3L88

crystal structure of the human adenovirus type 21 fiber knob

• Total interactions analyzed: 66
• Total true interactions: 25
• Strongest Interaction:
  • Chains: D-E
  • Int. Res.: 98
  • Norm. En. per Res.: -3.0448
• Hub Node: A(6)

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	-5.6506	0.0	-211.87	-217.5206	95	9	8	9214	0	12	10
A-C	-21.4412	-51.0375	-216.827	-289.3057	98	11	8	9786	2	11	10
A-D	0.0	0.0	-3.6118	-3.6118	13	0	0	320	0	1	4
A-E	0.0	-2.0073	-39.7327	-41.74	45	10	0	1985	0	7	4
A-K	0.0	0.0	-6.7935	-6.7935	16	4	0	455	0	4	4
A-L	-19.8249	23.827	-69.3466	-65.3444	63	7	0	3862	0	10	14
B-C	-24.8874	-50.7813	-213.777	-289.4457	98	12	8	9904	3	11	10
B-D	0.0	0.0	-0.0138	-0.0138	2	0	0	10	0	0	1
B-E	0.0	-6.2814	-30.0555	-36.3369	31	0	0	1447	0	9	4
B-K	0.0	0.0	-0.0015	-0.0015	2	0	0	1	0	2	2
D-E	-36.2557	-60.5173	-201.613	-298.3861	98	10	8	9658	4	11	10
D-F	-11.7704	-48.2243	-220.313	-280.3077	98	12	8	9864	3	12	10
E-F	-12.0585	-38.468	-224.559	-275.0855	99	13	8	9828	2	12	9
E-H	0.0	0.0	-20.3473	-20.3473	21	4	0	945	2	5	5
E-I	0.0	0.0	-0.1564	-0.1564	3	0	0	25	0	3	1
F-H	-5.4069	10.4925	-39.1332	-34.0476	59	5	0	2773	0	15	8
G-H	-20.6329	-49.9327	-210.546	-281.1116	98	6	8	9472	3	11	10
G-I	-7.8481	-45.3135	-211.192	-264.3536	97	12	8	9770	3	11	8
G-J	0.0	0.0	-28.6568	-28.6568	21	2	0	1195	0	4	6
H-I	-20.0972	-52.8141	-210.438	-283.3493	98	12	8	9676	3	12	10
I-J	0.0	-13.6943	-42.7387	-56.433	46	3	0	1580	0	9	10
I-L	0.0	-2.3831	-14.0993	-16.4824	23	4	0	644	0	5	3
J-K	-27.6998	-49.8949	-209.571	-287.1657	98	5	8	9390	3	11	10
J-L	-8.0733	-43.4153	-202.42	-253.9086	101	15	8	9625	3	12	10
K-L	-12.7017	-36.4803	-216.179	-265.3609	98	8	8	9680	2	12	10

Interface residues

• A-B: ALA232A, ALA239A, ARG247A, ARG265B, ARG319A, ASN132B, ASN164A, ASN164B, ASN169A, ASN169B, ASN243A, ASN251A, ASN271A, ASN294A, ASP248A, ASP321A, CYS257B, GLU250A, GLU320A, GLY137B, GLY165A, GLY165B, GLY166A, GLY170A, GLY170B, GLY255A, HIS254A, ILE131B, ILE138B, ILE253A, ILE256A, ILE256B, ILE272A, ILE274A, ILE318A, LEU134B, LEU159B, LEU161B, LEU167A, LEU167B, LEU174B, LEU267B, LEU270A, LEU276A, LEU308B, LYS139B, LYS163A, LYS163B, LYS218B, MET260B, MET275A, PHE233B, PHE313A, PHE313B, PHE314A, PHE314B, PHE315A, PHE315B, PRO140B, PRO241A, PRO269B, PRO312B, SER173B, SER219B, SER236A, SER249A, SER262B, SER273A, SER311B, SER316A, SER316B, THR133B, THR136B, THR158B, THR237A, THR238A, THR246A, THR261B, THR307B, THR309B, THR310B, TRP135B, TYR171B, TYR240A, TYR252A, TYR258B, TYR259B, TYR317A, VAL160B, VAL162A, VAL162B, VAL168A, VAL168B, VAL172B, VAL175B
• A-C: ALA239C, ARG247C, ARG265A, ARG279C, ARG319C, ASN132A, ASN164A, ASN164C, ASN169A, ASN169C, ASN243C, ASN251C, ASN271C, ASN294C, ASP248C, ASP321C, CYS257A, GLU250C, GLU320C, GLY137A, GLY165A, GLY165C, GLY166C, GLY170A, GLY170C, GLY176A, GLY255C, HIS254C, ILE131A, ILE138A, ILE253C, ILE256A, ILE256C, ILE272C, ILE274C, ILE318C, LEU134A, LEU159A, LEU161A, LEU167A, LEU167C, LEU174A, LEU267A, LEU276C, LEU308A, LYS139A, LYS156A, LYS163A, LYS163C, LYS218A, MET260A, MET275C, PHE233A, PHE313A, PHE313C, PHE314A, PHE314C, PHE315A, PHE315C, PRO140A, PRO241C, PRO269A, PRO312A, SER173A, SER219A, SER236C, SER249C, SER262A, SER273C, SER278C, SER311A, SER316A, SER316C, THR133A, THR136A, THR158A, THR237C, THR238C, THR245C, THR246C, THR261A, THR307A, THR309A, THR310A, TRP135A, TYR171A, TYR240C, TYR252C, TYR258A, TYR259A, TYR317C, VAL160A, VAL162A, VAL162C, VAL168A, VAL168C, VAL172A, VAL175A
• A-D: ALA239D, ALA286A, ASP321A, ASP321D, GLU320D, LYS231A, PRO241D, SER200A, SER201A, SER236D, THR237D, THR238D, TYR287A
• A-E: ALA239A, ALA286A, ASN143E, ASN153E, ASN217E, ASN243A, ASN277A, ASN284A, ASP321A, GLU320A, ILE138E, ILE213E, ILE281A, LEU204E, LEU215E, LYS139E, LYS156E, LYS212E, LYS216E, LYS218E, LYS231A, PHE242A, PRO140E, PRO141E, PRO142E, PRO214E, PRO241A, SER200A, SER219E, SER220E, SER236A, SER282A, SER283A, THR152E, THR206E, THR237A, THR238A, THR244A, THR245A, THR280A, TRP135E, TYR240A, TYR287A, VAL177E, VAL285A
• A-K: ALA239K, ALA297A, ARG319K, ASN296A, ASP321K, GLN187A, GLU299A, GLU320K, ILE318K, LYS188A, LYS298A, SER189A, SER236K, SER300A, THR237K, THR238K
• A-L: ALA190A, ARG195A, ASN143L, ASN149A, ASN153L, ASN182A, ASN203L, ASN217L, ASN284L, ASN294A, ASN296A, ASN304A, ASP151A, ASP154A, ASP179A, ASP199L, ASP207L, GLN183A, GLN187A, GLU148A, GLU208L, GLY137L, GLY202L, ILE138L, ILE146A, ILE213L, ILE305A, LEU204L, LEU205L, LEU215L, LEU295A, LYS139L, LYS156L, LYS188A, LYS212L, LYS216L, LYS218L, MET184A, PHE185A, PHE198L, PRO140L, PRO141L, PRO142L, PRO214L, SER189A, SER200L, SER201L, SER229L, SER230L, SER300A, SER303A, THR136L, THR150A, THR152L, THR158L, THR180A, THR186A, THR191A, THR206L, TRP135L, TYR197L, VAL147A, VAL181A
• B-C: ALA239B, ALA306C, ARG247B, ARG265C, ARG279B, ARG319B, ASN132C, ASN164B, ASN164C, ASN169B, ASN169C, ASN243B, ASN251B, ASN271B, ASN294B, ASP248B, ASP321B, CYS257C, GLU250B, GLU320B, GLY137C, GLY165B, GLY165C, GLY166B, GLY170B, GLY170C, GLY176C, GLY255B, HIS254B, ILE131C, ILE138C, ILE253B, ILE256B, ILE256C, ILE272B, ILE274B, ILE318B, LEU134C, LEU159C, LEU161C, LEU167B, LEU167C, LEU174C, LEU267C, LEU270B, LEU276B, LEU308C, LYS139C, LYS156C, LYS163B, LYS163C, LYS218C, MET260C, MET275B, PHE233C, PHE313B, PHE313C, PHE314B, PHE314C, PHE315B, PHE315C, PRO140C, PRO241B, PRO269C, PRO312C, SER173C, SER236B, SER249B, SER262C, SER273B, SER278B, SER311C, SER316B, SER316C, THR133C, THR136C, THR158C, THR237B, THR238B, THR246B, THR261C, THR307C, THR309C, THR310C, TRP135C, TYR171C, TYR240B, TYR252B, TYR258C, TYR259C, TYR317B, VAL160C, VAL162B, VAL162C, VAL168B, VAL168C, VAL172C, VAL175C
• B-D: SER219B, THR245D
• B-E: ASN149E, ASN153B, ASN153E, ASP151E, ASP154B, ASP154E, ASP179E, GLN145E, GLY176B, ILE138B, ILE213B, ILE213E, ILE305E, LYS139B, LYS156B, LYS156E, LYS216B, PRO140B, PRO141B, PRO141E, PRO142B, PRO142E, PRO214B, SER178B, SER178E, SER220B, THR150E, THR152E, THR180E, VAL177B, VAL177E
• B-K: ILE131K, TYR263B
• D-E: ALA239D, ARG247D, ARG265E, ARG279D, ARG319D, ASN132E, ASN164D, ASN164E, ASN169D, ASN169E, ASN243D, ASN251D, ASN271D, ASN294D, ASP248D, ASP321D, CYS257E, GLU250D, GLU320D, GLY137E, GLY165D, GLY165E, GLY166D, GLY170D, GLY170E, GLY176E, GLY255D, HIS254D, ILE131E, ILE138E, ILE253D, ILE256D, ILE256E, ILE272D, ILE274D, ILE318D, LEU134E, LEU159E, LEU161E, LEU167D, LEU167E, LEU174E, LEU267E, LEU276D, LEU308E, LYS139E, LYS156E, LYS163D, LYS163E, LYS218E, MET260E, MET275D, PHE233E, PHE313D, PHE313E, PHE314D, PHE314E, PHE315D, PHE315E, PRO140E, PRO241D, PRO269E, PRO312E, SER173E, SER236D, SER249D, SER262E, SER273D, SER278D, SER311E, SER316D, SER316E, THR133E, THR136E, THR158E, THR237D, THR238D, THR245D, THR246D, THR261E, THR307E, THR309E, THR310E, TRP135E, TYR171E, TYR240D, TYR252D, TYR258D, TYR258E, TYR259E, TYR317D, VAL160E, VAL162D, VAL162E, VAL168D, VAL168E, VAL172E, VAL175E
• D-F: ALA239F, ALA306D, ARG247F, ARG265D, ARG319F, ASN132D, ASN164D, ASN164F, ASN169D, ASN169F, ASN243F, ASN251F, ASN271F, ASN294F, ASP248F, ASP321F, CYS257D, GLU250F, GLU320F, GLY137D, GLY165D, GLY165F, GLY166F, GLY170D, GLY170F, GLY255F, HIS254F, ILE131D, ILE138D, ILE253F, ILE256D, ILE256F, ILE272F, ILE274F, ILE318F, LEU134D, LEU159D, LEU161D, LEU167D, LEU167F, LEU174D, LEU267D, LEU276F, LEU308D, LYS139D, LYS156D, LYS163D, LYS163F, LYS218D, MET260D, MET275F, PHE233D, PHE313D, PHE313F, PHE314D, PHE314F, PHE315D, PHE315F, PRO140D, PRO241F, PRO269D, PRO312D, SER173D, SER236F, SER249F, SER262D, SER266D, SER273F, SER278F, SER311D, SER316D, SER316F, THR133D, THR136D, THR158D, THR237F, THR238F, THR245F, THR246F, THR261D, THR307D, THR309D, THR310D, TRP135D, TYR171D, TYR240F, TYR252F, TYR258D, TYR258F, TYR259D, TYR317F, VAL160D, VAL162D, VAL162F, VAL168D, VAL168F, VAL172D, VAL175D
• E-F: ALA239E, ARG247E, ARG265F, ARG279E, ARG319E, ASN132F, ASN164E, ASN164F, ASN169E, ASN169F, ASN243E, ASN251E, ASN271E, ASN294E, ASP248E, ASP321E, CYS257F, GLU250E, GLU320E, GLY137F, GLY165E, GLY165F, GLY166E, GLY170E, GLY170F, GLY176F, GLY255E, HIS254E, ILE131F, ILE138F, ILE253E, ILE256E, ILE256F, ILE272E, ILE274E, ILE318E, LEU134F, LEU159F, LEU161F, LEU167E, LEU167F, LEU174F, LEU267F, LEU276E, LEU308F, LYS139F, LYS156F, LYS163E, LYS163F, LYS218F, MET260F, MET275E, PHE233F, PHE313E, PHE313F, PHE314E, PHE314F, PHE315E, PHE315F, PRO140F, PRO241E, PRO269F, PRO312F, SER173F, SER219F, SER236E, SER249E, SER262F, SER273E, SER311F, SER316E, SER316F, THR133F, THR136F, THR158F, THR237E, THR238E, THR245E, THR246E, THR261F, THR307F, THR309F, THR310F, TRP135F, TYR171F, TYR240E, TYR252E, TYR258E, TYR258F, TYR259F, TYR263F, TYR317E, VAL160F, VAL162E, VAL162F, VAL168E, VAL168F, VAL172F, VAL175F
• E-H: ALA239E, ALA297H, ASN296H, ASP321E, GLN187H, GLU299H, GLU320E, LYS188H, LYS231E, LYS298H, PHE242E, PRO235E, PRO241E, SER189H, SER236E, SER300H, THR186H, THR237E, THR238E, TYR240E, TYR287E
• E-I: ILE131E, LYS163E, TYR263I
• F-H: ARG195H, ARG279H, ASN143F, ASN149H, ASN153F, ASN182H, ASN203F, ASN217F, ASN294H, ASP151H, ASP179H, ASP199F, ASP207F, GLN183H, GLN187H, GLN193H, GLN290H, GLU148H, GLU292H, GLY137F, GLY202F, ILE131F, ILE138F, ILE146H, ILE192H, ILE213F, ILE305H, LEU134F, LEU204F, LEU215F, LYS139F, LYS156F, LYS188H, LYS212F, LYS216F, LYS218F, MET184H, MET275H, PHE198F, PHE291H, PRO140F, PRO141F, PRO142F, PRO214F, SER189H, SER201F, SER219F, SER220F, SER230F, THR150H, THR152H, THR180H, THR186H, THR191H, THR206F, TRP135F, TYR252H, VAL147H, VAL181H
• G-H: ALA239G, ARG247G, ARG265H, ARG279G, ARG319G, ASN132H, ASN164G, ASN164H, ASN169G, ASN169H, ASN243G, ASN251G, ASN271G, ASN294G, ASP248G, ASP321G, CYS257H, GLU250G, GLU320G, GLY137H, GLY165G, GLY165H, GLY166G, GLY170G, GLY170H, GLY176H, GLY255G, HIS254G, ILE138H, ILE253G, ILE256G, ILE256H, ILE272G, ILE274G, ILE318G, LEU134H, LEU159H, LEU161H, LEU167G, LEU167H, LEU174H, LEU267H, LEU276G, LEU308H, LYS139H, LYS156H, LYS163G, LYS163H, LYS218H, MET260H, MET275G, PHE233H, PHE313G, PHE313H, PHE314G, PHE314H, PHE315G, PHE315H, PRO140H, PRO241G, PRO269H, PRO312H, SER130H, SER173H, SER236G, SER249G, SER262H, SER273G, SER278G, SER311H, SER316G, SER316H, THR133H, THR136H, THR158H, THR237G, THR238G, THR245G, THR246G, THR261H, THR307H, THR309H, THR310H, TRP135H, TYR171H, TYR240G, TYR252G, TYR258G, TYR258H, TYR259H, TYR317G, VAL160H, VAL162G, VAL162H, VAL168G, VAL168H, VAL172H, VAL175H
• G-I: ALA239I, ARG247I, ARG265G, ARG279I, ARG319I, ASN132G, ASN164G, ASN164I, ASN169G, ASN169I, ASN243I, ASN251I, ASN271I, ASN294I, ASP248I, ASP321I, CYS257G, GLU250I, GLU320I, GLY137G, GLY165G, GLY165I, GLY166I, GLY170G, GLY170I, GLY176G, GLY255I, HIS254I, ILE131G, ILE138G, ILE253I, ILE256G, ILE256I, ILE272I, ILE274I, ILE318I, LEU134G, LEU159G, LEU161G, LEU167G, LEU167I, LEU174G, LEU267G, LEU276I, LEU308G, LYS139G, LYS156G, LYS163G, LYS163I, LYS218G, MET260G, MET275I, PHE233G, PHE313G, PHE313I, PHE314G, PHE314I, PHE315G, PHE315I, PRO140G, PRO241I, PRO269G, PRO312G, SER173G, SER236I, SER249I, SER262G, SER273I, SER278I, SER311G, SER316G, SER316I, THR133G, THR136G, THR158G, THR237I, THR238I, THR246I, THR261G, THR307G, THR309G, THR310G, TRP135G, TYR171G, TYR240I, TYR252I, TYR258G, TYR258I, TYR259G, TYR317I, VAL160G, VAL162G, VAL162I, VAL168G, VAL168I, VAL172G, VAL175G
• G-J: ARG265G, ASN153J, ASN203J, ASN284J, ASN304G, ASP199J, ASP207J, ASP264G, GLN145J, GLU208J, ILE213J, LEU204J, LEU205J, LEU215J, LYS212J, PRO214J, SER262G, SER266G, THR152J, THR206J, TYR263G
• H-I: ALA239H, ALA306I, ARG247H, ARG265I, ARG319H, ASN132I, ASN164H, ASN164I, ASN169H, ASN169I, ASN243H, ASN251H, ASN271H, ASN294H, ASP248H, ASP321H, CYS257I, GLU250H, GLU320H, GLY137I, GLY165H, GLY165I, GLY166H, GLY170H, GLY170I, GLY176I, GLY255H, HIS254H, ILE131I, ILE138I, ILE253H, ILE256H, ILE256I, ILE272H, ILE274H, ILE318H, LEU134I, LEU159I, LEU161I, LEU167H, LEU167I, LEU174I, LEU267I, LEU276H, LEU308I, LYS139I, LYS156I, LYS163H, LYS163I, LYS218I, MET260I, MET275H, PHE233I, PHE313H, PHE313I, PHE314H, PHE314I, PHE315H, PHE315I, PRO140I, PRO241H, PRO269I, PRO312I, SER173I, SER219I, SER236H, SER249H, SER262I, SER273H, SER278H, SER311I, SER316H, SER316I, THR133I, THR136I, THR158I, THR237H, THR238H, THR246H, THR261I, THR307I, THR309I, THR310I, TRP135I, TYR171I, TYR240H, TYR252H, TYR258H, TYR258I, TYR259I, TYR317H, VAL160I, VAL162H, VAL162I, VAL168H, VAL168I, VAL172I, VAL175I
• I-J: ARG247I, ARG279I, ASN149I, ASN149J, ASN153J, ASN243I, ASN294I, ASN296I, ASP151J, ASP179J, ASP207J, ASP248I, GLN145J, GLN187I, GLN193I, GLN290I, GLU148I, GLU292I, ILE138J, ILE281I, LYS139J, LYS156J, LYS188I, LYS212J, LYS216J, LYS218J, MET275I, PRO140J, PRO141J, PRO142J, SER178J, SER189I, SER219J, SER278I, SER282I, THR150J, THR152J, THR191I, THR244I, THR245I, THR246I, THR280I, THR307J, TRP135J, TYR252I, VAL177J
• I-L: ALA239L, ARG247L, ASN149I, ASP151I, ASP321L, GLN187I, GLU148I, GLU250L, GLU320L, LYS188I, PHE242L, PRO241L, SER189I, SER236L, THR150I, THR180I, THR186I, THR237L, THR238L, THR244L, THR245L, THR246L, VAL147I
• J-K: ALA239J, ARG247J, ARG265K, ARG319J, ASN132K, ASN164J, ASN164K, ASN169J, ASN169K, ASN243J, ASN251J, ASN271J, ASN294J, ASP248J, ASP321J, CYS257J, CYS257K, GLU250J, GLU320J, GLY137K, GLY165J, GLY165K, GLY166J, GLY170J, GLY170K, GLY176K, GLY255J, HIS254J, ILE131K, ILE138K, ILE253J, ILE256J, ILE256K, ILE272J, ILE274J, ILE318J, LEU134K, LEU159K, LEU161K, LEU167J, LEU167K, LEU174K, LEU267K, LEU270J, LEU276J, LEU308K, LYS139K, LYS156K, LYS163J, LYS163K, LYS218K, MET260K, MET275J, PHE233K, PHE313J, PHE313K, PHE314J, PHE314K, PHE315J, PHE315K, PRO140K, PRO241J, PRO269K, PRO312K, SER173K, SER236J, SER249J, SER262K, SER273J, SER278J, SER311K, SER316J, SER316K, THR133K, THR136K, THR158K, THR237J, THR238J, THR246J, THR261K, THR307K, THR309K, THR310K, TRP135K, TYR171K, TYR240J, TYR252J, TYR258J, TYR258K, TYR259K, TYR317J, VAL160K, VAL162J, VAL162K, VAL168J, VAL168K, VAL172K, VAL175K
• J-L: ALA239L, ALA306J, ARG247L, ARG265J, ARG279L, ARG319L, ASN132J, ASN164J, ASN164L, ASN169J, ASN169L, ASN243L, ASN251L, ASN271L, ASN294L, ASP248L, ASP321L, CYS257J, GLN193L, GLN290L, GLU250L, GLU292L, GLU320L, GLY137J, GLY165J, GLY165L, GLY166L, GLY170J, GLY170L, GLY255L, HIS254L, ILE131J, ILE138J, ILE253L, ILE256J, ILE256L, ILE272L, ILE274L, ILE318L, LEU134J, LEU159J, LEU161J, LEU167J, LEU167L, LEU174J, LEU267J, LEU276L, LEU308J, LYS139J, LYS156J, LYS163J, LYS163L, LYS218J, MET260J, MET275L, PHE233J, PHE313J, PHE313L, PHE314J, PHE314L, PHE315J, PHE315L, PRO140J, PRO241L, PRO269J, PRO312J, SER173J, SER219J, SER236L, SER249L, SER262J, SER266J, SER273L, SER278L, SER311J, SER316J, SER316L, THR133J, THR136J, THR158J, THR237L, THR238L, THR246L, THR261J, THR307J, THR309J, THR310J, TRP135J, TYR171J, TYR240L, TYR252L, TYR258J, TYR259J, TYR317L, VAL160J, VAL162J, VAL162L, VAL168J, VAL168L, VAL172J, VAL175J
• K-L: ALA239K, ALA306L, ARG247K, ARG265L, ARG279K, ARG319K, ASN132L, ASN164K, ASN164L, ASN169K, ASN169L, ASN243K, ASN251K, ASN271K, ASN294K, ASP248K, ASP321K, CYS257L, GLU250K, GLU320K, GLY137L, GLY165K, GLY165L, GLY166K, GLY170K, GLY170L, GLY255K, HIS254K, ILE138L, ILE253K, ILE256K, ILE256L, ILE272K, ILE274K, ILE305L, ILE318K, LEU134L, LEU159L, LEU161L, LEU167K, LEU167L, LEU174L, LEU267L, LEU270K, LEU276K, LEU308L, LYS139L, LYS156L, LYS163K, LYS163L, LYS218L, MET260L, MET275K, PHE233L, PHE313K, PHE313L, PHE314K, PHE314L, PHE315K, PHE315L, PRO140L, PRO241K, PRO269L, PRO312L, SER130L, SER173L, SER236K, SER249K, SER262L, SER273K, SER311L, SER316K, SER316L, THR133L, THR136L, THR158L, THR237K, THR238K, THR246K, THR261L, THR307L, THR309L, THR310L, TRP135L, TYR171L, TYR240K, TYR252K, TYR258L, TYR259L, TYR317K, VAL160L, VAL162K, VAL162L, VAL168K, VAL168L, VAL172L, VAL175L, VAL268L