3S11

crystal structure of h5n1 influenza virus hemagglutinin, strain 437-10

• Total interactions analyzed: 15
• Total true interactions: 15
• Strongest Interaction:
  • Chains: B-E
  • Int. Res.: 31
  • Norm. En. per Res.: -3.8701
• 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	-193.6437	-2.7044	60.1484	-136.1997	210	43	25	26550	5	57	45
A-C	-21.9177	4.5823	-125.144	-142.4794	57	6	1	4816	0	11	12
A-D	-22.1923	-26.9998	-65.2627	-114.4548	32	2	0	2133	1	14	15
A-E	-17.4614	1.982	-123.121	-138.6005	54	3	1	4700	0	11	12
A-F	0.0	1.1678	-52.3327	-51.1649	33	0	0	2571	0	9	11
B-C	-4.9068	-0.1835	-59.9341	-65.0244	35	2	0	2656	0	9	12
B-D	-45.2047	-76.6188	-271.535	-393.3585	129	9	3	11848	7	51	57
B-E	-26.0427	-27.9635	-65.9672	-119.9735	31	2	0	2254	1	15	15
B-F	-32.6735	-52.7681	-259.793	-345.2346	132	11	3	11557	7	46	57
C-D	-219.9585	-27.259	55.0687	-192.1488	203	38	23	26288	5	57	45
C-E	-16.5168	-12.742	-108.686	-137.9448	57	8	0	4537	0	14	13
C-F	-33.8954	-26.5963	-57.6529	-118.1446	36	3	0	2199	1	15	16
D-E	0.0	2.4016	-67.1043	-64.7027	35	4	0	2820	0	9	12
D-F	-48.1894	-77.4301	-267.3	-392.9195	136	7	3	11928	6	51	61
E-F	-230.9546	-13.1955	36.2963	-207.8538	210	39	23	26778	5	58	45

Interface residues

• A-B: ALA130B, ALA19A, ALA266A, ALA317A, ALA35B, ALA36B, ALA39A, ALA44B, ALA5B, ALA65B, ALA7B, ALA91A, ALA96B, ARG106B, ARG114A, ARG123B, ARG313A, ARG321A, ARG68B, ASN103A, ASN104A, ASN104B, ASN114B, ASN117B, ASN135B, ASN146B, ASN169B, ASN19A, ASN20A, ASN28B, ASN296A, ASN312A, ASN322A, ASN34A, ASN53B, ASN60B, ASN71B, ASN72B, ASN81B, ASN95B, ASP109B, ASP112B, ASP11A, ASP120B, ASP145B, ASP19B, ASP26A, ASP37B, ASP41A, ASP57B, ASP86B, ASP90B, CYS137B, CYS144B, CYS148B, CYS14A, CYS305A, GLN125B, GLN12A, GLN15B, GLN24A, GLN30B, GLN40A, GLN62B, GLU103B, GLU105B, GLU106A, GLU107A, GLU11B, GLU139B, GLU150B, GLU29B, GLU32A, GLU64B, GLU69B, GLU74B, GLU78B, GLU85B, GLU89A, GLU97B, GLY10A, GLY12B, GLY136B, GLY13B, GLY16A, GLY16B, GLY1B, GLY20B, GLY23B, GLY303A, GLY319A, GLY31B, GLY33B, GLY67B, GLY87B, GLY8B, HIS110A, HIS111B, HIS142B, HIS18A, HIS25B, HIS26B, HIS295A, HIS298A, HIS38A, ILE10B, ILE13A, ILE15A, ILE267A, ILE28A, ILE302A, ILE42A, ILE45B, ILE55B, ILE56B, ILE6B, LEU101B, LEU108B, LEU118B, LEU126B, LEU133B, LEU2B, LEU300A, LEU314A, LEU316A, LEU320A, LEU43A, LEU89B, LEU98B, LEU99B, LYS109A, LYS116B, LYS121B, LYS131B, LYS143B, LYS153B, LYS269A, LYS307A, LYS310A, LYS33A, LYS51B, LYS58B, LYS82B, LYS90A, MET102B, MET149B, MET17B, MET268A, MET292A, MET31A, MET59B, PHE102A, PHE110B, PHE138B, PHE140B, PHE294A, PHE63B, PHE70B, PHE88B, PHE9B, PRO293A, PRO299A, PRO306A, PRO9A, SER113A, SER151B, SER21A, SER265A, SER27B, SER291A, SER311A, SER32B, THR107B, THR27A, THR301A, THR318A, THR323A, THR35A, THR37A, THR41B, THR49B, THR61B, THR93B, TRP14B, TRP21B, TRP92B, TYR105A, TYR119B, TYR141B, TYR17A, TYR22B, TYR24B, TYR308A, TYR34B, TYR94B, VAL100B, VAL115B, VAL122B, VAL152B, VAL18B, VAL25A, VAL309A, VAL315A, VAL35A, VAL36A, VAL48B, VAL52B, VAL66A, VAL66B, VAL91B
• A-C: ALA188C, ALA218C, ALA242A, ARG166A, ARG212A, ARG220C, ARG229C, ASN169A, ASN186C, ASN210A, ASN224C, ASN240A, ASN244A, ASP101C, ASP187C, ASP241A, GLN191C, GLN211A, GLN226C, GLU216C, GLU231C, GLU246A, GLY100C, GLY205A, GLY228C, HIS183C, HIS184C, ILE182C, ILE202A, ILE217C, ILE243A, LEU209A, LEU213A, LEU237A, LYS165A, LYS222C, MET230C, PHE245A, PRO185C, PRO215C, PRO221C, PRO99C, SER167A, SER203A, SER207A, SER227C, THR199A, THR199C, THR206A, THR208A, THR219C, TYR168A, TYR201A, VAL204A, VAL214A, VAL214C, VAL223C
• A-D: ARG114A, ARG75D, ARG76D, ASN103A, ASN104A, ASN71D, ASN72D, ASN79D, GLN211A, GLU106A, GLU107A, GLU74D, GLU78D, HIS110A, ILE236A, ILE77D, LEU108A, LEU111A, LEU209A, LEU73D, LEU80D, LYS109A, LYS238A, LYS82D, LYS83D, PHE294A, SER113A, THR208A, THR235A, TRP234A, TYR105A, TYR94D
• A-E: ALA188A, ALA218A, ALA242E, ARG166E, ARG212E, ARG220A, ARG229A, ASN169E, ASN186A, ASN210E, ASN224A, ASN240E, ASN244E, ASP101A, ASP187A, ASP241E, GLN211E, GLN226A, GLU216A, GLU231A, GLU246E, GLY100A, GLY205E, GLY228A, HIS183A, HIS184A, ILE182A, ILE202E, ILE217A, ILE243E, LEU209E, LEU213E, LEU237E, LYS165E, LYS222A, MET230A, PHE245E, PRO185A, PRO215A, PRO221A, PRO99A, SER167E, SER203E, SER207E, SER227A, THR206E, THR208E, THR219A, TYR168E, TYR201E, VAL204E, VAL214A, VAL214E, VAL223A
• A-F: ALA44F, ARG106F, ARG313A, ARG321A, ASN114F, ASN50F, ASN53F, ASP26A, ASP46F, ASP57F, GLU103F, GLU32A, GLY47F, ILE28A, ILE55F, LEU314A, LEU99F, LYS310A, LYS33A, LYS43F, LYS51F, LYS58F, MET31A, PHE110F, SER113F, SER311A, SER54F, THR107F, THR27A, THR49F, THR61F, VAL48F, VAL52F
• B-C: ALA44B, ARG106B, ARG313C, ARG321C, ASN114B, ASN50B, ASN53B, ASP26C, ASP46B, ASP57B, GLU103B, GLU32C, GLY47B, HIS111B, ILE28C, ILE55B, LEU314C, LEU99B, LYS310C, LYS33C, LYS43B, LYS51B, LYS58B, MET102B, MET31C, PHE110B, SER113B, SER311C, SER54B, THR107B, THR27C, THR49B, THR61B, VAL48B, VAL52B
• B-D: ALA5D, ALA65B, ALA7D, ALA96B, ALA96D, ARG106B, ARG106D, ARG123B, ARG123D, ARG127B, ARG167B, ARG68B, ARG75D, ARG76B, ARG76D, ASN104D, ASN114B, ASN117B, ASN135D, ASN60B, ASN71B, ASN79B, ASN79D, ASN81B, ASN81D, ASN95B, ASN95D, ASP109B, ASP109D, ASP112B, ASP112D, ASP120B, ASP120D, ASP128B, ASP57B, ASP86D, ASP90D, CYS137D, GLN125B, GLN62B, GLU103B, GLU103D, GLU105B, GLU105D, GLU132D, GLU139D, GLU172D, GLU64B, GLU69B, GLU74B, GLU78B, GLU78D, GLU85B, GLU85D, GLU97D, GLY134D, GLY136D, GLY1D, GLY47B, GLY4D, GLY67B, GLY87B, GLY87D, GLY8D, HIS111B, ILE10D, ILE55B, ILE56B, ILE6D, ILE77B, ILE77D, LEU101D, LEU108B, LEU108D, LEU124B, LEU133D, LEU2B, LEU2D, LEU80B, LEU80D, LEU89D, LEU98B, LEU98D, LEU99B, LEU99D, LYS116B, LYS116D, LYS121B, LYS131D, LYS43B, LYS51B, LYS58B, LYS82B, LYS82D, LYS83B, LYS83D, MET102B, MET102D, MET59B, MET84B, MET84D, PHE110B, PHE110D, PHE3B, PHE3D, PHE63B, PHE63D, PHE70B, PHE88B, PHE88D, PHE9D, SER113B, SER113D, SER54B, THR107B, THR107D, THR61B, THR93D, TRP92B, TRP92D, TYR119D, TYR141D, TYR159B, TYR94B, TYR94D, VAL100B, VAL66B, VAL91B, VAL91D
• B-E: ARG114E, ARG75B, ARG76B, ASN103E, ASN104E, ASN71B, ASN72B, ASN79B, GLU106E, GLU107E, GLU74B, GLU78B, HIS110E, ILE236E, ILE77B, LEU108E, LEU111E, LEU209E, LEU73B, LEU80B, LYS109E, LYS238E, LYS263E, LYS83B, PHE294E, SER113E, THR208E, THR235E, TRP234E, TYR105E, TYR94B
• B-F: ALA5B, ALA65F, ALA7B, ALA96B, ALA96F, ARG106B, ARG106F, ARG123B, ARG123F, ARG127F, ARG170B, ARG170F, ARG68F, ARG75B, ARG76B, ARG76F, ASN104B, ASN114F, ASN117F, ASN129F, ASN135B, ASN60F, ASN71F, ASN79B, ASN79F, ASN81B, ASN81F, ASN95B, ASN95F, ASP109B, ASP109F, ASP112B, ASP112F, ASP120B, ASP120F, ASP128F, ASP57F, ASP86B, ASP90B, CYS137B, GLN125F, GLN62F, GLU103B, GLU103F, GLU105B, GLU132B, GLU139B, GLU171F, GLU64F, GLU69F, GLU74B, GLU74F, GLU78B, GLU78F, GLU85B, GLU85F, GLU97B, GLU97F, GLY134B, GLY136B, GLY1B, GLY4B, GLY67F, GLY87B, GLY87F, GLY8B, HIS111F, ILE10B, ILE55F, ILE77B, ILE77F, LEU101B, LEU108B, LEU124F, LEU126F, LEU133B, LEU2B, LEU2F, LEU80B, LEU80F, LEU89B, LEU98B, LEU98F, LEU99B, LEU99F, LYS116B, LYS116F, LYS121F, LYS131B, LYS43F, LYS51F, LYS58F, LYS82B, LYS82F, LYS83B, MET102B, MET102F, MET59F, MET84B, MET84F, PHE110B, PHE110F, PHE138B, PHE3B, PHE3F, PHE63B, PHE63F, PHE70F, PHE88B, PHE88F, PHE9B, PRO160F, SER113B, SER113F, SER163F, SER54F, THR107B, THR107F, THR61F, THR93B, TRP92B, TRP92F, TYR119B, TYR141B, TYR159F, TYR94B, TYR94F, VAL100B, VAL100F, VAL66F, VAL91B, VAL91F
• C-D: ALA130D, ALA19C, ALA266C, ALA317C, ALA35D, ALA36D, ALA39C, ALA44D, ALA5D, ALA65D, ALA7D, ALA91C, ALA96D, ARG106D, ARG114C, ARG123D, ARG313C, ARG321C, ARG68D, ASN103C, ASN104C, ASN104D, ASN114D, ASN117D, ASN135D, ASN19C, ASN20C, ASN28D, ASN296C, ASN312C, ASN322C, ASN34C, ASN53D, ASN60D, ASN71D, ASN72D, ASN81D, ASN95D, ASP101C, ASP109D, ASP112D, ASP11C, ASP120D, ASP145D, ASP19D, ASP26C, ASP37D, ASP41C, ASP57D, ASP86D, ASP90D, CYS137D, CYS144D, CYS148D, CYS14C, CYS305C, GLN125D, GLN12C, GLN15D, GLN24C, GLN30D, GLN40C, GLN62D, GLU103D, GLU105D, GLU106C, GLU107C, GLU11D, GLU139D, GLU150D, GLU29D, GLU32C, GLU64D, GLU69D, GLU74D, GLU78D, GLU85D, GLU89C, GLU97D, GLY10C, GLY12D, GLY136D, GLY13D, GLY16C, GLY16D, GLY1D, GLY20D, GLY23D, GLY303C, GLY319C, GLY33D, GLY67D, GLY8D, HIS110C, HIS111D, HIS142D, HIS18C, HIS25D, HIS26D, HIS295C, HIS298C, HIS38C, ILE10D, ILE13C, ILE15C, ILE267C, ILE28C, ILE302C, ILE42C, ILE45D, ILE55D, ILE56D, ILE6D, LEU101D, LEU108D, LEU118D, LEU126D, LEU133D, LEU2D, LEU300C, LEU314C, LEU316C, LEU320C, LEU43C, LEU89D, LEU98D, LEU99D, LYS109C, LYS116D, LYS121D, LYS131D, LYS143D, LYS153D, LYS269C, LYS307C, LYS310C, LYS33C, LYS51D, LYS58D, MET102D, MET149D, MET17D, MET268C, MET292C, MET31C, MET59D, PHE102C, PHE110D, PHE138D, PHE140D, PHE294C, PHE63D, PHE70D, PHE9D, PRO293C, PRO299C, PRO306C, SER113C, SER21C, SER265C, SER27D, SER291C, SER311C, SER32D, SER54D, THR107D, THR27C, THR301C, THR318C, THR323C, THR35C, THR37C, THR41D, THR49D, THR61D, THR93D, TRP14D, TRP21D, TRP92D, TYR105C, TYR119D, TYR141D, TYR17C, TYR22D, TYR24D, TYR308C, TYR34D, TYR94D, VAL100D, VAL115D, VAL122D, VAL152D, VAL18D, VAL25C, VAL309C, VAL315C, VAL35C, VAL36C, VAL48D, VAL52D, VAL66C, VAL66D, VAL91D
• C-E: ALA188E, ALA189E, ALA218E, ALA242C, ARG166C, ARG212C, ARG220E, ARG229E, ASN169C, ASN186E, ASN210C, ASN224E, ASN240C, ASN244C, ASP101E, ASP187E, ASP241C, GLN211C, GLN226E, GLU216E, GLU231E, GLU246C, GLY100E, GLY205C, GLY228E, HIS184E, ILE182E, ILE202C, ILE217E, ILE243C, LEU209C, LEU213C, LEU237C, LEU96E, LYS165C, LYS222E, MET230E, PHE245C, PRO185E, PRO215E, PRO221E, PRO99E, SER167C, SER203C, SER207C, SER227E, SER247C, THR163C, THR206C, THR208C, THR219E, TYR168C, TYR201C, VAL204C, VAL214C, VAL214E, VAL223E
• C-F: ARG114C, ARG75F, ARG76F, ASN103C, ASN104C, ASN210C, ASN71F, ASN72F, ASN79F, ASP264C, GLN211C, GLU106C, GLU107C, GLU74F, GLU78F, HIS110C, ILE236C, ILE28C, ILE77F, LEU108C, LEU111C, LEU209C, LEU73F, LEU80F, LYS109C, LYS238C, LYS83F, MET102F, PHE294C, PHE70F, SER113C, THR208C, THR235C, TRP234C, TYR105C, TYR94F
• D-E: ALA44D, ARG106D, ARG313E, ARG321E, ASN114D, ASN50D, ASN53D, ASP26E, ASP46D, ASP57D, GLU103D, GLU32E, GLY47D, HIS111D, ILE28E, ILE45D, ILE55D, LEU314E, LEU99D, LYS310E, LYS33E, LYS43D, LYS51D, LYS58D, MET31E, PHE110D, SER311E, SER54D, THR107D, THR27E, THR49D, THR61D, TRP21D, VAL48D, VAL52D
• D-F: ALA5F, ALA65D, ALA7F, ALA96D, ARG106D, ARG106F, ARG123D, ARG123F, ARG127D, ARG167D, ARG167F, ARG170D, ARG170F, ARG68D, ARG75F, ARG76D, ARG76F, ASN104F, ASN114D, ASN117D, ASN135F, ASN169F, ASN60D, ASN71D, ASN79D, ASN79F, ASN81D, ASN81F, ASN95D, ASN95F, ASP109D, ASP109F, ASP112D, ASP112F, ASP120D, ASP120F, ASP128D, ASP57D, ASP86F, ASP90F, CYS137F, GLN125D, GLN62D, GLU103D, GLU103F, GLU105F, GLU132F, GLU139F, GLU164D, GLU171D, GLU171F, GLU172F, GLU64D, GLU69D, GLU74D, GLU78D, GLU78F, GLU85D, GLU85F, GLU97F, GLY134F, GLY136F, GLY1F, GLY4F, GLY67D, GLY87D, GLY87F, GLY8F, HIS111D, ILE10F, ILE173F, ILE55D, ILE6F, ILE77D, ILE77F, LEU101F, LEU108F, LEU124D, LEU126D, LEU133F, LEU168F, LEU2D, LEU2F, LEU80D, LEU80F, LEU89F, LEU98D, LEU98F, LEU99D, LEU99F, LYS116D, LYS116F, LYS121D, LYS131F, LYS43D, LYS51D, LYS58D, LYS82D, LYS82F, LYS83D, LYS83F, MET102D, MET102F, MET59D, MET84D, MET84F, PHE110D, PHE110F, PHE3D, PHE3F, PHE63D, PHE63F, PHE70D, PHE88D, PHE88F, PHE9F, PRO160D, SER113D, SER113F, SER54D, THR107D, THR107F, THR61D, THR93F, TRP92D, TRP92F, TYR119F, TYR141F, TYR159D, TYR94D, TYR94F, VAL100D, VAL100F, VAL66D, VAL91D, VAL91F
• E-F: ALA130F, ALA19E, ALA266E, ALA317E, ALA35F, ALA36F, ALA39E, ALA44F, ALA5F, ALA65F, ALA7F, ALA91E, ALA96F, ARG106F, ARG114E, ARG123F, ARG313E, ARG321E, ARG68F, ASN103E, ASN104E, ASN104F, ASN114F, ASN117F, ASN135F, ASN154F, ASN169F, ASN19E, ASN20E, ASN28F, ASN296E, ASN312E, ASN322E, ASN34E, ASN53F, ASN60F, ASN71F, ASN72F, ASN81F, ASN95F, ASP109F, ASP112F, ASP11E, ASP120F, ASP145F, ASP19F, ASP26E, ASP37F, ASP41E, ASP57F, ASP86F, ASP90F, CYS137F, CYS144F, CYS148F, CYS14E, CYS305E, GLN125F, GLN12E, GLN15F, GLN24E, GLN30F, GLN40E, GLN62F, GLU103F, GLU105F, GLU106E, GLU107E, GLU11F, GLU139F, GLU150F, GLU29F, GLU32E, GLU64F, GLU69F, GLU74F, GLU85F, GLU89E, GLU97F, GLY10E, GLY12F, GLY136F, GLY13F, GLY16E, GLY16F, GLY1F, GLY20F, GLY23F, GLY303E, GLY319E, GLY33F, GLY67F, GLY87F, GLY8F, HIS110E, HIS111F, HIS142F, HIS18E, HIS25F, HIS26F, HIS295E, HIS298E, HIS38E, ILE10F, ILE13E, ILE15E, ILE173F, ILE267E, ILE28E, ILE302E, ILE42E, ILE45F, ILE55F, ILE56F, ILE6F, LEU101F, LEU108F, LEU118F, LEU126F, LEU133F, LEU2F, LEU300E, LEU314E, LEU316E, LEU320E, LEU43E, LEU73F, LEU89F, LEU98F, LEU99F, LYS109E, LYS116F, LYS121F, LYS131F, LYS143F, LYS153F, LYS269E, LYS307E, LYS310E, LYS33E, LYS51F, LYS58F, LYS82F, LYS90E, MET102F, MET149F, MET17F, MET268E, MET292E, MET31E, MET59F, PHE102E, PHE110F, PHE138F, PHE140F, PHE294E, PHE63F, PHE70F, PHE88F, PHE9F, PRO293E, PRO299E, PRO306E, PRO9E, SER113E, SER151F, SER21E, SER265E, SER27F, SER291E, SER311E, SER32F, THR107F, THR27E, THR301E, THR318E, THR323E, THR35E, THR37E, THR41F, THR49F, THR61F, THR93F, TRP14F, TRP21F, TRP92F, TYR105E, TYR119F, TYR141F, TYR17E, TYR22F, TYR24F, TYR308E, TYR34F, TYR94F, VAL100F, VAL115F, VAL122F, VAL152F, VAL18F, VAL25E, VAL309E, VAL315E, VAL35E, VAL36E, VAL48F, VAL52F, VAL66E, VAL66F, VAL91F