3GBM

crystal structure of fab cr6261 in complex with a h5n1 influenza virus hemagglutinin.

• Total interactions analyzed: 28
• Total true interactions: 11
• Strongest Interaction:
  • Chains: B-H
  • Int. Res.: 51
  • Norm. En. per Res.: -3.6354
• 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
A-B	-224.8519	-15.9182	-51.0021	-291.7722	217	36	26	26983	4	65	52
A-H	0.0	0.0	-63.2268	-63.2268	34	4	0	2290	0	3	5
A-M	-2.3072	-0.8097	-17.6251	-20.742	23	0	0	1010	0	4	5
B-H	-37.49	0.0	-147.916	-185.406	51	6	4	5682	0	11	6
B-L	0.0	0.0	-0.0479	-0.0479	3	0	0	13	0	3	4
C-D	-244.938	-11.2066	-102.215	-358.3596	212	51	22	27368	5	59	48
C-I	-3.6445	0.0	-70.2554	-73.8999	33	3	0	2351	0	2	5
D-I	-13.0918	0.0	-145.147	-158.2388	54	14	4	5933	0	11	7
D-M	0.0	0.0	-0.2056	-0.2056	7	0	0	51	0	3	4
H-L	-37.8933	-1.3251	-410.104	-449.3223	171	14	9	17120	1	24	21
I-M	-46.0601	5.5688	-410.099	-450.5903	173	18	10	16755	1	24	18

Interface residues

• A-B: ALA130B, ALA19A, ALA317A, ALA35B, ALA36B, ALA39A, ALA44B, ALA5B, ALA65B, ALA7B, ALA96B, ARG106B, ARG114A, ARG123B, ARG153B, ARG177B, ARG313A, ARG321A, ARG68B, ASN103A, ASN104B, ASN114B, ASN117B, ASN135B, ASN146B, ASN20A, ASN21A, ASN28B, ASN296A, ASN312A, ASN322A, ASN33A, ASN53B, ASN60B, ASN71B, ASN72B, ASN95B, ASP101A, ASP104A, ASP109B, ASP112B, ASP11A, ASP120B, ASP145B, ASP19B, ASP27A, ASP37B, ASP41A, ASP57B, ASP86B, ASP8A, ASP8A5, ASP90B, CB9.40735-7.54937, CYS137B, CYS144B, CYS148B, CYS14A, CYS305A, GLN125B, GLN12A, GLN15B, GLN25A, GLN30B, GLN40A, GLN62B, GLU103B, GLU105B, GLU106A, GLU107A, GLU11B, GLU139B, GLU150B, GLU172B, GLU29B, GLU304A, GLU31A, 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, ILE173B, ILE267A, ILE29A, ILE302A, ILE42A, ILE45B, ILE55B, ILE56B, ILE6B, LEU101B, LEU108B, LEU118B, LEU126B, LEU133B, LEU2B, LEU300A, LEU314A, LEU316A, LEU320A, LEU43A, LEU73B, LEU89B, LEU98B, LEU99B, LYS109A, LYS116B, LYS121B, LYS131B, LYS143B, LYS169B, LYS269A, LYS307A, LYS310A, LYS32A, LYS51B, LYS58B, LYS90A, MET102B, MET149B, MET17B, MET268A, MET292A, MET30A, MET59B, PHE102A, PHE110B, PHE138B, PHE140B, PHE294A, PHE63B, PHE70B, PHE88B, PHE9B, PRO293A, PRO299A, PRO306A, PRO324A, PRO9A, SER113A, SER151B, SER22A, SER265A, SER27B, SER291A, SER311A, SER323A, SER32B, THR107B, THR266A, THR28A, THR301A, THR318A, THR35A, THR37A, THR41B, THR49B, THR61B, THR93B, TRP14B, TRP21B, TRP92B, TYR105A, TYR119B, TYR141B, TYR17A, TYR22B, TYR24B, TYR308A, TYR34B, TYR94B, VAL100B, VAL115B, VAL122B, VAL152B, VAL18B, VAL26A, VAL309A, VAL315A, VAL34A, VAL36A, VAL48B, VAL52B, VAL66A, VAL66B, VAL91B
• A-H: ALA19A, ALA317A, ALA39A, ALA75H, ASN20A, ASP41A, ASP72H, ASP73H, GLN40A, GLY319A, GLY55H, GLY76H, HIS18A, HIS38A, ILE42A, ILE53H, LEU316A, LEU320A, LEU43A, MET292A, PHE294A, PHE29H, PHE54H, PHE74H, PRO28H, PRO293A, SER290A, SER291A, THR318A, THR37A, THR56H, THR77H, TYR79H, VAL315A
• A-M: ALA13M, ALA14M, ARG62A, ASN48A, GLN17M, GLU271A, GLU273A, GLY16M, GLY275A, GLY49A, GLY77M, HIS47A, LEU106M, LEU272A, LEU78M, LYS18M, LYS50A, LYS90A, MET285A, PRO15M, SER270A, THR76M, TYR274A
• B-H: ALA33H, ALA36B, ALA44B, ALA75H, ARG100H, ARG30H, ASN50B, ASN53B, ASP19B, ASP37B, ASP46B, ASP57B, ASP73H, GLN42B, GLN99H, GLU39B, GLY20B, GLY26H, GLY27H, GLY47B, GLY97H, HIS111B, ILE45B, ILE52H, ILE53H, ILE55B, ILE56B, LYS38B, LYS43B, LYS51B, LYS58H, MET17B, MET96H, PHE29H, PHE54H, PHE74H, PRO28H, PRO52H, SER31H, SER40B, SER54B, THR41B, THR49B, THR56H, TRP21B, TYR22B, TYR32H, TYR98H, VAL18B, VAL48B, VAL52B
• B-L: ASN154B, GLU150B, TYR32L
• C-D: ALA130D, ALA19C, ALA317C, ALA35D, ALA36D, ALA39C, ALA44D, ALA5D, ALA65D, ALA7D, ALA91C, ALA96D, ARG106D, ARG123D, ARG153D, ARG313C, ARG321C, ARG68D, ASN103C, ASN104D, ASN114D, ASN117D, ASN135D, ASN154D, ASN20C, ASN21C, ASN28D, ASN296C, ASN312C, ASN322C, ASN33C, ASN53D, ASN60D, ASN71D, ASN72D, ASN95D, ASP104C, ASP109D, ASP112D, ASP11C, ASP120D, ASP145D, ASP19D, ASP27C, ASP37D, ASP41C, ASP57D, ASP86D, ASP90D, CYS137D, CYS144D, CYS148D, CYS14C, CYS305C, GLN12C, GLN15D, GLN25C, GLN30D, GLN40C, GLN62D, GLU103D, GLU105D, GLU106C, GLU107C, GLU11D, GLU139D, GLU150D, GLU29D, GLU304C, GLU31C, GLU64D, GLU69D, GLU74D, GLU78D, GLU85D, GLU89C, GLU97D, GLY10C, GLY12D, GLY136D, GLY13D, GLY16C, GLY16D, GLY1D, GLY20D, GLY23D, GLY303C, GLY319C, GLY31D, GLY33D, GLY67D, GLY87D, GLY8D, HIS110C, HIS111D, HIS142D, HIS18C, HIS25D, HIS26D, HIS295C, HIS298C, HIS38C, ILE10D, ILE13C, ILE15C, ILE267C, ILE29C, ILE302C, ILE42C, ILE45D, ILE55D, ILE56D, ILE6D, LEU101D, LEU108C, LEU108D, LEU118D, LEU126D, LEU133D, LEU2D, LEU300C, LEU314C, LEU316C, LEU320C, LEU43C, LEU73D, LEU89D, LEU98D, LEU99D, LYS109C, LYS116D, LYS121D, LYS131D, LYS143D, LYS269C, LYS307C, LYS310C, LYS32C, LYS51D, LYS58D, LYS82D, LYS90C, MET102D, MET149D, MET17D, MET268C, MET292C, MET30C, MET59D, PHE102C, PHE110D, PHE138D, PHE140D, PHE294C, PHE63D, PHE70D, PHE88D, PHE9D, PRO293C, PRO299C, PRO306C, PRO324C, PRO9C, SER113C, SER151D, SER22C, SER265C, SER27D, SER291C, SER311C, SER323C, SER32D, SER40D, THR107D, THR266C, THR28C, THR301C, THR318C, THR35C, THR37C, THR41D, THR49D, THR61D, THR93D, TRP14D, TRP21D, TRP92D, TYR105C, TYR119D, TYR141D, TYR157D, TYR17C, TYR22D, TYR24D, TYR308C, TYR34D, TYR94D, VAL100D, VAL115D, VAL122D, VAL152D, VAL18D, VAL26C, VAL309C, VAL315C, VAL34C, VAL36C, VAL48D, VAL52D, VAL66C, VAL66D, VAL91D
• C-I: ALA317C, ALA39C, ALA75I, ASN20C, ASP41C, ASP72I, ASP73I, GLN40C, GLY319C, GLY55I, GLY76I, HIS18C, HIS38C, ILE42C, ILE53I, LEU316C, LEU320C, LEU43C, LYS23I, MET292C, PHE294C, PHE29I, PHE54I, PHE74I, PRO28I, PRO293C, SER290C, SER291C, THR318C, THR37C, THR56I, THR77I, TYR79I
• D-I: ALA33I, ALA36D, ALA44D, ALA75I, ARG100I, ARG30I, ASN50D, ASN53D, ASP19D, ASP37D, ASP46D, ASP57D, ASP73I, GLN42D, GLN99I, GLU39D, GLY20D, GLY26I, GLY27I, GLY47D, GLY55I, GLY97I, HIS111D, HIS95I, ILE45D, ILE52I, ILE53I, ILE55D, ILE56D, LYS38D, LYS43D, LYS51D, LYS58I, MET17D, MET96I, PHE29I, PHE54I, PHE74I, PRO28I, PRO52I, SER31I, SER40D, SER54D, THR100I, THR41D, THR49D, THR56I, TRP21D, TYR22D, TYR32I, TYR98I, VAL18D, VAL48D, VAL52D
• D-M: ASN154D, ASP50M, GLU150D, LYS38D, LYS53M, TYR32M, TYR49M
• H-L: ALA125H, ALA127L, ALA130L, ALA138H, ALA139H, ALA174L, ALA175L, ALA176H, ALA43L, ALA60H, ALA89L, ALA93H, ALA95L, ARG100H, ARG222H, ARG38H, ARG93L, ASN169L, ASN51L, ASN85L, ASP101H, ASP138L, ASP146H, ASP31L, ASP50L, ASP92L, CYS134L, CYS142H, CYS88L, CYS92H, GLN126L, GLN167L, GLN179H, GLN38L, GLN39H, GLN43H, GLN64H, GLN99H, GLU100H, GLU123L, GLU124L, GLU160L, GLU226H, GLU46H, GLU6H, GLY100L, GLY101L, GLY104H, GLY106H, GLY141H, GLY183H, GLY41L, GLY42H, GLY44H, GLY49H, GLY50H, GLY99L, HIS172H, HIS95H, ILE136L, ILE48L, ILE52H, LEU117L, LEU124H, LEU125L, LEU132L, LEU135L, LEU140H, LEU143H, LEU178H, LEU179L, LEU181L, LEU184H, LEU187H, LEU39L, LEU46L, LEU47L, LYS105H, LYS129L, LYS145H, LYS166L, LYS172L, LYS221H, LYS45L, LYS53L, LYS58H, LYS62H, LYS94H, MET100H, MET48H, MET89H, MET96H, PHE118L, PHE122H, PHE139L, PHE174H, PHE63H, PHE98L, PRO119L, PRO120L, PRO123H, PRO126H, PRO164L, PRO175H, PRO44L, PRO45H, PRO55L, PRO61H, SER114L, SER120H, SER121L, SER122L, SER137L, SER165L, SER168L, SER176L, SER177L, SER180H, SER180L, SER182H, SER186H, SER188H, SER189H, SER34L, SER35H, SER56L, THR100H, THR102L, THR116L, THR131L, THR161L, THR162L, THR163L, THR173H, THR192H, THR42L, THR90L, THR95L, TRP103H, TRP35L, TRP36H, TRP47H, TRP91L, TYR147H, TYR173L, TYR178L, TYR185H, TYR32L, TYR36L, TYR49L, TYR59H, TYR86L, TYR87L, TYR91H, TYR95L, VAL100H, VAL102H, VAL115L, VAL121H, VAL133L, VAL144H, VAL159L, VAL171H, VAL177H, VAL190H, VAL191H, VAL223H, VAL33L, VAL37H, VAL96L, VAL97L
• I-M: ALA125I, ALA127M, ALA130M, ALA138I, ALA139I, ALA174M, ALA175M, ALA176I, ALA40I, ALA43M, ALA60I, ALA89M, ALA93I, ALA95M, ARG100I, ARG222I, ARG38I, ARG93M, ASN128M, ASN170M, ASN51M, ASN85M, ASP101I, ASP138M, ASP146I, ASP31M, ASP50M, ASP92M, CYS134M, CYS142I, CYS88M, CYS92I, GLN126M, GLN167M, GLN179I, GLN38M, GLN39I, GLN43I, GLN64I, GLN6M, GLN99I, GLU100I, GLU123M, GLU124M, GLU160M, GLU46I, GLU6I, GLY100M, GLY101M, GLY104I, GLY106I, GLY141I, GLY158M, GLY183I, GLY41M, GLY42I, GLY44I, GLY49I, GLY50I, GLY99M, HIS172I, HIS95I, ILE136M, ILE48M, ILE52I, LEU117M, LEU124I, LEU125M, LEU132M, LEU135M, LEU140I, LEU143I, LEU178I, LEU179M, LEU181M, LEU187I, LEU39M, LEU46M, LEU47M, LEU4M, LYS105I, LYS129M, LYS145I, LYS166M, LYS221I, LYS45M, LYS53M, LYS58I, LYS62I, LYS94I, MET100I, MET48I, MET89I, MET96I, PHE118M, PHE122I, PHE139M, PHE174I, PHE63I, PHE98M, PRO119M, PRO120M, PRO123I, PRO126I, PRO164M, PRO175I, PRO44M, PRO45I, PRO55M, PRO61I, SER114M, SER120I, SER121M, SER122M, SER127I, SER128I, SER137M, SER165M, SER168M, SER176M, SER177M, SER180I, SER180M, SER182I, SER186I, SER188I, SER189I, SER34M, SER35I, THR100I, THR116M, THR131M, THR161M, THR162M, THR163M, THR173I, THR192I, THR42M, THR90M, THR95M, TRP103I, TRP35M, TRP36I, TRP47I, TRP91M, TYR147I, TYR173M, TYR178M, TYR185I, TYR32M, TYR36M, TYR49M, TYR59I, TYR86M, TYR87M, TYR91I, TYR95M, VAL100I, VAL102I, VAL115M, VAL121I, VAL133M, VAL144I, VAL159M, VAL177I, VAL190I, VAL191I, VAL209M, VAL219I, VAL33M, VAL37I, VAL96M, VAL97M