS262J, ILE236B, LEU237B, LEU257J, LYS233B, LYS253J, LYS255B, PRO230B, SER235B, THR228B, THR231B, THR261J, THR263J, VAL229B
• C-D: ALA217C, ALA217D, ALA221C, ALA221D, ALA222C, ALA222D, ALA225C, ALA225D, ALA246C, ALA246D, ALA268C, ALA268D, ALA282C, ALA282D, ALA290C, ALA290D, ALA291C, ALA291D, ALA292C, ALA292D, ALA294C, ALA294D, ARG283C, ARG283D, ARG299C, ARG299D, ASP279C, ASP279D, ASP297C, ASP297D, GLN245C, GLN245D, GLN248C, GLN287C, GLN287D, GLN288C, GLN288D, GLU220C, GLU220D, GLU280C, GLU280D, GLU284C, GLU284D, GLU293C, GLU293D, GLY224C, GLY224D, GLY243C, GLY243D, GLY247C, GLY247D, HIS200D, ILE212C, ILE212D, ILE236C, ILE236D, ILE252C, ILE270C, ILE270D, ILE272C, ILE272D, LEU202C, LEU202D, LEU214C, LEU214D, LEU216C, LEU216D, LEU223C, LEU223D, LEU238C, LEU238D, LEU285C, LEU285D, LEU289C, LEU289D, LYS226C, LYS226D, LYS271C, LYS271D, LYS277C, LYS277D, LYS281C, LYS281D, LYS300C, LYS300D, PHE203D, PHE296C, PHE296D, PRO201C, PRO215C, PRO215D, PRO218C, PRO218D, PRO230C, PRO230D, PRO241C, PRO241D, PRO242C, PRO242D, PRO275C, PRO275D, PRO278C, PRO278D, PRO298C, PRO298D, SER235C, SER235D, SER244C, SER244D, SER295C, SER295D, THR228C, THR228D, THR276C, THR276D, THR301C, THR301D, TRP219C, TRP219D, TRP286C, TRP286D, TRP302C, TRP302D, VAL213C, VAL213D, VAL227C, VAL227D, VAL229C, VAL229D, VAL240C, VAL240D, VAL269C, VAL269D, VAL273C, VAL273D
• C-I: ASN209C, ASN209I, ASP204C, ASP204I, GLU211C, GLU211I, GLY207C, GLY207I, GLY256C, GLY256I, HIS208C, HIS208I, ILE205C, ILE205I, ILE212C, ILE212I, LEU202C, LEU202I, LEU210C, LEU210I, LEU232C, LEU257C, LEU257I, LEU266I, LYS233I, LYS271C, PHE203C, PHE203I, PRO201C, PRO201I, THR231I, VAL206C, VAL206I, VAL213C, VAL213I, VAL258C
• D-J: ARG249D, ARG249J, ARG251D, ASN209J, GLN248D, GLU211D, GLU211J, LYS300D, LYS300J, PHE267D, PHE267J, THR301J, TRP302J, VAL206D, VAL206J
• E-F: ALA217E, ALA217F, ALA221E, ALA221F, ALA222E, ALA222F, ALA225E, ALA225F, ALA246E, ALA246F, ALA268E, ALA268F, ALA282E, ALA282F, ALA290E, ALA290F, ALA291E, ALA291F, ALA292E, ALA292F, ALA294E, ALA294F, ARG283E, ARG283F, ARG299E, ARG299F, ASP279E, ASP279F, ASP297E, ASP297F, GLN245E, GLN245F, GLN248E, GLN287E, GLN287F, GLN288E, GLN288F, GLU220E, GLU220F, GLU280E, GLU280F, GLU284E, GLU284F, GLU293E, GLU293F, GLY224E, GLY224F, GLY243E, GLY243F, GLY247E, GLY247F, HIS200F, ILE212E, ILE212F, ILE236F, ILE270E, ILE270F, ILE272E, ILE272F, LEU202E, LEU202F, LEU214E, LEU214F, LEU216E, LEU216F, LEU223E, LEU223F, LEU238E, LEU238F, LEU285E, LEU285F, LEU289E, LEU289F, LYS226E, LYS226F, LYS271E, LYS271F, LYS277E, LYS277F, LYS281E, LYS281F, LYS300E, LYS300F, PHE203F, PHE296E, PHE296F, PRO201E, PRO201F, PRO215E, PRO215F, PRO218E, PRO218F, PRO230E, PRO230F, PRO241E, PRO241F, PRO242E, PRO242F, PRO275E, PRO275F, PRO278E, PRO278F, PRO298E, PRO298F, SER235E, SER235F, SER244E, SER244F, SER295E, SER295F, THR228E, THR228F, THR276E, THR276F, THR301E, THR301F, TRP219E, TRP219F, TRP286E, TRP286F, TRP302E, TRP302F, VAL213E, VAL213F, VAL227E, VAL227F, VAL229E, VAL229F, VAL240E, VAL240F, VAL269F, VAL273E, VAL273F
• E-H: ASN209E, ASP204E, ASP204H, GLU211E, GLU211H, GLY207E, GLY207H, GLY256E, HIS208E, HIS208H, ILE205E, ILE205H, ILE212E, ILE212H, LEU202E, LEU202H, LEU210E, LEU210H, LEU232E, LEU232H, LEU257E, LEU257H, LEU266E, PHE203E, PHE203H, PRO201E, THR231E, VAL206E, VAL206H, VAL213E, VAL213H, VAL258E, VAL258H
• F-G: ARG249F, ARG249G, GLU211G, GLY247G, LYS300F, LYS300G, PHE267F, THR301G, VAL269G
• G-H: ALA217G, ALA217H, ALA221G, ALA221H, ALA222G, ALA222H, ALA225G, ALA225H, ALA246G, ALA246H, ALA268G, ALA268H, ALA282G, ALA282H, ALA290G, ALA290H, ALA291G, ALA291H, ALA292G, ALA292H, ALA294G, ALA294H, ARG283G, ARG283H, ARG299G, ARG299H, ASP279G, ASP279H, ASP297G, ASP297H, GLN245G, GLN245H, GLN248H, GLN287G, GLN287H, GLN288G, GLN288H, GLU220G, GLU220H, GLU280G, GLU280H, GLU284G, GLU284H, GLU293G, GLU293H, GLY224G, GLY224H, GLY243G, GLY243H, GLY247G, GLY247H, HIS200G, ILE212G, ILE212H, ILE236G, ILE270G, ILE270H, ILE272G, ILE272H, LEU202G, LEU202H, LEU214G, LEU214H, LEU216G, LEU216H, LEU223G, LEU223H, LEU238G, LEU238H, LEU285G, LEU285H, LEU289G, LEU289H, LYS226G, LYS226H, LYS271G, LYS271H, LYS277G, LYS277H, LYS281G, LYS281H, LYS300G, LYS300H, PHE203G, PHE296G, PHE296H, PRO215G, PRO215H, PRO218G, PRO218H, PRO230G, PRO230H, PRO241G, PRO241H, PRO242G, PRO242H, PRO275G, PRO275H, PRO278G, PRO278H, PRO298G, PRO298H, SER235G, SER244G, SER244H, SER295G, SER295H, THR228G, THR228H, THR276G, THR276H, THR301G, THR301H, TRP219G, TRP219H, TRP286G, TRP286H, TRP302G, TRP302H, VAL213G, VAL213H, VAL227G, VAL227H, VAL229G, VAL229H, VAL240G, VAL240H, VAL269G, VAL269H, VAL273G, VAL273H
• G-L: ASN209G, ASN209L, ASP204G, ASP204L, GLU211G, GLU211L, GLY207G, GLY207L, GLY256G, GLY256L, HIS200G, HIS208G, HIS208L, ILE205G, ILE205L, ILE212G, ILE212L, LEU202G, LEU202L, LEU210G, LEU210L, LEU232G, LEU232L, LEU257G, LEU257L, LEU266G, LYS233G, LYS233L, LYS260G, LYS271L, PHE203G, PHE203L, PRO201G, PRO201L, SER259G, THR261G, THR263L, VAL206G, VAL206L, VAL213G, VAL213L, VAL258G, VAL258L
• H-J: GLU234H, LYS233H, SER235H, THR261J
• H-K: ARG249K, GLU211K, LYS300H, VAL206K
• I-J: ALA217I, ALA217J, ALA221I, ALA221J, ALA222I, ALA222J, ALA225I, ALA225J, ALA246I, ALA246J, ALA268I, ALA268J, ALA282I, ALA282J, ALA290I, ALA290J, ALA291I, ALA291J, ALA292I, ALA292J, ALA294I, ALA294J, ARG283I, ARG283J, ARG299I, ARG299J, ASP279I, ASP279J, ASP297I, ASP297J, GLN245I, GLN245J, GLN248J, GLN287I, GLN287J, GLN288I, GLN288J, GLU220I, GLU220J, GLU280I, GLU280J, GLU284I, GLU284J, GLU293I, GLU293J, GLY224I, GLY224J, GLY243I, GLY243J, GLY247I, GLY247J, HIS200J, ILE212I, ILE212J, ILE236I, ILE236J, ILE270I, ILE270J, ILE272I, ILE272J, LEU202I, LEU202J, LEU214I, LEU214J, LEU216I, LEU216J, LEU223I, LEU223J, LEU237J, LEU238I, LEU238J, LEU266J, LEU285I, LEU285J, LEU289I, LEU289J, LYS226I, LYS226J, LYS271I, LYS271J, LYS277I, LYS277J, LYS281I, LYS281J, LYS300I, LYS300J, PHE203J, PHE296I, PHE296J, PRO201I, PRO215I, PRO215J, PRO218I, PRO218J, PRO230I, PRO230J, PRO241I, PRO241J, PRO242I, PRO242J, PRO275I, PRO275J, PRO278I, PRO278J, PRO298I, PRO298J, SER235I, SER235J, SER244I, SER244J, SER295I, SER295J, THR228I, THR228J, THR276I, THR276J, THR301I, THR301J, TRP219I, TRP219J, TRP286I, TRP286J, TRP302I, TRP302J, VAL213I, VAL213J, VAL227I, VAL227J, VAL229I, VAL229J, VAL240I, VAL240J, VAL269J, VAL273I, VAL273J
• K-L: ALA217K, ALA217L, ALA221K, ALA221L, ALA222K, ALA222L, ALA225K, ALA225L, ALA246K, ALA246L, ALA268K, ALA268L, ALA282K, ALA282L, ALA290K, ALA290L, ALA291K, ALA291L, ALA292K, ALA292L, ALA294K, ALA294L, ARG283K, ARG283L, ARG299K, ARG299L, ASP279K, ASP279L, ASP297K, ASP297L, GLN245K, GLN245L, GLN287K, GLN287L, GLN288K, GLN288L, GLU220K, GLU220L, GLU280L, GLU284K, GLU284L, GLU293K, GLU293L, GLY224K, GLY224L, GLY243K, GLY243L, GLY247K, GLY247L, HIS200K, ILE212K, ILE212L, ILE236K, ILE270K, ILE270L, ILE272K, ILE272L, LEU202K, LEU202L, LEU214K, LEU214L, LEU216K, LEU216L, LEU223K, LEU223L, LEU238L, LEU285K, LEU285L, LEU289K, LEU289L, LYS226K, LYS226L, LYS271K, LYS271L, LYS277K, LYS277L, LYS281K, LYS281L, LYS300K, LYS300L, PHE296K, PHE296L, PRO201K, PRO215K, PRO215L, PRO218K, PRO218L, PRO230K, PRO230L, PRO241K, PRO241L, PRO242K, PRO242L, PRO275K, PRO275L, PRO278K, PRO278L, PRO298K, PRO298L, SER235K, SER235L, SER244K, SER244L, SER295K, SER295L, THR228K, THR228L, THR276K, THR276L, THR301K, THR301L, TRP219K, TRP219L, TRP286K, TRP286L, TRP302K, TRP302L, VAL213K, VAL213L, VAL227K, VAL227L, VAL229K, VAL229L, VAL240K, VAL240L, VAL269K, VAL273K, VAL273L