3QQO

crystal structure of ha2 r106h mutant of h2 hemagglutinin, acidic ph form

• Total interactions analyzed: 15
• Total true interactions: 15
• Strongest Interaction:
  • Chains: D-E
  • Int. Res.: 49
  • Norm. En. per Res.: -2.9944
• 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	-195.7581	9.2684	-47.653	-234.1428	220	59	30	31008	3	62	48
A-C	-15.4106	-14.3042	-107.314	-137.0288	56	1	0	4330	0	15	15
A-D	-5.411	-2.9043	-80.1577	-88.473	42	2	0	3484	2	11	13
A-E	-9.6148	-7.5312	-79.0183	-96.1643	49	3	0	3594	0	14	13
A-F	-23.0068	-40.3216	-73.9647	-137.2931	49	2	0	2681	2	17	18
B-C	-21.3812	-41.8546	-73.4268	-136.6626	47	3	0	2743	1	16	19
B-D	-36.5115	-57.5592	-295.971	-390.0417	137	7	3	12496	6	63	64
B-E	-4.7347	-3.1033	-84.5217	-92.3598	41	5	0	3464	1	11	12
B-F	-23.7865	-65.4749	-284.04	-373.3014	141	22	1	12802	10	61	64
C-D	-218.0137	18.7711	-31.7174	-230.96	222	55	29	31126	4	61	49
C-E	-26.9387	-1.3043	-128.457	-156.7	55	12	1	5161	0	18	17
C-F	-3.7148	-3.0185	-80.4477	-87.1809	41	7	0	3360	2	11	12
D-E	-35.46	-34.359	-76.9067	-146.7257	49	6	0	2711	2	16	20
D-F	-7.3355	-62.0384	-297.184	-366.5579	133	9	1	12444	3	59	63
E-F	-167.7045	12.1343	167.695	12.1247	222	80	30	30564	1	64	47

Interface residues

• A-B: ALA19A, ALA317A, ALA35B, ALA36B, ALA39A, ALA44B, ALA5B, ALA65B, ALA7B, ALA96B, ARG123B, ARG263A, ARG321A, ARG32A, ASN104B, ASN114B, ASN117B, ASN135B, ASN150B, ASN169B, ASN20A, ASN21A, ASN28B, ASN296A, ASN322A, ASN33A, ASN53B, ASN54A, ASN60B, ASN72B, ASN81B, ASN95B, ASP104A, ASP109B, ASP112B, ASP11A, ASP120B, ASP145B, ASP19B, ASP27A, ASP29B, ASP37B, ASP41A, ASP86B, ASP90B, CYS137B, CYS144B, CYS148B, CYS14A, CYS281A, CYS305A, GLN12A, GLN15B, GLN282A, GLN30B, GLN62B, GLU103B, GLU105B, GLU106A, GLU107A, GLU11B, GLU139B, GLU304A, GLU312A, GLU31A, GLU57B, GLU64B, GLU69B, GLU74B, GLU85B, GLU91A, GLU97B, GLY10A, GLY12B, GLY136B, GLY13B, GLY16A, GLY16B, GLY1B, GLY20B, GLY23B, GLY263A, GLY266A, GLY303A, GLY319A, GLY33B, GLY4B, GLY67B, GLY8B, HIS106B, HIS110A, HIS111B, HIS142B, HIS18A, HIS1B, HIS25B, HIS26B, HIS295A, HIS298A, HIS38A, ILE10B, ILE13A, ILE15A, ILE267A, ILE29A, ILE302A, ILE42A, ILE48B, ILE56B, ILE6B, LEU101B, LEU108B, LEU111A, LEU118B, LEU126B, LEU133B, LEU292A, LEU2B, LEU300A, LEU30A, LEU314A, LEU316A, LEU320A, LEU43A, LEU53A, LEU73B, LEU89B, LEU98B, LEU99B, LYS109A, LYS116B, LYS121B, LYS131B, LYS143B, LYS153B, LYS25A, LYS269A, LYS280A, LYS307A, LYS310A, LYS313A, LYS40A, LYS51B, LYS58B, LYS68B, MET102B, MET149B, MET17B, MET268A, MET59B, PHE110B, PHE138B, PHE140B, PHE294A, PHE45B, PHE63B, PHE70B, PHE88B, PHE9B, PRO284A, PRO293A, PRO299A, PRO306A, PRO324A, PRO9A, SER113A, SER114A, SER151B, SER22A, SER264A, SER265A, SER27B, SER311A, SER54B, SER71B, SER85A, THR107B, THR279A, THR283A, THR28A, THR290A, THR291A, THR301A, THR318A, THR35A, THR37A, THR41B, THR49B, THR61B, THR93B, TRP14B, TRP21B, TRP92B, TYR105A, TYR119B, TYR141B, TYR157B, TYR17A, TYR22B, TYR24B, TYR308A, TYR34B, TYR86A, TYR94B, VAL100B, VAL115B, VAL122B, VAL130B, VAL152B, VAL18B, VAL26A, VAL309A, VAL315A, VAL323A, VAL34A, VAL36A, VAL52B, VAL55B, VAL66B, VAL91B
• A-C: ALA218A, ARG212C, ARG220A, ARG229A, ASN169C, ASN186A, ASN210C, ASN224A, ASN244C, ASP187A, ASP241C, GLN226A, GLU188A, GLU216A, GLU231A, GLU246C, GLY100A, GLY166C, GLY205C, GLY227A, HIS183A, HIS184A, ILE217A, ILE243C, LEU209C, LEU237C, LEU96A, LYS165C, LYS211C, LYS222A, MET230A, PHE245C, PRO185A, PRO215A, PRO221A, PRO99A, SER101A, SER167C, SER203C, SER207C, SER213C, SER247C, THR206C, THR208C, THR214A, THR214C, THR219A, THR242C, TRP240C, TYR168C, TYR201C, VAL163C, VAL182A, VAL202C, VAL204C, VAL223A
• A-D: ALA44D, ARG127D, ARG321A, ARG32A, ASN114D, ASN33A, ASN50D, ASN53D, ASN60D, ASP27A, ASP46D, GLN12A, GLN62D, GLU103D, GLU312A, GLU31A, GLU57D, GLY47D, HIS106D, HIS111D, ILE29A, ILE48D, ILE56D, LEU30A, LEU314A, LEU99D, LYS310A, LYS313A, LYS43D, LYS51D, LYS58D, MET59D, PHE110D, SER311A, SER54D, THR107D, THR28A, THR49D, THR61D, TYR308A, VAL52D, VAL55D
• A-E: ALA218E, ARG212A, ARG220E, ARG229E, ASN169A, ASN186E, ASN210A, ASN244A, ASP241A, GLU216E, GLU231E, GLU246A, GLY100E, GLY205A, GLY227E, GLY228E, HIS183E, HIS184E, ILE217E, ILE243A, ILE29E, LEU209A, LEU237A, LEU316A, LYS165A, LYS211A, LYS222E, MET230E, PHE245A, PRO185E, PRO215E, PRO221E, PRO99E, SER101E, SER167A, SER203A, SER207A, SER213A, THR206A, THR208A, THR214A, THR214E, THR219E, THR242A, TRP240A, TYR201A, VAL202A, VAL204A, VAL223E
• A-F: ARG75F, ARG76F, ASN103A, ASN72F, ASN79F, ASP104A, ASP86F, ASP90F, CYS305A, GLU106A, GLU107A, GLU74F, GLU78F, GLY263A, GLY266A, GLY87F, HIS110A, HIS1F, ILE42A, LEU108A, LEU111A, LEU209A, LEU236A, LEU316A, LEU73F, LEU77F, LEU80F, LEU89F, LEU98F, LYS109A, LYS211A, LYS262A, LYS307A, LYS82F, LYS83F, PHE294A, PHE88F, PRO293A, SER113A, SER264A, SER265A, SER71F, THR208A, THR235A, THR301A, TRP234A, TYR105A, TYR94F, VAL91F
• B-C: ARG75B, ARG76B, ASN103C, ASN72B, ASN79B, ASP104C, ASP238C, ASP86B, ASP90B, GLU106C, GLU107C, GLU74B, GLU78B, GLY263C, GLY267C, GLY87B, HIS110C, ILE42C, LEU108C, LEU111C, LEU209C, LEU236C, LEU317C, LEU73B, LEU77B, LEU80B, LEU89B, LEU98B, LYS109C, LYS211C, LYS262C, LYS308C, LYS82B, LYS83B, PHE295C, PRO294C, SER265C, SER266C, SER71B, THR208C, THR235C, THR302C, THR93B, TRP234C, TYR105C, TYR94B, VAL91B
• B-D: ALA5B, ALA65D, ALA7B, ALA96B, ALA96D, ARG123B, ARG123D, ARG127D, ARG170B, ARG170D, ARG75B, ARG76B, ARG76D, ASN104D, ASN114D, ASN117D, ASN135B, ASN169B, ASN171B, ASN171D, ASN50D, ASN53D, ASN60D, ASN79B, ASN79D, ASN81B, ASN81D, ASN95B, ASN95D, ASP109B, ASP109D, ASP112B, ASP112D, ASP120B, ASP120D, ASP128D, ASP86B, ASP90B, CYS137B, GLN125D, GLN62D, GLU103D, GLU105B, GLU132B, GLU139B, GLU163D, GLU164D, GLU172B, GLU57D, GLU64D, GLU69D, GLU74B, GLU74D, GLU78D, GLU85B, GLU85D, GLU97B, GLY134B, GLY136B, GLY1B, GLY47D, GLY4B, GLY67D, GLY87B, GLY87D, GLY8B, HIS106B, HIS106D, HIS111D, ILE10B, ILE56D, ILE6B, LEU101B, LEU101D, LEU108D, LEU126D, LEU133B, LEU2B, LEU2D, LEU77B, LEU77D, LEU80B, LEU80D, LEU89B, LEU98B, LEU98D, LEU99B, LEU99D, LYS116B, LYS116D, LYS121D, LYS131B, LYS167D, LYS43D, LYS51D, LYS58D, LYS68D, LYS82B, LYS82D, LYS83B, MET102B, MET102D, MET124D, MET59D, MET84B, MET84D, PHE110D, PHE138B, PHE3B, PHE3D, PHE63D, PHE70B, PHE70D, PHE88B, PHE88D, PHE9B, PRO160D, SER113B, SER113D, SER54D, SER71D, THR107D, THR61D, THR93B, TRP92B, TRP92D, TYR119B, TYR141B, TYR159D, TYR94B, VAL100B, VAL100D, VAL130B, VAL55D, VAL66D, VAL91B, VAL91D
• B-E: ALA44B, ARG321E, ARG32E, ASN114B, ASN33E, ASN50B, ASN53B, ASN60B, ASP27E, ASP46B, GLN62B, GLU103B, GLU312E, GLU31E, GLU57B, GLY47B, HIS106B, HIS111B, HIS1B, ILE29E, ILE48B, ILE56B, LEU30E, LEU314E, LEU99B, LYS310E, LYS313E, LYS43B, LYS51B, LYS58B, PHE110B, SER311E, SER54B, THR107B, THR28E, THR49B, VAL309E, VAL315E, VAL34E, VAL52B, VAL55B
• B-F: ALA5F, ALA65B, ALA7F, ALA96B, ALA96F, ARG123B, ARG123F, ARG127B, ARG170B, ARG170F, ARG75F, ARG76B, ARG76F, ASN104B, ASN114B, ASN117B, ASN135F, ASN169F, ASN171B, ASN171F, ASN50B, ASN53B, ASN60B, ASN79B, ASN79F, ASN81B, ASN81F, ASN95B, ASN95F, ASP109B, ASP109F, ASP112B, ASP112F, ASP120B, ASP120F, ASP128B, ASP86F, ASP90F, CYS137F, GLN125B, GLN62B, GLU103B, GLU105F, GLU132F, GLU139F, GLU163B, GLU164B, GLU172F, GLU57B, GLU64B, GLU69B, GLU74B, GLU74F, GLU78B, GLU85B, GLU85F, GLU97F, GLY134F, GLY136F, GLY1F, GLY47B, GLY4F, GLY67B, GLY87B, GLY87F, GLY8F, HIS106B, HIS106F, HIS111B, HIS1B, HIS1F, ILE10F, ILE48B, ILE56B, ILE6F, LEU101F, LEU108B, LEU118B, LEU133F, LEU2B, LEU2F, LEU77B, LEU77F, LEU80B, LEU80F, LEU89F, LEU98B, LEU98F, LEU99B, LEU99F, LYS116B, LYS116F, LYS121B, LYS131F, LYS167B, LYS43B, LYS51B, LYS58B, LYS68B, LYS82B, LYS82F, LYS83B, LYS83F, MET102B, MET102F, MET124B, MET59B, MET84B, MET84F, PHE110B, PHE138F, PHE3B, PHE3F, PHE63B, PHE70B, PHE70F, PHE88B, PHE88F, PHE9F, PRO160B, SER113B, SER113F, SER54B, SER71B, THR107B, THR61B, THR93F, TRP92B, TRP92F, TYR119F, TYR141F, TYR159B, TYR94F, VAL100B, VAL100F, VAL130F, VAL52B, VAL55B, VAL66B, VAL91B, VAL91F
• C-D: ALA19C, ALA318C, ALA35D, ALA36D, ALA39C, ALA44D, ALA5D, ALA65D, ALA7D, ALA96D, ARG123D, ARG263C, ARG322C, ARG32C, ASN104D, ASN114D, ASN117D, ASN135D, ASN150D, ASN20C, ASN21C, ASN28D, ASN297C, ASN323C, ASN53D, ASN54C, ASN60D, ASN72D, ASN81D, ASN92C, ASN95D, ASP104C, ASP109D, ASP112D, ASP11C, ASP120D, ASP145D, ASP19D, ASP27C, ASP29D, ASP37D, ASP41C, ASP86D, ASP90D, CYS137D, CYS144D, CYS148D, CYS14C, CYS282C, CYS306C, GLN12C, GLN15D, GLN283C, GLN30D, GLN62D, GLU103D, GLU105D, GLU106C, GLU107C, GLU11D, GLU139D, GLU305C, GLU313C, GLU31C, GLU57D, GLU64D, GLU69D, GLU74D, GLU85D, GLU91C, GLU97D, GLY10C, GLY12D, GLY136D, GLY13D, GLY16C, GLY16D, GLY1D, GLY20D, GLY23D, GLY263C, GLY267C, GLY304C, GLY31D, GLY320C, GLY33D, GLY4D, GLY67D, GLY8D, HIS106D, HIS110C, HIS111D, HIS142D, HIS18C, HIS25D, HIS26D, HIS296C, HIS299C, HIS38C, ILE10D, ILE13C, ILE15C, ILE268C, ILE29C, ILE303C, ILE42C, ILE48D, ILE56D, ILE66C, ILE6D, ILE87C, LEU101D, LEU108C, LEU108D, LEU111C, LEU112C, LEU118D, LEU126D, LEU133D, LEU293C, LEU2D, LEU301C, LEU30C, LEU315C, LEU317C, LEU321C, LEU43C, LEU53C, LEU73D, LEU89D, LEU98D, LEU99D, LYS109C, LYS116D, LYS121D, LYS131D, LYS143D, LYS153D, LYS25C, LYS270C, LYS281C, LYS308C, LYS311C, LYS314C, LYS40C, LYS51D, LYS58D, LYS68D, LYS90C, MET102D, MET149D, MET17D, MET269C, MET59D, PHE102C, PHE110D, PHE138D, PHE140D, PHE295C, PHE45D, PHE63D, PHE70D, PHE88D, PHE9D, PRO285C, PRO294C, PRO300C, PRO307C, PRO325C, PRO9C, SER113C, SER114C, SER22C, SER265C, SER266C, SER27D, SER312C, SER32D, SER54D, SER71D, SER85C, THR107D, THR28C, THR291C, THR292C, THR302C, THR319C, THR35C, THR37C, THR41D, THR49D, THR61D, THR93D, TRP14D, TRP21D, TRP92D, TYR105C, TYR119D, TYR141D, TYR17C, TYR22D, TYR24D, TYR309C, TYR34D, TYR86C, TYR94D, VAL100D, VAL115D, VAL122D, VAL130D, VAL152D, VAL18D, VAL26C, VAL310C, VAL316C, VAL324C, VAL34C, VAL36C, VAL52D, VAL55D, VAL66D, VAL91D
• C-E: ALA218C, ARG212E, ARG220C, ARG229C, ASN169E, ASN186C, ASN210E, ASN224C, ASN244E, ASP187C, ASP241E, GLN226C, GLU188C, GLU216C, GLU231C, GLU246E, GLY100C, GLY166E, GLY205E, GLY227C, GLY228C, HIS183C, HIS184C, ILE217C, ILE243E, LEU209E, LEU237E, LYS165E, LYS211E, LYS222C, MET230C, PHE245E, PRO185C, PRO215C, PRO221C, PRO99C, SER101C, SER167E, SER203E, SER207E, SER213E, THR206E, THR208E, THR214C, THR214E, THR219C, THR242E, TRP240E, TYR168E, TYR201E, VAL182C, VAL198C, VAL202E, VAL204E, VAL223C
• C-F: ALA44F, ARG322C, ARG32C, ASN114F, ASN50F, ASN53F, ASN60F, ASP27C, ASP46F, GLN62F, GLU103F, GLU313C, GLU31C, GLU57F, GLY47F, HIS106F, HIS111F, ILE29C, ILE48F, ILE56F, LEU30C, LEU315C, LEU99F, LYS311C, LYS314C, LYS43F, LYS51F, LYS58F, MET102F, PHE110F, PHE45F, SER312C, SER54F, THR107F, THR28C, THR49F, TYR309C, VAL310C, VAL316C, VAL52F, VAL55F
• D-E: ARG75D, ARG76D, ASN103E, ASN72D, ASN79D, ASP104E, ASP238E, ASP86D, ASP90D, CYS305E, GLN175E, GLU106E, GLU107E, GLU74D, GLU78D, GLY263E, GLY266E, GLY87D, HIS110E, ILE42E, LEU108E, LEU111E, LEU209E, LEU236E, LEU316E, LEU73D, LEU77D, LEU80D, LEU89D, LEU98D, LYS109E, LYS211E, LYS262E, LYS307E, LYS82D, LYS83D, PHE294E, PHE88D, PRO293E, SER264E, SER265E, SER71D, THR208E, THR235E, THR301E, TRP234E, TYR105E, TYR94D, VAL91D
• D-F: ALA5D, ALA65F, ALA7D, ALA96D, ALA96F, ARG123D, ARG123F, ARG127F, ARG170D, ARG75D, ARG76D, ARG76F, ASN114F, ASN117F, ASN135D, ASN169D, ASN171D, ASN171F, ASN50F, ASN53F, ASN60F, ASN79D, ASN79F, ASN81D, ASN81F, ASN95D, ASN95F, ASP109D, ASP109F, ASP112D, ASP112F, ASP120D, ASP120F, ASP128F, ASP86D, ASP90D, CYS137D, GLN125F, GLN62F, GLU103F, GLU105D, GLU11D, GLU132D, GLU139D, GLU163F, GLU172D, GLU57F, GLU64F, GLU69F, GLU74D, GLU74F, GLU78F, GLU85D, GLU85F, GLU97D, GLY134D, GLY136D, GLY1D, GLY4D, GLY67F, GLY87D, GLY87F, GLY8D, HIS106D, HIS106F, HIS111F, ILE10D, ILE56F, ILE6D, LEU101D, LEU118F, LEU133D, LEU2D, LEU2F, LEU77D, LEU77F, LEU80D, LEU80F, LEU89D, LEU98D, LEU98F, LEU99D, LEU99F, LYS116D, LYS116F, LYS121F, LYS131D, LYS167F, LYS43F, LYS51F, LYS58F, LYS68F, LYS82D, LYS82F, LYS83D, LYS83F, MET102D, MET102F, MET124F, MET59F, MET84D, MET84F, PHE110F, PHE138D, PHE3D, PHE3F, PHE63F, PHE70D, PHE70F, PHE88D, PHE88F, PHE9D, PRO160F, SER113D, SER113F, SER54F, SER71F, THR107F, THR61F, THR93D, TRP92D, TRP92F, TYR119D, TYR141D, TYR159F, TYR94D, VAL100D, VAL100F, VAL130D, VAL55F, VAL66F, VAL91D, VAL91F
• E-F: ALA19E, ALA317E, ALA35F, ALA36F, ALA39E, ALA44F, ALA5F, ALA65F, ALA7F, ALA96F, ARG123F, ARG263E, ARG321E, ARG32E, ASN104F, ASN114F, ASN117F, ASN135F, ASN150F, ASN169F, ASN20E, ASN21E, ASN28F, ASN296E, ASN322E, ASN33E, ASN53F, ASN54E, ASN60F, ASN72F, ASN81F, ASN92E, ASN95F, ASP104E, ASP109F, ASP112F, ASP11E, ASP120F, ASP145F, ASP146F, ASP19F, ASP27E, ASP29F, ASP37F, ASP41E, ASP86F, ASP90F, CYS137F, CYS144F, CYS148F, CYS14E, CYS281E, CYS305E, GLN12E, GLN15F, GLN282E, GLN30F, GLN62F, GLU103F, GLU105F, GLU106E, GLU107E, GLU11F, GLU139F, GLU304E, GLU312E, GLU31E, GLU57F, GLU64F, GLU69F, GLU74F, GLU85F, GLU89E, GLU91E, GLU97F, GLY10E, GLY12F, GLY136F, GLY13F, GLY16E, GLY16F, GLY1F, GLY20F, GLY23F, GLY263E, GLY266E, GLY303E, GLY319E, GLY33F, GLY4F, GLY67F, GLY8F, HIS106F, HIS110E, HIS111F, HIS142F, HIS18E, HIS1F, HIS25F, HIS26F, HIS295E, HIS298E, HIS38E, ILE10F, ILE13E, ILE15E, ILE267E, ILE29E, ILE302E, ILE42E, ILE48F, ILE56F, ILE6F, ILE87E, LEU101F, LEU108F, LEU118F, LEU126F, LEU133F, LEU292E, LEU2F, LEU300E, LEU30E, LEU314E, LEU316E, LEU320E, LEU43E, LEU53E, LEU73F, LEU77F, LEU89F, LEU98F, LEU99F, LYS109E, LYS116F, LYS121F, LYS131F, LYS143F, LYS153F, LYS25E, LYS269E, LYS280E, LYS307E, LYS310E, LYS313E, LYS40E, LYS51F, LYS58F, LYS68F, MET102F, MET149F, MET17F, MET268E, MET59F, PHE110F, PHE138F, PHE140F, PHE294E, PHE45F, PHE63F, PHE70F, PHE88F, PHE9F, PRO284E, PRO293E, PRO299E, PRO306E, PRO324E, PRO9E, SER113E, SER114E, SER22E, SER264E, SER265E, SER27F, SER311E, SER32F, SER54F, SER71F, SER85E, THR107F, THR28E, THR290E, THR291E, THR301E, THR318E, THR35E, THR37E, THR41F, THR49F, THR61F, THR93F, TRP14F, TRP21F, TRP92F, TYR105E, TYR119F, TYR141F, TYR157F, TYR17E, TYR22F, TYR24F, TYR308E, TYR34F, TYR86E, TYR94F, VAL100F, VAL115F, VAL122F, VAL130F, VAL152F, VAL18F, VAL26E, VAL309E, VAL315E, VAL323E, VAL34E, VAL36E, VAL52F, VAL55F, VAL66F, VAL91F