2GP1

bacteriophage hk97 prohead ii crystal structure

• Total interactions analyzed: 21
• Total true interactions: 12
• Strongest Interaction:
  • Chains: F-G
  • Int. Res.: 50
  • Norm. En. per Res.: -3.8285
• 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	-10.4679	-8.0631	-198.073	-216.604	125	55	5	10683	0	21	14
A-C	-14.7271	-16.4718	-58.8718	-90.0707	28	7	0	2511	1	8	8
A-D	0.0	5.0189	-49.5698	-44.5509	22	13	0	2022	0	10	10
A-F	-24.1448	-42.4968	2.059	-64.5825	142	57	4	12332	4	35	23
A-G	0.0	-0.4079	-26.3436	-26.7515	34	3	1	1440	1	9	5
B-C	-48.0011	-38.8447	-227.21	-314.0558	146	55	3	11931	1	34	21
C-D	-24.1933	-24.8263	58.574	9.5544	138	92	5	12181	3	38	22
C-F	0.0	0.0	-5.476	-5.476	4	0	0	137	0	2	2
D-E	-22.5708	-12.289	-3.9268	-38.7866	127	66	4	11155	0	20	13
D-F	-6.14	-26.33	-50.5999	-83.0699	31	14	0	2604	1	8	8
E-F	-31.874	-19.4292	62.8167	11.5135	155	106	7	14372	2	35	23
F-G	-5.954	-32.9886	-152.48	-191.4226	50	21	2	5655	4	30	28

Interface residues

• A-B: ALA139B, ALA147B, ALA181B, ALA192A, ALA200A, ALA255B, ALA259B, ALA261B, ALA272B, ALA286A, ALA302B, ALA318A, ALA332B, ALA369B, ARG142B, ARG194A, ARG210A, ARG254A, ARG280A, ARG294B, ARG338B, ARG350A, ARG372B, ASN146B, ASN209A, ASN278A, ASN284A, ASN306B, ASN352A, ASN356A, ASP136B, ASP199A, ASP281A, ASP330B, ASP337B, GLN140B, GLN179B, GLN191A, GLN195A, GLN204A, GLN301A, GLN301B, GLN334B, GLU149B, GLU269B, GLY141B, GLY214A, GLY274B, GLY298A, GLY298B, GLY299A, GLY310B, GLY327B, GLY328B, HIS188A, HIS283A, ILE174B, ILE207A, ILE258B, ILE262B, ILE275B, ILE285A, ILE296B, ILE307B, ILE360A, LEU129A, LEU137B, LEU138B, LEU148B, LEU203A, LEU211A, LEU217A, LEU287A, LEU311B, LEU358A, LYS178B, LYS218A, LYS289A, LYS317A, LYS355A, MET197A, MET202A, MET308B, MET331B, MET357A, PHE176B, PHE270B, PHE297B, PHE303A, PHE329B, PHE336B, PRO201A, PRO279A, PRO300A, PRO300B, PRO312B, SER144B, SER145B, SER177B, SER193A, SER205A, SER271B, SER273B, SER305B, SER333B, THR143B, THR180B, THR304B, TRP189A, TRP282A, TRP282B, TRP309B, TYR150B, TYR206A, TYR213A, TYR263B, TYR295A, TYR295B, TYR371B, VAL151B, VAL190A, VAL196A, VAL313B, VAL326B, VAL335B
• A-C: ARG294A, ARG294C, ASN291A, ASP290A, ASP290C, GLN301A, GLU292A, GLU292C, GLY293A, GLY293C, GLY298A, GLY298C, GLY299A, GLY299C, GLY310C, ILE296A, ILE296C, ILE307C, LEU287C, LEU288C, LYS289A, LYS289C, PHE297C, PRO300A, PRO300C, TRP309C, TYR295A, TYR295C
• A-D: ALA255A, ARG294A, ARG294D, ASN291A, ASN291D, ASP256A, ASP256D, ASP290A, ASP290D, GLU292A, GLU292D, GLY293A, GLY293D, ILE296A, ILE296D, LEU288A, LEU288D, LYS289A, LYS289D, THR253A, THR253D, TYR295A
• A-F: ALA139A, ALA147A, ALA192F, ALA249A, ALA255A, ALA259A, ALA261A, ALA272A, ALA286F, ALA302F, ALA318F, ALA320F, ALA321F, ALA332A, ALA369A, ARG130F, ARG131F, ARG142A, ARG152A, ARG194F, ARG210F, ARG280F, ARG294A, ARG294F, ARG372A, ASN158A, ASN159A, ASN209F, ASN248A, ASN278F, ASN284F, ASN291A, ASN356F, ASP199F, ASP244A, ASP252A, ASP256A, ASP281F, ASP290A, ASP330A, ASP337A, GLN140A, GLN191F, GLN195F, GLN264A, GLN301F, GLN319F, GLN334A, GLU149A, GLU153A, GLU220F, GLU267A, GLU269A, GLU292A, GLY128F, GLY141A, GLY214F, GLY251A, GLY274A, GLY293A, GLY293F, GLY298F, GLY299F, GLY310A, GLY328A, HIS260A, HIS283F, ILE174A, ILE207F, ILE257A, ILE258A, ILE262A, ILE275A, ILE296A, ILE307A, ILE360F, LEU129F, LEU132F, LEU148A, LEU203F, LEU217F, LEU247A, LEU277F, LEU287F, LEU288A, LEU311A, LYS178A, LYS218F, LYS289F, LYS317F, LYS355F, MET126F, MET202F, MET308A, MET331A, MET357F, PHE156A, PHE176A, PHE270A, PHE297A, PHE303F, PHE336A, PRO127F, PRO201F, PRO279F, PRO300F, PRO312A, PRO315F, SER144A, SER145A, SER172A, SER193F, SER205F, SER246A, SER268A, SER271A, SER273A, SER305F, SER333A, THR143A, THR180A, THR250A, THR253A, THR266A, THR304F, THR316F, THR374A, TRP282F, TRP309A, TYR150A, TYR206F, TYR213F, TYR243A, TYR263A, TYR295F, TYR371A, VAL151A, VAL190F, VAL196F, VAL265A, VAL326A, VAL335A
• A-G: ALA147A, ALA147G, ALA181A, ALA181G, ARG338A, ARG365A, ARG365G, ASN146A, ASN146G, ASN182A, ASN182G, ASP231A, ASP231G, GLN179A, GLN179G, GLU149A, GLU149G, GLY230A, GLY230G, LEU148A, LEU148G, LYS178A, LYS178G, LYS184A, LYS184G, SER144A, SER145A, SER145G, THR180A, THR180G, THR185A, THR229G, VAL183A, VAL183G
• B-C: ALA139C, ALA147C, ALA192B, ALA216B, ALA249C, ALA255C, ALA259C, ALA261C, ALA272C, ALA286B, ALA302B, ALA318B, ALA320B, ALA321B, ALA332C, ALA369C, ALA375C, ARG130B, ARG131B, ARG142C, ARG152C, ARG194B, ARG210B, ARG280B, ARG294B, ARG294C, ARG338C, ARG372C, ASN146C, ASN158C, ASN209B, ASN248C, ASN278B, ASN284B, ASN291C, ASN356B, ASP199B, ASP244C, ASP252C, ASP256C, ASP281B, ASP290C, ASP330C, ASP337C, GLN140C, GLN179C, GLN191B, GLN195B, GLN264C, GLN301B, GLN319B, GLN334C, GLU149C, GLU153C, GLU220B, GLU267C, GLU269C, GLU292C, GLY128B, GLY141C, GLY214B, GLY251C, GLY293C, GLY298B, GLY298C, GLY299B, GLY310C, GLY328C, HIS188B, HIS260C, HIS283B, HIS370C, ILE125B, ILE174C, ILE207B, ILE257C, ILE258C, ILE262C, ILE275C, ILE296C, ILE307C, ILE360B, LEU129B, LEU132B, LEU148C, LEU203B, LEU211B, LEU217B, LEU247C, LEU287B, LEU311C, LEU358B, LYS178C, LYS289B, LYS317B, LYS355B, MET202B, MET308C, MET331C, MET357B, PHE156C, PHE176C, PHE270C, PHE297B, PHE297C, PHE303B, PHE336C, PRO127B, PRO201B, PRO279B, PRO300B, PRO312C, PRO315B, PRO373C, SER144C, SER145C, SER177C, SER193B, SER205B, SER246C, SER268C, SER271C, SER273C, SER333C, THR143C, THR250C, THR253C, THR266C, THR304B, THR316B, TRP189B, TRP282B, TRP282C, TRP309C, TYR150C, TYR206B, TYR213B, TYR243C, TYR263C, TYR295B, TYR371C, VAL151C, VAL190B, VAL196B, VAL265C, VAL326C
• C-D: ALA139D, ALA147D, ALA192C, ALA200C, ALA249D, ALA255D, ALA259D, ALA261D, ALA272D, ALA286C, ALA302C, ALA318C, ALA320C, ALA321C, ALA332D, ALA369D, ALA375D, ARG130C, ARG131C, ARG142D, ARG152D, ARG194C, ARG210C, ARG280C, ARG294C, ARG294D, ARG372D, ASN158D, ASN209C, ASN248D, ASN278C, ASN284C, ASN291D, ASN356C, ASP199C, ASP244D, ASP252D, ASP256D, ASP281C, ASP290D, ASP330D, GLN140D, GLN191C, GLN195C, GLN264D, GLN301C, GLN319C, GLN334D, GLU149D, GLU153D, GLU220C, GLU267D, GLU269D, GLU292D, GLY128C, GLY141D, GLY214C, GLY251D, GLY293C, GLY298C, GLY299C, GLY310D, GLY328D, HIS188C, HIS260D, HIS283C, HIS370D, ILE174D, ILE207C, ILE257D, ILE258D, ILE262D, ILE275D, ILE296D, ILE307D, ILE360C, LEU129C, LEU148D, LEU203C, LEU211C, LEU217C, LEU247D, LEU277C, LEU287C, LEU311D, LEU358C, LYS178D, LYS218C, LYS289C, LYS317C, LYS355C, MET126C, MET202C, MET308D, MET331D, MET357C, PHE156D, PHE176D, PHE270D, PHE297D, PHE303C, PHE336D, PRO201C, PRO279C, PRO300C, PRO312D, PRO315C, PRO373D, SER144D, SER145D, SER177D, SER193C, SER246D, SER268D, SER271D, SER273D, SER333D, THR143D, THR250D, THR253D, THR266D, THR304C, THR316C, TRP189C, TRP282C, TRP309D, TYR150D, TYR206C, TYR213C, TYR243D, TYR263D, TYR295C, TYR371D, VAL151D, VAL190C, VAL196C, VAL265D, VAL326D
• C-F: ARG294C, ARG294F, GLU292C, GLU292F
• D-E: ALA139E, ALA147E, ALA192D, ALA200D, ALA255E, ALA259E, ALA261E, ALA272E, ALA286D, ALA302E, ALA318D, ALA321D, ALA332E, ALA367E, ALA369E, ARG130D, ARG142E, ARG152E, ARG194D, ARG210D, ARG254D, ARG280D, ARG338E, ARG372E, ASN146E, ASN209D, ASN278D, ASN284D, ASN306E, ASN352D, ASN356D, ASP136E, ASP199D, ASP281D, ASP330E, ASP337E, GLN140E, GLN179E, GLN191D, GLN195D, GLN204D, GLN301D, GLN301E, GLN334E, GLU149E, GLU269E, GLY141E, GLY214D, GLY274E, GLY298E, GLY299D, GLY299E, GLY310E, GLY327E, GLY328E, HIS188D, HIS260E, HIS283D, ILE207D, ILE258E, ILE262E, ILE275E, ILE307E, ILE360D, LEU129D, LEU137E, LEU138E, LEU148E, LEU203D, LEU211D, LEU215D, LEU217D, LEU287D, LEU311E, LEU358D, LEU368E, LYS178E, LYS218D, LYS289D, LYS317D, LYS355D, MET202D, MET308E, MET331E, MET357D, PHE176E, PHE270E, PHE297E, PHE303D, PHE303E, PHE329E, PHE336E, PRO201D, PRO279D, PRO300D, PRO300E, PRO312E, SER144E, SER145E, SER177E, SER193D, SER205D, SER271E, SER273E, SER305E, SER333E, THR143E, THR180E, THR304E, THR359D, TRP189D, TRP282D, TRP282E, TRP309E, TYR150E, TYR206D, TYR213D, TYR263E, TYR295D, TYR295E, TYR371E, VAL151E, VAL190D, VAL196D, VAL313E, VAL326E, VAL335E
• D-F: ALA286F, ARG294D, ARG294F, ASN291D, ASN306F, ASP290D, ASP290F, GLN301D, GLN301F, GLU292D, GLU292F, GLY293D, GLY293F, GLY298D, GLY298F, GLY299F, GLY310F, ILE296D, ILE296F, ILE307F, LEU287F, LEU288F, LEU311F, LYS289D, LYS289F, PHE297F, PRO300D, PRO300F, TRP309F, TYR295D, TYR295F
• E-F: ALA139F, ALA147F, ALA181F, ALA192E, ALA200E, ALA249F, ALA255F, ALA259F, ALA261F, ALA272F, ALA286E, ALA302E, ALA318E, ALA320E, ALA321E, ALA332F, ALA369F, ALA375F, ARG130E, ARG131E, ARG142F, ARG152F, ARG194E, ARG210E, ARG280E, ARG294E, ARG294F, ARG347E, ARG372F, ASN146F, ASN158F, ASN209E, ASN248F, ASN278E, ASN284E, ASN291F, ASN356E, ASP198E, ASP199E, ASP244F, ASP252F, ASP256F, ASP281E, ASP290F, ASP330F, ASP337F, GLN140F, GLN179F, GLN191E, GLN195E, GLN264F, GLN301E, GLN319E, GLN334F, GLU149F, GLU153F, GLU220E, GLU267F, GLU269F, GLU292E, GLU292F, GLY128E, GLY141F, GLY214E, GLY251F, GLY293E, GLY293F, GLY298F, GLY299E, GLY310F, GLY328F, HIS188E, HIS260F, HIS283E, HIS370F, ILE174F, ILE207E, ILE257F, ILE258F, ILE262F, ILE275F, ILE296F, ILE307F, ILE360E, LEU129E, LEU137F, LEU148F, LEU203E, LEU211E, LEU217E, LEU247F, LEU277E, LEU287E, LEU311F, LEU358E, LYS178F, LYS218E, LYS289E, LYS289F, LYS317E, LYS355E, MET126E, MET197E, MET202E, MET308F, MET331F, MET357E, PHE156F, PHE176F, PHE270F, PHE297F, PHE303E, PHE329F, PHE336F, PRO127E, PRO201E, PRO279E, PRO300E, PRO312F, PRO315E, PRO373F, SER144F, SER145F, SER177F, SER193E, SER205E, SER246F, SER268F, SER271F, SER273F, SER305E, SER333F, THR133E, THR143F, THR180F, THR250F, THR253F, THR266F, THR304E, THR316E, TRP189E, TRP282E, TRP309F, TYR150F, TYR206E, TYR213E, TYR243F, TYR263F, TYR295E, TYR371F, VAL151F, VAL190E, VAL196E, VAL265F, VAL326F
• F-G: ALA187G, ARG194F, ARG338G, ARG347F, ARG347G, ARG350F, ARG350G, ARG365G, ASN146G, ASN352F, ASN352G, ASN356F, ASP198F, ASP199F, ASP231G, ASP349F, ASP349G, ASP351F, ASP351G, CYS362G, GLN191G, GLN195F, GLU344G, GLU348F, GLU348G, GLU363G, GLU364G, HIS188G, ILE186G, ILE360G, LEU358F, LEU358G, LEU361G, LYS184G, LYS355F, MET197G, MET339G, MET357F, PHE353F, SER193F, SER346G, THR185G, THR342G, THR359G, TRP189G, VAL183G, VAL190G, VAL343G, VAL345G, VAL354F