3IZG

bacteriophage t7 prohead shell em-derived atomic model

• Total interactions analyzed: 21
• Total true interactions: 11
• Strongest Interaction:
  • Chains: G-A
  • Int. Res.: 49
  • Norm. En. per Res.: -3.3527
• Hub Node: A(3)

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
G-A	-20.8103	32.8503	-176.321	-164.281	49	66	1	6820	4	27	28
G-B	0.0	0.0	-63.8083	-63.8083	27	7	6	2039	0	3	3
G-F	0.0	0.0	-14.9794	-14.9794	27	0	1	805	0	6	3
A-B	0.0	7.4718	-49.6639	-42.1921	87	6	0	4100	0	16	13
A-C	0.0	0.0	-0.0256	-0.0256	4	0	0	12	0	0	0
A-F	-7.6921	-3.4342	-248.196	-259.3224	125	17	9	11807	0	25	22
B-C	-12.5998	13.2645	-338.485	-337.8203	145	28	7	14511	0	32	29
C-D	-13.0994	-5.6762	-239.515	-258.2906	120	15	10	11283	0	24	21
D-E	0.0	2.4519	-51.6855	-49.2336	82	7	0	3497	0	16	12
D-F	0.0	0.0	-0.03	-0.03	4	0	0	14	0	0	0
E-F	-14.4431	18.6246	-304.983	-300.8015	136	29	7	13306	0	31	26

Interface residues

• G-A: ALA202A, ARG119A, ARG119G, ARG310A, ARG310G, ASN114A, ASN114G, ASN153A, ASN153G, ASN155A, ASN155G, ASP117A, ASP117G, CYS146A, GLU121A, GLU121G, GLU149A, GLU149G, GLU154A, GLU154G, HIS115A, HIS115G, ILE156G, LEU145A, LEU306G, LEU308A, LEU308G, LYS151A, LYS151G, LYS343A, MET113A, MET113G, SER120A, SER120G, SER150A, SER150G, THR123A, THR123G, TYR116A, TYR116G, TYR122A, TYR122G, TYR152A, TYR152G, VAL118A, VAL118G, VAL148A, VAL148G, VAL341A
• G-B: ALA133B, ALA134B, ALA137B, ALA140B, ALA143G, ASN147G, ASP135B, CYS146G, GLN125G, GLU128G, GLU141B, GLU149G, GLY127G, GLY136B, GLY144G, ILE142B, LEU126G, LEU139B, LEU145G, LYS151G, LYS302G, SER124G, SER129G, SER150G, THR123G, VAL138B, VAL148G
• G-F: ALA314G, ALA318G, ALA323F, ALA326F, ARG333G, ASP117G, GLN317G, GLN320F, GLN320G, GLU154G, GLU157G, GLU335G, GLY331G, HIS329F, ILE156G, ILE165F, ILE321G, ILE322F, ILE322G, LEU159G, LYS324G, MET327F, PHE316G, THR167F, TYR116G, TYR325F, VAL118G
• A-B: ALA112B, ALA131B, ALA133B, ALA134B, ALA137B, ALA143B, ALA162A, ALA255A, ALA258A, ALA274A, ALA323A, ARG310B, ARG333A, ASN114B, ASN147B, ASN155A, ASN275A, ASN280B, ASP111B, ASP135B, CYS146B, GLN125B, GLU128B, GLU149B, GLU154A, GLU166A, GLU263B, GLU309B, GLU335A, GLY136B, GLY144B, GLY158A, GLY160A, GLY244B, GLY256A, GLY259A, GLY279B, GLY290A, HIS115B, HIS252A, HIS270B, HIS329A, ILE142B, ILE156A, ILE165A, ILE289A, ILE321A, ILE322A, LEU100A, LEU130B, LEU139B, LEU145B, LEU159A, LEU231B, LEU253A, LYS171A, LYS182A, LYS269B, LYS282B, LYS324A, MET113B, MET132B, MET243B, MET327A, PHE272B, PRO234B, PRO251A, PRO273A, SER124B, SER129B, SER150B, SER238B, THR123B, THR161A, THR163A, THR167A, THR168A, THR254A, TYR199A, VAL138B, VAL148B, VAL164A, VAL242B, VAL250A, VAL271B, VAL281B, VAL283B
• A-C: GLY264C, THR266A, THR266C, VAL271C
• A-F: ALA102F, ALA112A, ALA131A, ALA133A, ALA134A, ALA137A, ALA140A, ALA143A, ALA162F, ALA172F, ALA186F, ALA202F, ALA203F, ALA255F, ALA258F, ALA274F, ALA307A, ALA323F, ALA336F, ARG240A, ARG333F, ASN114A, ASN147A, ASN155F, ASN170F, ASN241A, ASN275F, ASN287F, ASP103F, ASP111A, ASP135A, CYS146A, GLN125A, GLN169F, GLU128A, GLU141A, GLU149A, GLU154F, GLU157F, GLU166F, GLU183F, GLU235A, GLU249F, GLU263A, GLU309A, GLU335F, GLY136A, GLY144A, GLY158F, GLY160F, GLY237A, GLY244A, GLY256F, GLY259F, GLY267F, GLY290F, GLY330F, GLY331F, HIS115A, HIS252F, HIS270A, HIS329F, ILE142A, ILE156F, ILE165F, ILE232A, ILE239A, ILE289F, ILE321F, ILE322F, LEU100F, LEU130A, LEU139A, LEU145A, LEU159F, LEU231A, LEU253F, LEU306A, LEU308A, LEU332F, LYS171F, LYS182F, LYS190F, LYS236A, LYS276F, LYS282A, LYS302A, LYS324F, MET113A, MET132A, MET243A, MET327F, PHE272F, PRO201F, PRO234A, PRO251F, PRO273F, PRO334F, SER124A, SER129A, SER150A, SER238A, THR101F, THR123A, THR161F, THR163F, THR167F, THR168F, THR175F, THR254F, THR266F, TYR116A, TYR122A, TYR199F, TYR228A, VAL138A, VAL148A, VAL164F, VAL178F, VAL200F, VAL242A, VAL250F, VAL281A, VAL283A, VAL288F
• B-C: ALA102B, ALA112C, ALA131C, ALA133C, ALA134C, ALA137C, ALA140C, ALA143C, ALA162B, ALA172B, ALA179B, ALA186B, ALA187B, ALA202B, ALA203B, ALA229C, ALA255B, ALA258B, ALA274B, ALA307C, ALA318B, ALA323B, ALA336B, ARG240C, ARG310C, ARG333B, ASN114C, ASN147C, ASN155B, ASN170B, ASN198B, ASN241C, ASN275B, ASN280C, ASN287B, ASP103B, ASP111C, ASP135C, ASP233C, CYS146C, GLN125C, GLN169B, GLN268B, GLU121C, GLU128C, GLU141C, GLU149C, GLU154B, GLU157B, GLU166B, GLU183B, GLU235C, GLU249B, GLU263C, GLU278B, GLU309C, GLU335B, GLY127C, GLY136C, GLY144C, GLY158B, GLY160B, GLY237C, GLY244C, GLY256B, GLY257B, GLY259B, GLY267B, GLY277B, GLY290B, GLY330B, GLY331B, HIS115C, HIS252B, HIS270C, HIS329B, ILE142C, ILE156B, ILE165B, ILE185B, ILE232C, ILE239C, ILE289B, ILE321B, LEU100B, LEU126C, LEU130C, LEU139C, LEU145C, LEU159B, LEU231C, LEU253B, LEU306C, LEU308C, LEU332B, LYS171B, LYS182B, LYS190B, LYS236C, LYS269C, LYS276B, LYS282C, LYS324B, MET113C, MET132C, MET243C, MET327B, PHE245C, PHE272B, PRO201B, PRO234C, PRO251B, PRO273B, PRO334B, SER124C, SER129C, SER150C, SER238C, THR101B, THR123C, THR161B, THR163B, THR167B, THR168B, THR175B, THR254B, THR266B, TYR107C, TYR116C, TYR122C, TYR152B, TYR199B, TYR228C, VAL138C, VAL148C, VAL164B, VAL178B, VAL200B, VAL242C, VAL250B, VAL271B, VAL281C, VAL283C, VAL288B, VAL301C
• C-D: ALA102C, ALA112D, ALA131D, ALA133D, ALA134D, ALA137D, ALA140D, ALA143D, ALA162C, ALA172C, ALA186C, ALA202C, ALA203C, ALA255C, ALA258C, ALA274C, ALA323C, ALA336C, ARG240D, ARG333C, ASN114D, ASN147D, ASN155C, ASN241D, ASN275C, ASN287C, ASP103C, ASP111D, ASP135D, ASP233D, CYS146D, GLN125D, GLU128D, GLU141D, GLU149D, GLU157C, GLU183C, GLU235D, GLU249C, GLU263D, GLU278C, GLU335C, GLY136D, GLY144D, GLY158C, GLY160C, GLY237D, GLY244D, GLY256C, GLY257C, GLY259C, GLY267C, GLY290C, GLY330C, GLY331C, HIS115D, HIS252C, HIS270D, HIS329C, ILE142D, ILE156C, ILE165C, ILE232D, ILE239D, ILE289C, ILE321C, ILE322C, LEU100C, LEU130D, LEU139D, LEU145D, LEU159C, LEU231D, LEU253C, LEU306D, LEU332C, LYS171C, LYS182C, LYS190C, LYS236D, LYS276C, LYS282D, LYS324C, MET113D, MET132D, MET243D, MET327C, PHE272C, PRO201C, PRO234D, PRO251C, PRO273C, PRO334C, SER124D, SER129D, SER150D, SER238D, THR101C, THR123D, THR161C, THR163C, THR167C, THR168C, THR175C, THR254C, THR266C, TYR122D, TYR199C, TYR228D, VAL138D, VAL148D, VAL164C, VAL178C, VAL200C, VAL242D, VAL250C, VAL271C, VAL281D, VAL283D, VAL288C
• D-E: ALA112E, ALA131E, ALA133E, ALA134E, ALA137E, ALA162D, ALA255D, ALA258D, ALA274D, ALA323D, ARG333D, ASN114E, ASN147E, ASN155D, ASN275D, ASN280E, ASP111E, ASP135E, CYS146E, GLN125E, GLU128E, GLU149E, GLU154D, GLU263E, GLU309E, GLY136E, GLY144E, GLY160D, GLY244E, GLY256D, GLY259D, GLY279E, GLY290D, HIS115E, HIS252D, HIS270E, HIS329D, ILE142E, ILE156D, ILE165D, ILE289D, ILE321D, ILE322D, LEU100D, LEU130E, LEU139E, LEU145E, LEU159D, LEU231E, LEU253D, LYS171D, LYS182D, LYS269E, LYS282E, LYS324D, MET113E, MET132E, MET243E, MET327D, PHE272E, PRO234E, PRO251D, PRO273D, SER124E, SER129E, SER150E, SER238E, THR101D, THR123E, THR161D, THR163D, THR167D, THR168D, THR254D, TYR199D, VAL148E, VAL164D, VAL242E, VAL250D, VAL271E, VAL281E, VAL283E
• D-F: GLY264F, THR266D, THR266F, VAL271F
• E-F: ALA102E, ALA112F, ALA131F, ALA133F, ALA134F, ALA137F, ALA140F, ALA143F, ALA162E, ALA172E, ALA179E, ALA186E, ALA202E, ALA229F, ALA255E, ALA258E, ALA274E, ALA307F, ALA318E, ALA323E, ALA336E, ARG119E, ARG240F, ARG333E, ASN114F, ASN147F, ASN155E, ASN170E, ASN241F, ASN275E, ASN280F, ASN287E, ASP103E, ASP111F, ASP135F, ASP233F, CYS146F, GLN125F, GLN169E, GLN268E, GLU128F, GLU141F, GLU149F, GLU154E, GLU157E, GLU166E, GLU183E, GLU235F, GLU249E, GLU263F, GLU278E, GLU309F, GLU335E, GLY127F, GLY136F, GLY144F, GLY158E, GLY160E, GLY237F, GLY244F, GLY256E, GLY257E, GLY259E, GLY267E, GLY277E, GLY290E, GLY330E, GLY331E, HIS115F, HIS252E, HIS270F, HIS329E, ILE142F, ILE156E, ILE165E, ILE232F, ILE239F, ILE289E, ILE321E, ILE322E, LEU100E, LEU130F, LEU139F, LEU145F, LEU159E, LEU231F, LEU253E, LEU306F, LEU308F, LEU332E, LYS171E, LYS182E, LYS190E, LYS236F, LYS269F, LYS276E, LYS282F, LYS324E, MET113F, MET132F, MET243F, MET327E, PHE272E, PRO201E, PRO234F, PRO251E, PRO273E, PRO334E, SER124F, SER129F, SER150F, SER238F, THR101E, THR123F, THR161E, THR163E, THR167E, THR168E, THR175E, THR254E, THR266E, TYR107F, TYR116F, TYR122F, TYR199E, TYR228F, VAL138F, VAL148F, VAL164E, VAL178E, VAL242F, VAL250E, VAL271E, VAL281F, VAL283F, VAL288E