3QPR

hk97 prohead i encapsidating inactive virally encoded protease

• Total interactions analyzed: 21
• Total true interactions: 11
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 22
  • Norm. En. per Res.: -0.955
• 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	0.0	0.0	-55.1678	-55.1678	87	16	6	4151	0	26	17
A-C	0.0	0.0	-21.0108	-21.0108	22	7	0	901	0	8	8
A-D	0.0	0.0	-1.0748	-1.0748	9	0	0	196	0	10	9
A-F	0.0	0.0	-40.6176	-40.6176	101	3	9	3111	0	42	21
A-G	0.0	0.0	-18.8633	-18.8633	29	0	1	1005	0	10	5
B-C	0.0	0.0	93.2933	93.2933	107	26	7	4468	0	48	27
C-D	0.0	0.0	-46.2302	-46.2302	110	3	7	3908	0	45	23
D-E	0.0	0.0	-68.5885	-68.5885	85	8	4	3411	0	26	17
D-F	-4.1515	0.0	-3.7472	-7.8987	22	8	0	963	0	8	7
E-F	0.0	0.0	3.3551	3.3551	102	20	2	3662	0	44	29
F-G	0.0	0.0	-5.4195	-5.4195	33	0	3	717	0	27	29

Interface residues

• A-B: ALA139B, ALA147B, ALA181B, ALA192A, ALA200A, ALA272B, ALA302B, ALA318A, ALA367B, ARG142B, ARG152B, ARG194A, ARG210A, ARG280A, ARG338B, ASN146B, ASN208A, ASN209A, ASN278A, ASN284A, ASN356A, ASP199A, ASP281A, ASP330B, ASP337B, GLN140B, GLN179B, GLN191A, GLN195A, GLN204A, GLN301B, GLN334B, GLU149B, GLU153B, GLY141B, GLY214A, GLY299A, GLY310B, HIS283A, ILE307B, LEU138B, LEU148B, LEU203A, LEU211A, LEU217A, LEU287A, LEU311B, LEU358A, LYS178B, LYS317A, LYS355A, MET197A, MET202A, MET308B, MET331B, MET357A, PHE176B, PHE270B, PHE297B, PRO201A, PRO279A, PRO300A, PRO312B, PRO315A, SER144B, SER145B, SER177B, SER193A, SER205A, SER271B, SER273B, SER305B, THR143B, THR180B, THR304B, THR359A, TRP282A, TRP309B, TRP336B, TYR150B, TYR206A, TYR213A, TYR371B, VAL151B, VAL190A, VAL196A, VAL335B
• A-C: ALA302C, ARG294A, ARG294C, ASN291A, ASP290A, GLN301C, GLU292A, GLU292C, GLY293A, GLY293C, GLY298C, GLY299C, GLY310C, ILE296C, LYS289A, LYS289C, PHE297C, PRO300A, PRO300C, TRP309C, TYR295A, TYR295C
• A-D: ARG294A, ARG294D, ASN291A, ASN291D, ASP290A, ASP290D, GLU292A, GLU292D, GLY293A
• A-F: ALA139A, ALA147A, ALA160A, ALA192F, ALA200F, ALA255A, ALA259A, ALA272A, ALA286F, ALA318F, ALA320F, ALA321F, ALA332A, ARG130F, ARG131F, ARG142A, ARG152A, ARG194F, ARG210F, ARG280F, ASN209F, ASN284F, ASN291A, ASN356F, ASP198F, ASP199F, ASP256A, ASP290A, ASP330A, ASP337A, GLN140A, GLN179A, GLN191F, GLN195F, GLN264A, GLN301F, GLN334A, GLU149A, GLU267A, GLU269A, GLY128F, GLY141A, GLY214F, GLY293F, GLY299F, GLY310A, HIS260A, HIS283F, ILE262A, ILE296A, LEU129F, LEU148A, LEU203F, LEU211F, LEU217F, LEU247A, LEU287F, LEU311A, LYS178A, LYS317F, MET197F, MET202F, MET308A, MET331A, MET357F, PHE176A, PHE270A, PHE297A, PHE303F, PRO127F, PRO201F, PRO279F, PRO300F, PRO315F, SER144A, SER145A, SER172A, SER177A, SER193F, SER205F, SER268A, SER271A, SER273A, SER305F, SER333A, THR143A, THR180A, THR266A, THR304F, THR316F, TRP309A, TRP336A, TYR150A, TYR206F, TYR213F, TYR263A, TYR371A, VAL151A, VAL190F, VAL196F, VAL335A
• A-G: ALA147A, ALA147G, ALA181A, ALA181G, ASN146A, ASN146G, ASN182A, ASN182G, ASP231A, ASP231G, GLN179A, GLN179G, GLU149A, GLU149G, GLY230A, GLY230G, LEU148A, LEU148G, LYS178A, LYS178G, LYS184G, SER144A, SER144G, SER145A, SER145G, THR180A, THR180G, VAL183A, VAL183G
• B-C: ALA139C, ALA147C, ALA181C, ALA192B, ALA200B, ALA255C, ALA259C, ALA272C, ALA302B, ALA318B, ALA332C, ARG130B, ARG131B, ARG142C, ARG152C, ARG194B, ARG210B, ARG280B, ARG338C, ASN146C, ASN209B, ASN278B, ASN284B, ASN356B, ASP198B, ASP199B, ASP256C, ASP330C, ASP337C, GLN140C, GLN179C, GLN191B, GLN195B, GLN204B, GLN301B, GLN334C, GLU149C, GLU153C, GLU267C, GLU269C, GLU292C, GLY128B, GLY141C, GLY214B, GLY251C, GLY293B, GLY299B, GLY310C, GLY328C, HIS260C, HIS283B, ILE262C, ILE296C, LEU129B, LEU148C, LEU203B, LEU211B, LEU217B, LEU287B, LEU311C, LEU358B, LYS178C, LYS317B, LYS355B, MET126B, MET197B, MET202B, MET308C, MET331C, MET357B, PHE176C, PHE270C, PHE297C, PHE303B, PRO127B, PRO201B, PRO279B, PRO300B, PRO315B, SER144C, SER145C, SER177C, SER193B, SER205B, SER268C, SER271C, SER273C, SER305B, SER333C, THR143C, THR180C, THR266C, THR304B, THR316B, THR359B, TRP282B, TRP309C, TRP336C, TYR150C, TYR206B, TYR213B, TYR263C, TYR371C, VAL151C, VAL190B, VAL196B, VAL335C
• C-D: ALA139D, ALA147D, ALA160D, ALA192C, ALA200C, ALA255D, ALA259D, ALA272D, ALA286C, ALA318C, ALA320C, ALA321C, ALA332D, ARG130C, ARG131C, ARG142D, ARG152D, ARG194C, ARG210C, ARG280C, ASN146D, ASN209C, ASN278C, ASN284C, ASN352C, ASN356C, ASP199C, ASP256D, ASP290D, ASP330D, ASP337D, ASP351C, GLN140D, GLN179D, GLN191C, GLN195C, GLN204C, GLN264D, GLN301C, GLN334D, GLU149D, GLU153D, GLU267D, GLU269D, GLY128C, GLY141D, GLY214C, GLY299C, GLY310D, GLY328D, HIS260D, HIS283C, ILE262D, ILE296D, LEU129C, LEU132C, LEU148D, LEU203C, LEU211C, LEU217C, LEU287C, LEU311D, LEU358C, LYS178D, LYS218C, LYS317C, LYS355C, MET197C, MET202C, MET308D, MET331D, MET357C, PHE176D, PHE270D, PHE297D, PHE303C, PRO201C, PRO279C, PRO300C, PRO315C, SER144D, SER145D, SER172D, SER177D, SER193C, SER205C, SER268D, SER271D, SER273D, SER305C, SER333D, THR143D, THR266D, THR304C, THR316C, THR359C, TRP282C, TRP309D, TRP336D, TYR150D, TYR206C, TYR213C, TYR263D, TYR371D, VAL151D, VAL190C, VAL196C, VAL265D, VAL335D, VAL354C
• D-E: ALA139E, ALA147E, ALA181E, ALA192D, ALA200D, ALA272E, ALA302E, ALA318D, ARG142E, ARG152E, ARG194D, ARG210D, ARG280D, ASN146E, ASN208D, ASN209D, ASN278D, ASN284D, ASN352D, ASN356D, ASP199D, ASP281D, ASP330E, ASP337E, GLN140E, GLN179E, GLN191D, GLN195D, GLN204D, GLN301E, GLN334E, GLU149E, GLU153E, GLY141E, GLY214D, GLY310E, HIS283D, ILE307E, LEU138E, LEU148E, LEU203D, LEU217D, LEU287D, LEU311E, LEU358D, LYS178E, LYS317D, LYS355D, MET197D, MET202D, MET308E, MET331E, MET357D, PHE176E, PHE270E, PHE297E, PRO201D, PRO279D, PRO300D, PRO312E, PRO315D, SER144E, SER145E, SER177E, SER193D, SER205D, SER271E, SER273E, SER305E, SER333E, THR143E, THR180E, THR304E, THR359D, TRP282D, TRP309E, TRP336E, TYR150E, TYR206D, TYR213D, TYR371E, VAL151E, VAL190D, VAL196D, VAL335E
• D-F: ARG294D, ARG294F, ASN291D, ASP290D, GLU292D, GLU292F, GLY293D, GLY293F, GLY298F, GLY299F, GLY310F, ILE296F, LEU288D, LEU288F, LYS289D, LYS289F, PHE297F, PRO300D, PRO300F, TRP309F, TYR295D, TYR295F
• E-F: ALA139F, ALA147F, ALA160F, ALA181F, ALA192E, ALA200E, ALA255F, ALA259F, ALA272F, ALA302E, ALA318E, ALA320E, ALA321E, ALA332F, ALA369F, ARG130E, ARG131E, ARG142F, ARG152F, ARG194E, ARG210E, ARG280E, ARG338F, ASN146F, ASN208E, ASN209E, ASN352E, ASN356E, ASP198E, ASP199E, ASP256F, ASP330F, ASP337F, GLN140F, GLN191E, GLN195E, GLN204E, GLN301E, GLN334F, GLU149F, GLU267F, GLU269F, GLY128E, GLY141F, GLY214E, GLY251F, GLY293E, GLY299E, GLY310F, GLY328F, HIS260F, HIS283E, ILE207E, ILE262F, ILE296F, LEU129E, LEU148F, LEU203E, LEU217E, LEU287E, LEU311F, LEU358E, LYS178F, LYS317E, LYS355E, MET126E, MET202E, MET308F, MET331F, MET357E, PHE176F, PHE270F, PHE297F, PHE303E, PRO127E, PRO201E, PRO279E, PRO300E, PRO315E, SER144F, SER145F, SER193E, SER205E, SER268F, SER271F, SER273F, SER305E, THR143F, THR180F, THR266F, THR304E, THR316E, TRP309F, TRP336F, TYR150F, TYR206E, TYR213E, TYR263F, VAL151F, VAL190E, VAL196E, VAL335F
• F-G: ALA187G, ARG347G, ARG350F, ARG350G, ARG365G, ASN146G, ASN356F, ASP231G, ASP349F, ASP349G, ASP351F, CYS362G, GLN195F, GLU344G, GLU348F, GLU348G, GLU363G, GLU364G, HIS188G, ILE186G, LEU361G, LYS184G, LYS355F, MET357F, PHE353F, SER145G, SER346G, THR185G, THR359G, TRP189G, VAL183G, VAL345G, VAL354F