2PT7

crystal structure of cag virb11 (hp0525) and an inhibitory protein (hp1451)

• Total interactions analyzed: 28
• Total true interactions: 22
• Strongest Interaction:
  • Chains: D-H
  • Int. Res.: 83
  • Norm. En. per Res.: -2.8911
• 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	-64.8326	-35.4392	-435.219	-535.4908	190	16	6	17408	7	52	62
A-C	0.0	0.0	-0.6698	-0.6698	6	0	0	66	0	0	3
A-E	0.0	0.0	-0.0338	-0.0338	2	0	0	12	0	2	3
A-F	-61.546	22.3136	-386.172	-425.4044	178	22	5	16538	1	52	61
A-G	-14.0876	-45.2458	-154.228	-213.5614	83	3	4	7154	3	24	26
A-H	0.0	0.0	-0.2156	-0.2156	5	0	0	58	0	4	2
B-C	-29.1869	-3.2112	-377.894	-410.2921	173	18	5	16071	3	56	47
B-D	0.0	0.0	-0.0301	-0.0301	3	0	0	12	0	2	3
B-F	0.0	0.0	-0.3102	-0.3102	7	0	0	62	0	1	2
B-G	-29.8537	-22.5945	-157.887	-210.3352	76	8	3	5976	1	26	27
C-D	-37.8157	18.1153	-387.685	-407.3855	178	22	5	16439	1	51	61
C-E	0.0	0.0	-0.3429	-0.3429	7	0	0	65	0	1	2
C-F	0.0	0.0	-6.5825	-6.5825	6	1	0	195	0	0	1
C-G	0.0	-4.5857	-7.8209	-12.4066	17	0	0	273	0	8	4
D-E	-58.4135	-38.1107	-431.381	-527.9052	187	13	5	17011	6	52	62
D-F	0.0	0.0	-0.5837	-0.5837	5	0	0	59	0	0	3
D-G	0.0	0.0	-0.2742	-0.2742	5	0	0	70	0	4	2
D-H	-22.0191	-46.0826	-171.86	-239.9617	83	5	5	7852	3	25	27
E-F	-30.077	-7.8279	-354.887	-392.7919	167	20	5	15416	3	53	46
E-H	-27.347	-23.3687	-156.768	-207.4836	77	9	3	6029	1	26	27
F-H	0.0	-2.1927	-7.4212	-9.614	15	0	0	257	0	8	4
G-H	0.0	0.0	-8.2193	-8.2193	21	7	0	874	0	0	13

Interface residues

• A-B: ALA230A, ALA274B, ALA280B, ALA285B, ALA293A, ALA294A, ALA294B, ALA8A, ARG113B, ARG133B, ARG18A, ARG200A, ARG238A, ARG240A, ARG250B, ARG283B, ARG295A, ARG295B, ARG80B, ARG86B, ASN101B, ASN124B, ASN173A, ASN217A, ASN226A, ASN259A, ASN286B, ASN291A, ASN291B, ASN296A, ASN296B, ASN51B, ASN53B, ASN61B, ASN98B, ASP10A, ASP125B, ASP206B, ASP231A, ASP242A, ASP256A, ASP308A, CYS177B, CYS232A, CYS236A, CYS262A, CYS49B, GLN115B, GLN220A, GLN66B, GLU100B, GLU126B, GLU15A, GLU17A, GLU198A, GLU199A, GLU205A, GLU208A, GLU209A, GLU278B, GLU279B, GLU300B, GLU47B, GLU64B, GLU9A, GLY178B, GLY179B, GLY181B, GLY183B, GLY224A, GLY225A, GLY264A, GLY275B, GLY305A, GLY52B, GLY63B, HIS215A, HIS265A, HIS273B, HIS315B, HIS318B, HIS83B, ILE103B, ILE116B, ILE128B, ILE130B, ILE132B, ILE134B, ILE201A, ILE202A, ILE204A, ILE210A, ILE227A, ILE282B, ILE297A, ILE297B, ILE303B, ILE45B, ILE48B, LEU104B, LEU118B, LEU14A, LEU20A, LEU221A, LEU233A, LEU237A, LEU261A, LEU272B, LEU284B, LEU302A, LEU302B, LEU309A, LEU59B, LEU6A, LEU78B, LYS11A, LYS12A, LYS184B, LYS197A, LYS216A, LYS21A, LYS234A, LYS266A, LYS298A, LYS298B, LYS320B, LYS60B, LYS74B, LYS93A, LYS94B, MET239A, MET287B, MET82B, PHE13A, PHE212A, PHE222A, PHE223A, PHE223B, PHE299B, PRO102B, PRO120B, PRO135B, PRO241A, PRO67B, SER105B, SER106B, SER119B, SER129B, SER131B, SER136B, SER182B, SER203A, SER229A, SER235A, SER251B, SER252B, SER263A, SER276B, SER288B, SER289B, SER290B, SER292A, SER292B, SER301A, SER301B, SER77B, SER79B, SER7A, THR122B, THR127B, THR180B, THR207A, THR219A, THR228A, THR46B, TRP57B, TRP65B, TYR218A, TYR255A, TYR258A, TYR50B, TYR99B, VAL114B, VAL117B, VAL121B, VAL123B, VAL260A, VAL55B, VAL56B, VAL58B
• A-C: ARG295A, ARG295C, ASN296A, LYS298A, LYS298C, SER292C
• A-E: ARG295A, ASN296E
• A-F: ALA109F, ALA230F, ALA274A, ALA280A, ALA285A, ALA293F, ALA294A, ALA294F, ARG113A, ARG113F, ARG133A, ARG200F, ARG238F, ARG240F, ARG250A, ARG283A, ARG295A, ARG295F, ASN101A, ASN107F, ASN110F, ASN124A, ASN173F, ASN217F, ASN226F, ASN259F, ASN286A, ASN296A, ASN296F, ASN317A, ASN51A, ASN53A, ASN61A, ASN98A, ASP125A, ASP231F, ASP242F, ASP256F, ASP308F, ASP97A, CYS177A, CYS232F, CYS236F, CYS262F, CYS49A, GLN115A, GLN220F, GLN66A, GLU100A, GLU126A, GLU198F, GLU199F, GLU205F, GLU208F, GLU278A, GLU279A, GLU300A, GLU300F, GLU304F, GLU47A, GLU64A, GLY111F, GLY171F, GLY178A, GLY179A, GLY181A, GLY183A, GLY224F, GLY225F, GLY264F, GLY267F, GLY275A, GLY305F, GLY52A, GLY63A, HIS215F, HIS265F, HIS273A, HIS315A, HIS318A, HIS319A, ILE103A, ILE116A, ILE128A, ILE130A, ILE132A, ILE134A, ILE170F, ILE201F, ILE202F, ILE204F, ILE227F, ILE282A, ILE297A, ILE297F, ILE303A, ILE316A, ILE45A, ILE48A, LEU104A, LEU118A, LEU221F, LEU233F, LEU237F, LEU25F, LEU261F, LEU272A, LEU284A, LEU302A, LEU302F, LEU309F, LEU59A, LYS184A, LYS197F, LYS216F, LYS234F, LYS266F, LYS298A, LYS298F, LYS320A, LYS60A, LYS92F, LYS93F, LYS94A, LYS94F, MET239F, MET287A, PHE212F, PHE222F, PHE223F, PHE281A, PHE299A, PHE299F, PHE306F, PHE91F, PRO102A, PRO120A, PRO135A, PRO135F, PRO241F, PRO67A, SER105A, SER106A, SER119A, SER129A, SER131A, SER182A, SER203F, SER235F, SER251A, SER263F, SER276A, SER289A, SER290A, SER292F, SER301A, SER301F, THR122A, THR127A, THR180A, THR219F, THR228F, THR46A, TRP57A, TRP65A, TYR218F, TYR255F, TYR258F, TYR50A, TYR99A, VAL114A, VAL117A, VAL121A, VAL123A, VAL260F, VAL55A, VAL56A, VAL58A
• A-G: ALA169G, ALA19A, ALA23A, ALA24A, ALA89A, ALA8A, ARG166G, ARG18A, ARG238A, ARG86A, ASN176G, ASN226A, ASN249G, ASN251G, ASN26A, ASP10A, ASP125G, ASP155G, ASP252G, CYS87A, CYS88A, GLU122G, GLU15A, GLU162G, GLU17A, GLU22A, GLU9A, GLY161G, GLY183G, HIS129G, HIS179G, HIS83A, ILE119G, ILE149G, ILE151G, ILE160G, ILE178G, ILE190G, ILE227A, LEU123G, LEU126G, LEU130G, LEU14A, LEU158G, LEU159G, LEU170G, LEU173G, LEU174G, LEU188G, LEU20A, LEU250G, LEU25A, LEU28A, LEU6A, LYS11A, LYS12A, LYS168G, LYS21A, LYS234A, LYS254G, LYS92A, LYS93A, LYS94A, PHE127G, PHE13A, PHE175G, PHE91A, PRO131G, PRO180G, PRO27A, SER171G, SER7A, SER90A, THR181G, THR248G, TRP177G, TYR132G, TYR165G, TYR167G, TYR172G, TYR182G, TYR229G, VAL16A
• A-H: GLU100A, GLY216H, LYS217H, TYR99A, VAL215H
• B-C: ALA169B, ALA274C, ALA285C, ALA293B, ALA293C, ALA294B, ALA294C, ARG113C, ARG133C, ARG200B, ARG238B, ARG240B, ARG250C, ARG283C, ARG295B, ARG295C, ASN101C, ASN107C, ASN124C, ASN217B, ASN226B, ASN226C, ASN259B, ASN286C, ASN291C, ASN296B, ASN296C, ASN51C, ASN53C, ASN61C, ASN98C, ASP125C, ASP206C, ASP231B, ASP242B, ASP308B, CYS232B, CYS236B, CYS262B, CYS49C, GLN115C, GLN220B, GLN66C, GLU100C, GLU198B, GLU199B, GLU205B, GLU208B, GLU209C, GLU248C, GLU253C, GLU279C, GLU300B, GLU304B, GLU47C, GLU64C, GLY171B, GLY178C, GLY179C, GLY181C, GLY224B, GLY224C, GLY225B, GLY225C, GLY264B, GLY267B, GLY275C, GLY305B, GLY52C, GLY63C, HIS215B, HIS265B, HIS273C, HIS318C, ILE103C, ILE116C, ILE128C, ILE130C, ILE132C, ILE134C, ILE170B, ILE201B, ILE202B, ILE204B, ILE227B, ILE227C, ILE282C, ILE297B, ILE297C, ILE303B, ILE45C, ILE48C, LEU104C, LEU118C, LEU221B, LEU233B, LEU237B, LEU249C, LEU261B, LEU272C, LEU284C, LEU302B, LEU302C, LEU309B, LEU59C, LYS184C, LYS197B, LYS216B, LYS21B, LYS234B, LYS266B, LYS298B, LYS298C, LYS307B, LYS328B, LYS60C, LYS92B, LYS93B, LYS94C, MET239B, MET287C, PHE212B, PHE222B, PHE222C, PHE223B, PHE223C, PHE299B, PHE299C, PHE306B, PRO102C, PRO120C, PRO135C, PRO241B, PRO67C, SER105C, SER106C, SER119C, SER129C, SER131C, SER136C, SER203B, SER235B, SER251C, SER252C, SER263B, SER288C, SER289C, SER290C, SER292B, SER292C, SER301B, THR122C, THR127C, THR180C, THR207C, THR219B, THR228B, THR46C, TRP57C, TRP65C, TYR218B, TYR255B, TYR258B, TYR50C, TYR99C, VAL114C, VAL117C, VAL121C, VAL123C, VAL260B, VAL55C, VAL56C, VAL58C
• B-D: ARG295B, ARG295D, ASN296B
• B-F: ARG295B, ARG295F, ASN296B, ASN296F, ILE297B, LYS298B, PHE299B
• B-G: ALA169G, ALA222G, ALA230B, ALA254B, ARG166G, ARG250B, ARG86B, ASN101B, ASN176G, ASN226B, ASN249G, ASN251G, ASN291B, ASN98B, ASP206B, ASP224G, ASP231B, ASP252G, ASP256B, ASP97B, CYS232B, GLN219G, GLU100B, GLU162G, GLU253B, GLU253G, GLY161G, GLY164G, GLY224B, GLY225B, GLY225G, HIS83B, ILE103B, ILE227B, ILE246G, ILE96B, LEU104B, LEU170G, LEU173G, LEU174G, LEU233B, LEU250G, LYS163G, LYS168G, LYS221G, LYS234B, LYS254G, LYS92B, LYS93B, LYS94B, MET220G, MET287B, MET82B, PHE222B, PHE223B, PRO102B, PRO120B, PRO223G, SER105B, SER229B, SER251B, SER252B, SER290B, SER79B, SER90B, THR228B, THR228G, THR248G, THR95B, TYR165G, TYR172G, TYR229G, TYR255B, TYR255G, TYR99B, VAL257G
• C-D: ALA109C, ALA230C, ALA274D, ALA280D, ALA285D, ALA293C, ALA294C, ALA294D, ARG113C, ARG113D, ARG133D, ARG200C, ARG238C, ARG240C, ARG250D, ARG283D, ARG295C, ARG295D, ASN101D, ASN107C, ASN110C, ASN124D, ASN173C, ASN217C, ASN226C, ASN259C, ASN286D, ASN296C, ASN296D, ASN317D, ASN51D, ASN53D, ASN61D, ASN98D, ASP125D, ASP231C, ASP242C, ASP256C, ASP308C, ASP97D, CYS177D, CYS232C, CYS236C, CYS262C, CYS49D, GLN115D, GLN220C, GLN66D, GLU100D, GLU126D, GLU198C, GLU199C, GLU205C, GLU208C, GLU278D, GLU279D, GLU300C, GLU300D, GLU304C, GLU47D, GLU64D, GLY111C, GLY171C, GLY178D, GLY179D, GLY181D, GLY183D, GLY224C, GLY225C, GLY264C, GLY267C, GLY275D, GLY305C, GLY52D, GLY63D, HIS215C, HIS265C, HIS273D, HIS315D, HIS318D, HIS319D, ILE103D, ILE116D, ILE128D, ILE130D, ILE132D, ILE134D, ILE170C, ILE201C, ILE202C, ILE204C, ILE227C, ILE282D, ILE297C, ILE297D, ILE303D, ILE316D, ILE45D, ILE48D, LEU104D, LEU118D, LEU221C, LEU233C, LEU237C, LEU25C, LEU261C, LEU272D, LEU284D, LEU302C, LEU302D, LEU309C, LEU59D, LYS184D, LYS197C, LYS216C, LYS234C, LYS266C, LYS298C, LYS298D, LYS320D, LYS60D, LYS92C, LYS93C, LYS94C, LYS94D, MET239C, MET287D, PHE212C, PHE222C, PHE223C, PHE281D, PHE299C, PHE299D, PHE306C, PHE91C, PRO102D, PRO120D, PRO135C, PRO135D, PRO241C, PRO67D, SER105D, SER106D, SER119D, SER129D, SER131D, SER182D, SER203C, SER235C, SER251D, SER263C, SER276D, SER289D, SER290D, SER292C, SER301C, SER301D, THR122D, THR127D, THR180D, THR219C, THR228C, THR46D, TRP57D, TRP65D, TYR218C, TYR255C, TYR258C, TYR50D, TYR99D, VAL114D, VAL117D, VAL121D, VAL123D, VAL260C, VAL55D, VAL56D, VAL58D
• C-E: ARG295C, ARG295E, ASN296C, ASN296E, ILE297E, LYS298E, PHE299E
• C-F: ARG295C, ARG295F, ASN296C, ASN296F, LYS298C, LYS298F
• C-G: ASN101C, ASN249G, ASN251G, GLN219G, GLU100C, GLU214G, GLU253G, LYS221G, LYS93C, LYS94C, MET220G, THR211G, THR95C, TYR255G, TYR99C, VAL121C, VAL215G
• D-E: ALA230D, ALA274E, ALA280E, ALA285E, ALA293D, ALA294D, ALA294E, ALA8D, ARG113E, ARG133E, ARG18D, ARG200D, ARG238D, ARG240D, ARG250E, ARG283E, ARG295D, ARG295E, ARG80E, ARG86E, ASN101E, ASN124E, ASN217D, ASN226D, ASN259D, ASN286E, ASN291D, ASN291E, ASN296D, ASN296E, ASN51E, ASN53E, ASN61E, ASN98E, ASP10D, ASP125E, ASP206E, ASP231D, ASP242D, ASP256D, ASP308D, CYS177E, CYS232D, CYS236D, CYS262D, CYS49E, GLN115E, GLN220D, GLN66E, GLU100E, GLU126E, GLU15D, GLU17D, GLU198D, GLU199D, GLU205D, GLU208D, GLU209D, GLU278E, GLU279E, GLU300E, GLU47E, GLU64E, GLU9D, GLY178E, GLY179E, GLY181E, GLY224D, GLY225D, GLY264D, GLY275E, GLY305D, GLY52E, GLY63E, HIS215D, HIS265D, HIS273E, HIS315E, HIS318E, HIS83E, ILE103E, ILE116E, ILE128E, ILE130E, ILE132E, ILE134E, ILE201D, ILE202D, ILE204D, ILE210D, ILE227D, ILE282E, ILE297D, ILE297E, ILE303E, ILE45E, ILE48E, LEU104E, LEU118E, LEU14D, LEU20D, LEU221D, LEU233D, LEU237D, LEU261D, LEU272E, LEU284E, LEU302D, LEU302E, LEU309D, LEU59E, LEU6D, LEU78E, LYS11D, LYS12D, LYS184E, LYS197D, LYS216D, LYS21D, LYS234D, LYS266D, LYS298D, LYS298E, LYS320E, LYS60E, LYS74E, LYS93D, LYS94E, MET239D, MET287E, MET82E, PHE13D, PHE212D, PHE222D, PHE223D, PHE223E, PHE299E, PRO102E, PRO120E, PRO135E, PRO241D, PRO67E, SER105E, SER106E, SER119E, SER129E, SER131E, SER136E, SER182E, SER203D, SER229D, SER235D, SER251E, SER263D, SER276E, SER288E, SER289E, SER290E, SER292D, SER292E, SER301D, SER301E, SER77E, SER79E, SER7D, THR122E, THR127E, THR180E, THR207D, THR219D, THR228D, THR46E, TRP57E, TRP65E, TYR218D, TYR255D, TYR258D, TYR50E, TYR99E, VAL114E, VAL117E, VAL121E, VAL123E, VAL260D, VAL55E, VAL56E, VAL58E
• D-F: ARG295D, ARG295F, ASN296D, LYS298D, LYS298F
• D-G: GLU100D, GLY216G, LYS217G, TYR99D, VAL215G
• D-H: ALA169H, ALA19D, ALA23D, ALA24D, ALA89D, ALA8D, ARG166H, ARG18D, ARG238D, ARG86D, ASN176H, ASN226D, ASN249H, ASN251H, ASN26D, ASP10D, ASP125H, ASP155H, ASP252H, CYS87D, GLU122H, GLU15D, GLU162H, GLU17D, GLU22D, GLU9D, GLY161H, GLY183H, HIS129H, HIS179H, HIS83D, ILE119H, ILE149H, ILE151H, ILE160H, ILE178H, ILE190H, ILE227D, LEU123H, LEU126H, LEU130H, LEU14D, LEU158H, LEU159H, LEU170H, LEU173H, LEU174H, LEU188H, LEU20D, LEU250H, LEU25D, LEU28D, LEU6D, LYS11D, LYS12D, LYS133H, LYS168H, LYS21D, LYS234D, LYS254H, LYS92D, LYS93D, LYS94D, PHE127H, PHE13D, PHE175H, PHE91D, PRO131H, PRO180H, PRO27D, SER171H, SER7D, SER90D, THR181H, THR248H, TRP177H, TYR132H, TYR165H, TYR167H, TYR172H, TYR182H, TYR229H, VAL16D
• E-F: ALA274F, ALA285F, ALA293E, ALA293F, ALA294E, ALA294F, ARG113F, ARG133F, ARG200E, ARG238E, ARG240E, ARG250F, ARG283F, ARG295E, ARG295F, ASN101F, ASN107F, ASN124F, ASN217E, ASN226E, ASN226F, ASN259E, ASN286F, ASN291F, ASN296E, ASN296F, ASN51F, ASN53F, ASN61F, ASN98F, ASP125F, ASP206F, ASP231E, ASP242E, ASP308E, CYS232E, CYS236E, CYS262E, CYS49F, GLN115F, GLN220E, GLN66F, GLU100F, GLU198E, GLU199E, GLU205E, GLU208E, GLU209F, GLU248F, GLU253F, GLU279F, GLU300E, GLU304E, GLU47F, GLU64F, GLY171E, GLY179F, GLY181F, GLY224E, GLY224F, GLY225E, GLY225F, GLY264E, GLY267E, GLY305E, GLY52F, GLY63F, HIS215E, HIS265E, HIS273F, HIS318F, ILE103F, ILE116F, ILE128F, ILE130F, ILE132F, ILE134F, ILE170E, ILE201E, ILE202E, ILE204E, ILE227E, ILE282F, ILE297E, ILE297F, ILE45F, ILE48F, LEU104F, LEU118F, LEU221E, LEU233E, LEU237E, LEU249F, LEU261E, LEU272F, LEU284F, LEU302E, LEU302F, LEU309E, LEU59F, LYS184F, LYS197E, LYS216E, LYS21E, LYS234E, LYS266E, LYS298E, LYS298F, LYS307E, LYS328E, LYS60F, LYS92E, LYS93E, LYS94F, MET239E, MET287F, PHE212E, PHE222E, PHE222F, PHE223E, PHE223F, PHE299E, PHE299F, PHE306E, PRO102F, PRO120F, PRO135F, PRO241E, PRO67F, SER105F, SER106F, SER119F, SER129F, SER131F, SER136F, SER203E, SER235E, SER251F, SER252F, SER263E, SER288F, SER289F, SER290F, SER292F, SER301E, THR122F, THR127F, THR180F, THR207F, THR219E, THR228E, THR46F, TRP57F, TRP65F, TYR218E, TYR255E, TYR258E, TYR50F, TYR99F, VAL114F, VAL117F, VAL121F, VAL123F, VAL260E, VAL55F, VAL56F, VAL58F
• E-H: ALA169H, ALA222H, ALA230E, ALA254E, ARG166H, ARG250E, ARG86E, ASN101E, ASN176H, ASN226E, ASN249H, ASN251H, ASN291E, ASN98E, ASP206E, ASP224H, ASP231E, ASP252H, ASP256E, ASP97E, CYS232E, GLN219H, GLU100E, GLU162H, GLU253E, GLU253H, GLY161H, GLY164H, GLY224E, GLY225E, GLY225H, HIS83E, ILE103E, ILE227E, ILE246H, ILE96E, LEU104E, LEU170H, LEU173H, LEU174H, LEU233E, LEU250H, LYS163H, LYS168H, LYS221H, LYS234E, LYS254H, LYS92E, LYS93E, LYS94E, MET220H, MET287E, MET82E, PHE222E, PHE223E, PRO102E, PRO120E, PRO223H, SER105E, SER171H, SER229E, SER251E, SER252E, SER290E, SER79E, SER90E, THR228E, THR228H, THR248H, THR95E, TYR165H, TYR172H, TYR229H, TYR255E, TYR255H, TYR99E, VAL257H
• F-H: ASN101F, ASN249H, GLN219H, GLU100F, GLU214H, GLU253H, LYS221H, LYS93F, LYS94F, MET220H, THR211H, THR95F, TYR255H, TYR99F, VAL215H
• G-H: ARG236G, ARG236H, ASN241G, ASN241H, LEU232G, LEU232H, LYS233G, LYS233H, LYS237G, LYS237H, LYS242G, PHE239G, PHE239H, PRO240G, PRO240H, SER245G, SER245H, TYR243G, TYR243H, VAL244G, VAL244H