3M5J

crystal structure of a h7 influenza virus hemagglutinin complexed with lstb

• Total interactions analyzed: 15
• Total true interactions: 15
• Strongest Interaction:
  • Chains: D-F
  • Int. Res.: 133
  • Norm. En. per Res.: -2.8767
• 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	-296.2247	-47.5283	-164.307	-508.06	237	46	21	34313	3	73	56
A-C	0.0	0.0	-58.897	-58.897	44	1	1	2892	0	8	9
A-D	-3.7485	-11.8383	-43.2096	-58.7964	42	0	0	2280	0	11	5
A-E	-14.4335	0.0	-52.2234	-66.6569	36	1	0	2508	0	3	9
A-F	0.0	5.3247	-61.196	-55.8713	35	1	0	2602	0	4	10
B-C	-3.4563	6.2931	-56.1666	-53.3297	31	0	0	2546	0	4	10
B-D	-21.4794	-90.4433	-270.67	-382.5927	139	11	6	11730	10	51	37
B-E	-11.0647	-14.1867	-57.7254	-82.9767	43	3	0	2381	0	10	3
B-F	-23.9877	-81.6069	-297.943	-403.5376	141	5	6	13202	9	54	38
C-D	-282.8048	-70.0925	-108.859	-461.7563	235	42	21	33245	6	69	58
C-E	0.0	0.0	-42.1227	-42.1227	39	1	0	2062	0	7	10
C-F	-2.4116	-11.9239	-61.7203	-76.0558	44	4	0	2465	0	11	4
D-E	-15.555	7.8544	-57.5683	-65.2688	35	2	0	2505	0	4	10
D-F	-30.7496	-72.4878	-279.366	-382.6034	133	4	7	12283	8	52	39
E-F	-264.5372	-44.5034	-116.283	-425.3236	229	43	21	33194	4	70	57

Interface residues

• A-B: ALA101B, ALA111B, ALA130B, ALA19A, ALA21A, ALA272A, ALA29B, ALA317A, ALA35B, ALA36B, ALA39A, ALA44B, ALA5B, ALA7B, ALA96B, ARG101A, ARG109A, ARG113A, ARG114A, ARG121B, ARG153B, ARG25B, ARG300A, ARG307A, ARG321A, ARG32A, ARG54B, ARG85B, ARG90A, ARG91A, ASN104B, ASN12B, ASN169B, ASN19B, ASN22A, ASN27A, ASN28B, ASN296A, ASN298A, ASN322A, ASN38A, ASN60B, ASN68B, ASN71B, ASN82B, ASN95B, ASP109B, ASP112B, ASP11A, ASP11A9, ASP133B, ASP145B, ASP271A, ASP280A, ASP37B, ASP67B, ASP86B, ASP95A, CB6.53915-5.20188, CB7.63035-16.14502, CB7.63973-6.06661, CB8.3274017.07226, CYS137B, CYS144B, CYS148B, CYS14A, CYS281A, CYS305A, GLN105B, GLN110A, GLN125B, GLN269A, GLN27B, GLN295A, GLN30B, GLN311A, GLN61B, GLN62B, GLU103B, GLU105A, GLU106A, GLU114B, GLU11B, GLU120B, GLU131B, GLU132B, GLU139B, GLU150B, GLU15B, GLU264A, GLU31A, GLU325A, GLU32B, GLU35A, GLU41A, GLU64B, GLU69B, GLU72B, GLU74B, GLU89A, GLU90B, GLU92A, GLU97B, GLY10A, GLY136B, GLY13B, GLY16A, GLY16B, GLY1B, GLY20B, GLY23B, GLY267A, GLY285A, GLY303A, GLY319A, GLY31B, GLY33B, GLY57B, GLY78B, GLY8B, GLY93A, HIS106B, HIS142B, HIS17A, HIS18A, HIS26B, HIS283A, ILE108B, ILE10B, ILE111A, ILE13A, ILE140B, ILE152B, ILE18B, ILE288A, ILE34A, ILE45B, ILE48B, ILE56B, ILE66B, ILE6B, ILE73B, ILE77B, ILE81B, ILE87A, ILE88A, ILE91B, LEU110B, LEU118B, LEU126B, LEU15A, LEU17B, LEU266A, LEU292A, LEU29A, LEU2B, LEU314A, LEU315A, LEU316A, LEU52B, LEU55B, LEU61A, LEU65B, LEU66A, LEU67A, LEU98B, LEU99B, LYS117B, LYS123B, LYS12A, LYS143B, LYS25A, LYS304A, LYS310A, LYS326A, LYS51B, LYS58B, MET102B, MET115B, MET149B, MET320A, MET88B, PHE138B, PHE141B, PHE24B, PHE282A, PHE294A, PHE63B, PHE70B, PHE9B, PRO293A, PRO306A, PRO324A, SER107A, SER116B, SER265A, SER270A, SER284A, SER290A, SER291A, SER299A, SER313A, SER40B, SER93B, THR107B, THR135B, THR28A, THR301A, THR30A, THR318A, THR34B, THR40A, THR41B, THR42A, THR49B, THR59B, THR89B, THR94A, TRP14B, TRP21B, TRP92B, TYR119B, TYR22B, TYR308A, TYR94B, VAL100B, VAL122B, VAL20A, VAL268A, VAL26A, VAL289A, VAL302A, VAL309A, VAL323A, VAL36A, VAL37A, VAL43A
• A-C: ALA219C, ARG101C, ARG205A, ARG220C, ARG229C, ARG307A, ARG91C, ASN199A, ASN199C, ASN216C, ASN248A, ASP231C, GLN163A, GLN191C, GLN210A, GLN211A, GLN311C, GLU186C, GLY100C, GLY198A, GLY218C, HIS184C, ILE202A, ILE230C, ILE96C, LEU201A, LYS200A, LYS208A, LYS310C, PHE102C, PHE213A, PRO215C, PRO217C, PRO99C, SER185C, SER187C, SER212A, THR203A, THR214A, THR246A, TYR209A, TYR98C, VAL188C, VAL204A
• A-D: ARG109A, ARG114A, ARG300A, ARG307A, ASN104A, ASN71D, ASN79D, ASN82D, ASN95D, GLN110A, GLN75D, GLN76D, GLU105A, GLU106A, GLU69D, GLU72D, GLU74D, GLU90D, GLY78D, ILE111A, ILE73D, ILE77D, ILE91D, LEU108A, LEU177A, LEU235A, LEU236A, LEU98D, LYS208A, PHE294A, PHE70D, PRO293A, SER107A, SER207A, SER299A, SER93D, THR301A, TRP234A, TRP83D, TYR209A, TYR94D, VAL80D
• A-E: ALA219A, ARG101A, ARG205E, ARG220A, ARG229A, ARG307E, ASN199E, ASN216A, ASP231A, GLN210E, GLN211E, GLU186A, GLY100A, GLY218A, HIS184A, ILE202E, ILE230A, ILE96A, LEU201E, LYS208E, LYS310A, PHE213E, PRO215A, PRO217A, PRO99A, SER185A, SER187A, SER189A, SER212E, THR203E, THR214E, THR246E, TYR209E, TYR98A, VAL188A, VAL204E
• A-F: ALA44F, ARG32A, ARG54F, ASN27A, ASN53F, ASN60F, ASP46F, GLN311A, GLN47F, GLN61F, GLN62F, GLU103F, GLU31A, GLY50F, HIS106F, ILE34A, ILE48F, LEU110F, LEU29A, LEU52F, LEU55F, LEU99F, LYS310A, LYS51F, LYS58F, MET102F, PHE63F, SER43F, THR107F, THR28A, THR30A, THR49F, THR59F, TRP92F, TYR308A
• B-C: ALA44B, ARG32C, ARG54B, ASN27C, ASN53B, ASN60B, ASP46B, GLN47B, GLN61B, GLN62B, GLU103B, GLU31C, GLY50B, HIS106B, ILE34C, ILE48B, LEU110B, LEU29C, LEU52B, LEU55B, LEU99B, LYS310C, LYS51B, LYS58B, MET102B, SER43B, THR107B, THR28C, THR30C, THR49B, THR59B
• B-D: ALA101D, ALA111B, ALA130D, ALA5D, ALA7D, ALA87B, ALA87D, ALA96B, ARG121B, ARG127B, ARG163B, ARG170B, ARG170D, ARG54B, ARG85B, ARG85D, ASN169D, ASN60B, ASN68B, ASN79D, ASN82B, ASN82D, ASN95B, ASN95D, ASP109B, ASP109D, ASP112B, ASP112D, ASP133D, ASP67B, ASP86B, ASP86D, CYS137D, GLN105D, GLN125B, GLN168B, GLN168D, GLN172D, GLN47B, GLN61B, GLN62B, GLN75B, GLN75D, GLN76B, GLN76D, GLU103B, GLU114B, GLU120B, GLU120D, GLU128B, GLU128D, GLU131D, GLU132B, GLU132D, GLU139D, GLU64B, GLU74B, GLU74D, GLU90D, GLU97D, GLY134D, GLY136D, GLY176B, GLY1D, GLY4D, GLY78B, GLY78D, GLY8D, HIS106B, HIS106D, HIS159B, ILE108B, ILE10D, ILE171B, ILE171D, ILE173B, ILE66B, ILE6D, ILE73B, ILE77B, ILE77D, ILE81B, ILE81D, ILE91B, ILE91D, LEU110B, LEU167B, LEU167D, LEU2B, LEU2D, LEU55B, LEU65B, LEU98B, LEU98D, LEU99B, LEU99D, LYS117B, LYS123B, LYS123D, LYS124B, LYS39B, LYS51B, LYS58B, MET102B, MET102D, MET88B, MET88D, PHE138D, PHE141D, PHE3B, PHE3D, PHE63B, PHE9D, SER113B, SER113D, SER116B, SER166D, SER175B, SER43B, SER93D, THR107B, THR135D, THR164B, THR164D, THR59B, THR84B, THR84D, THR89B, THR89D, TRP83B, TRP83D, TRP92B, TRP92D, TYR119D, TYR94B, TYR94D, VAL100B, VAL80B, VAL80D
• B-E: ALA87B, ARG109E, ARG113E, ARG114E, ARG300E, ARG307E, ASN104E, ASN71B, ASN79B, ASN82B, CYS305E, GLN110E, GLN75B, GLN76B, GLU105E, GLU106E, GLU72B, GLU74B, GLU90B, GLY78B, ILE111E, ILE73B, ILE77B, ILE91B, LEU108E, LEU112E, LEU236E, LEU98B, LYS208E, PHE294E, PHE70B, PRO293E, PRO306E, SER107E, SER299E, SER93B, THR301E, TRP234E, TRP83B, TYR308E, TYR94B, VAL302E, VAL80B
• B-F: ALA101B, ALA111F, ALA130B, ALA5B, ALA7B, ALA87B, ALA87F, ALA96F, ARG121F, ARG127F, ARG163F, ARG170B, ARG170F, ARG54F, ARG85B, ARG85F, ASN155F, ASN169B, ASN169F, ASN60F, ASN68F, ASN71F, ASN79B, ASN82B, ASN95B, ASN95F, ASP109B, ASP109F, ASP112B, ASP112F, ASP133B, ASP174B, ASP67F, ASP86B, ASP86F, CYS137B, GLN105B, GLN125F, GLN168F, GLN172B, GLN47F, GLN61F, GLN62F, GLN75B, GLN76B, GLN76F, GLU103F, GLU114F, GLU120B, GLU120F, GLU128B, GLU128F, GLU131B, GLU132B, GLU132F, GLU139B, GLU165F, GLU64F, GLU72F, GLU74F, GLU90B, GLU97B, GLU97F, GLY134B, GLY136B, GLY176B, GLY1B, GLY4B, GLY78B, GLY78F, GLY8B, HIS106B, HIS106F, HIS159F, ILE108F, ILE10B, ILE140B, ILE171B, ILE171F, ILE173B, ILE66F, ILE6B, ILE73F, ILE77B, ILE77F, ILE81B, ILE81F, ILE91B, ILE91F, LEU110F, LEU167F, LEU2B, LEU2F, LEU55F, LEU65F, LEU98B, LEU98F, LEU99F, LYS117F, LYS123B, LYS123F, LYS124F, LYS51F, LYS58F, MET102B, MET102F, MET88B, MET88F, PHE138B, PHE141B, PHE3B, PHE3F, PHE63F, PHE9B, SER113B, SER113F, SER116B, SER116F, SER166B, SER166F, SER175B, SER43F, SER93B, THR107F, THR135B, THR164F, THR59F, THR84B, THR84F, THR89B, THR89F, TRP83B, TRP83F, TRP92B, TRP92F, TYR119B, TYR94B, TYR94F, VAL100F, VAL80B, VAL80F
• C-D: ALA101D, ALA111D, ALA130D, ALA19C, ALA21C, ALA272C, ALA29D, ALA317C, ALA35D, ALA36D, ALA39C, ALA44D, ALA5D, ALA7D, ALA96D, ARG101C, ARG109C, ARG113C, ARG114C, ARG121D, ARG153D, ARG25D, ARG300C, ARG307C, ARG321C, ARG32C, ARG54D, ARG85D, ARG90C, ARG91C, ASN104C, ASN104D, ASN12D, ASN154D, ASN169D, ASN19D, ASN22C, ASN27C, ASN28D, ASN296C, ASN298C, ASN322C, ASN38C, ASN60D, ASN68D, ASN71D, ASN82D, ASN95D, ASP109D, ASP112D, ASP11C, ASP133D, ASP145D, ASP271C, ASP280C, ASP37D, ASP67D, ASP85C, ASP86D, ASP95C, CYS137D, CYS144D, CYS148D, CYS14C, CYS281C, CYS305C, GLN105D, GLN110C, GLN125D, GLN269C, GLN27D, GLN295C, GLN30D, GLN311C, GLN61D, GLN62D, GLU103D, GLU105C, GLU106C, GLU114D, GLU11D, GLU120D, GLU131D, GLU132D, GLU139D, GLU150D, GLU15D, GLU264C, GLU31C, GLU325C, GLU32D, GLU35C, GLU41C, GLU64D, GLU69D, GLU72D, GLU74D, GLU89C, GLU90D, GLU92C, GLU97D, GLY10C, GLY136D, GLY13D, GLY16C, GLY16D, GLY1D, GLY20D, GLY23D, GLY267C, GLY285C, GLY303C, GLY319C, GLY31D, GLY33D, GLY57D, GLY65C, GLY8D, GLY93C, HIS106D, HIS142D, HIS17C, HIS18C, HIS26D, HIS283C, ILE108D, ILE10D, ILE111C, ILE13C, ILE140D, ILE152D, ILE18D, ILE34C, ILE45D, ILE48D, ILE56D, ILE66D, ILE6D, ILE73D, ILE77D, ILE81D, ILE87C, ILE88C, ILE91D, LEU110D, LEU118D, LEU126D, LEU15C, LEU17D, LEU266C, LEU292C, LEU29C, LEU2D, LEU314C, LEU315C, LEU316C, LEU52D, LEU55D, LEU61C, LEU65D, LEU66C, LEU67C, LEU86C, LEU98D, LEU99D, LYS117D, LYS123D, LYS12C, LYS143D, LYS25C, LYS304C, LYS310C, LYS51D, LYS56C, LYS58D, MET102D, MET115D, MET149D, MET320C, MET88D, PHE102C, PHE138D, PHE141D, PHE24D, PHE282C, PHE294C, PHE63D, PHE70D, PHE9D, PRO293C, PRO306C, PRO324C, SER107C, SER116D, SER265C, SER270C, SER284C, SER290C, SER291C, SER299C, SER313C, SER40D, SER93D, THR107D, THR135D, THR28C, THR301C, THR30C, THR318C, THR34D, THR40C, THR41D, THR42C, THR49D, THR59D, THR89D, THR94C, TRP14D, TRP21D, TRP92D, TYR119D, TYR22D, TYR308C, TYR94D, VAL100D, VAL122D, VAL20C, VAL268C, VAL26C, VAL302C, VAL309C, VAL323C, VAL36C, VAL37C, VAL43C
• C-E: ALA219E, ARG101E, ARG205C, ARG220E, ARG229E, ARG307C, ARG91E, ASN199C, ASN216E, ASN248C, ASP231E, GLN163C, GLN191E, GLN210C, GLN211C, GLU186E, GLY100E, GLY218E, HIS184E, ILE202C, ILE96E, LEU201C, LYS200C, LYS208C, LYS310E, PHE213C, PRO215E, PRO217E, PRO99E, SER185E, SER187E, SER212C, THR203C, THR214C, THR246C, TYR209C, TYR98E, VAL188E, VAL204C
• C-F: ALA87F, ARG109C, ARG113C, ARG114C, ARG300C, ARG307C, ASN104C, ASN71F, ASN79F, ASN82F, CYS305C, GLN110C, GLN75F, GLN76F, GLU105C, GLU106C, GLU72F, GLU74F, GLU90F, GLY78F, ILE111C, ILE73F, ILE77F, ILE91F, LEU108C, LEU112C, LEU177C, LEU235C, LEU236C, LEU98F, LYS208C, PHE294C, PHE70F, PRO293C, PRO306C, SER107C, SER299C, THR301C, TRP234C, TRP83F, TYR308C, TYR94F, VAL302C, VAL80F
• D-E: ALA44D, ARG32E, ARG54D, ASN27E, ASN53D, ASN60D, ASP46D, GLN311E, GLN47D, GLN61D, GLN62D, GLU103D, GLU31E, GLY50D, HIS106D, ILE34E, ILE48D, LEU110D, LEU29E, LEU52D, LEU55D, LEU99D, LYS310E, LYS51D, LYS58D, MET102D, PHE63D, SER43D, THR107D, THR28E, THR30E, THR49D, THR59D, TRP92D, TYR308E
• D-F: ALA101F, ALA111D, ALA130F, ALA5F, ALA7F, ALA87D, ALA87F, ALA96D, ARG121D, ARG127D, ARG163D, ARG170D, ARG170F, ARG54D, ARG85D, ARG85F, ASN169F, ASN60D, ASN68D, ASN71D, ASN79F, ASN82F, ASN95D, ASN95F, ASP109D, ASP109F, ASP112D, ASP112F, ASP133F, ASP67D, ASP86D, ASP86F, CYS137F, GLN105F, GLN125D, GLN168D, GLN47D, GLN61D, GLN62D, GLN75F, GLN76F, GLU103D, GLU114D, GLU120D, GLU120F, GLU128D, GLU128F, GLU131F, GLU132D, GLU132F, GLU139F, GLU64D, GLU72D, GLU74D, GLU74F, GLU90F, GLU97D, GLU97F, GLY134F, GLY136F, GLY1F, GLY4F, GLY78D, GLY78F, GLY8F, HIS106D, HIS106F, HIS159D, ILE108D, ILE10F, ILE171D, ILE171F, ILE66D, ILE6F, ILE73D, ILE77D, ILE77F, ILE81D, ILE81F, ILE91D, ILE91F, LEU110D, LEU167D, LEU167F, LEU2D, LEU2F, LEU55D, LEU65D, LEU98D, LEU98F, LEU99D, LEU99F, LYS117D, LYS123D, LYS123F, LYS124D, LYS39D, LYS51D, LYS58D, MET102D, MET102F, MET88D, MET88F, PHE138F, PHE141F, PHE3D, PHE3F, PHE63D, PHE9F, SER113D, SER113F, SER116D, SER166F, SER43D, SER93F, THR107D, THR135F, THR164D, THR59D, THR84D, THR84F, THR89D, THR89F, TRP83D, TRP83F, TRP92D, TRP92F, TYR119F, TYR94D, TYR94F, VAL100D, VAL80D, VAL80F
• E-F: ALA101F, ALA111F, ALA130F, ALA19E, ALA21E, ALA272E, ALA29F, ALA317E, ALA35F, ALA36F, ALA39E, ALA44F, ALA5F, ALA7F, ALA96F, ARG109E, ARG113E, ARG114E, ARG121F, ARG153F, ARG25F, ARG300E, ARG307E, ARG321E, ARG32E, ARG54F, ARG85F, ARG90E, ARG91E, ASN104F, ASN12F, ASN169F, ASN19F, ASN22E, ASN27E, ASN28F, ASN296E, ASN298E, ASN322E, ASN38E, ASN53F, ASN60F, ASN68F, ASN71F, ASN82F, ASN95F, ASP109F, ASP112F, ASP11E, ASP133F, ASP145F, ASP271E, ASP280E, ASP37F, ASP67F, ASP85E, ASP86F, ASP95E, CYS137F, CYS144F, CYS148F, CYS14E, CYS281E, CYS305E, GLN105F, GLN110E, GLN125F, GLN269E, GLN27F, GLN295E, GLN30F, GLN311E, GLN61F, GLN62F, GLU103F, GLU105E, GLU106E, GLU114F, GLU11F, GLU120F, GLU131F, GLU139F, GLU150F, GLU15F, GLU264E, GLU31E, GLU325E, GLU32F, GLU35E, GLU41E, GLU64F, GLU69F, GLU72F, GLU74F, GLU89E, GLU90F, GLU92E, GLU97F, GLY10E, GLY136F, GLY13F, GLY16E, GLY16F, GLY1F, GLY20F, GLY23F, GLY267E, GLY285E, GLY303E, GLY319E, GLY31F, GLY33F, GLY57F, GLY65E, GLY8F, GLY93E, HIS106F, HIS142F, HIS17E, HIS18E, HIS26F, HIS283E, ILE108F, ILE10F, ILE111E, ILE13E, ILE140F, ILE152F, ILE18F, ILE34E, ILE45F, ILE48F, ILE56F, ILE66F, ILE6F, ILE73F, ILE77F, ILE81F, ILE87E, ILE88E, ILE91F, LEU110F, LEU118F, LEU126F, LEU15E, LEU17F, LEU266E, LEU292E, LEU29E, LEU2F, LEU314E, LEU315E, LEU316E, LEU52F, LEU55F, LEU65F, LEU66E, LEU67E, LEU86E, LEU98F, LEU99F, LYS117F, LYS123F, LYS12E, LYS143F, LYS25E, LYS304E, LYS310E, LYS51F, LYS58F, MET102F, MET115F, MET149F, MET320E, MET88F, PHE138F, PHE141F, PHE24F, PHE282E, PHE294E, PHE63F, PHE70F, PHE9F, PRO293E, PRO306E, PRO324E, SER107E, SER116F, SER265E, SER270E, SER284E, SER290E, SER291E, SER299E, SER313E, SER40F, SER93F, THR107F, THR135F, THR28E, THR301E, THR30E, THR318E, THR34F, THR40E, THR41F, THR42E, THR49F, THR59F, THR89F, THR94E, TRP14F, TRP21F, TRP92F, TYR119F, TYR22F, TYR308E, TYR94F, VAL100F, VAL122F, VAL20E, VAL268E, VAL26E, VAL302E, VAL309E, VAL323E, VAL36E, VAL37E, VAL43E