3IYW

west nile virus in complex with fab fragments of mab cr4354 (fitted coordinates of envelope proteins and fab fragments of one icosahedral asu)

• Total interactions analyzed: 21
• Total true interactions: 13
• Strongest Interaction:
  • Chains: B-L
  • Int. Res.: 24
  • Norm. En. per Res.: -0.7186
• 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	-17.3436	-11.457	8.9497	-19.8509	70	49	1	5804	1	21	22
A-C	-6.5762	-22.3722	433.107	404.1586	82	65	1	4823	1	15	13
A-H	-59.9796	-17.5474	974.686	897.1591	73	207	2	8835	1	9	9
A-L	0.0	0.0	-1.3858	-1.3858	11	0	0	165	0	1	1
A-M	0.0	0.0	-0.1013	-0.1013	6	0	0	30	0	0	0
B-C	-34.6663	-3.4383	2461.1	2422.9954	178	511	6	19208	0	39	29
B-H	0.0	0.0	66.1375	66.1375	24	55	1	2075	0	1	0
B-L	0.0	-10.2373	-7.0099	-17.2472	24	11	0	931	1	4	2
C-L	0.0	0.0	-0.2677	-0.2677	9	0	0	44	0	1	1
C-K	-20.9785	-16.5718	1000.77	963.2197	78	178	2	9746	0	10	9
C-M	0.0	0.0	-4.9566	-4.9566	11	0	0	281	0	1	0
H-L	-92.0294	-17.3817	269.083	159.672	189	19	11	17679	0	17	17
K-M	-73.8815	-17.382	273.255	181.9915	189	23	11	17686	0	17	17

Interface residues

• A-B: ALA172A, ALA173A, ALA200A, ALA316B, ALA344B, ARG193A, ARG289A, ASN134A, ASN199A, ASN347B, ASN394B, ASP189A, ASP197A, ASP317B, ASP348B, ASP381B, CYS190A, CYS288A, GLN391B, GLN392B, GLU133A, GLU191A, GLU326B, GLU390B, GLY195A, GLY313B, GLY380B, GLY389B, HIS285A, HIS395B, HIS396B, HIS398B, ILE130A, ILE135A, ILE196A, ILE393B, LEU131A, LEU286A, LEU312B, LEU327B, LEU346B, LYS132A, LYS287A, LYS291A, LYS310B, LYS399B, PHE309B, PHE311B, PRO171A, PRO174A, PRO192A, PRO315B, PRO377B, SER175A, SER194A, SER345B, SER382B, SER400B, THR170A, THR177A, THR187A, THR198A, THR314B, TRP397B, TYR137A, TYR176A, TYR201A, TYR383B, VAL323B, VAL343B
• A-C: ALA228A, ALA228C, ALA54A, ALA54C, ALA80A, ALA80C, ALA86A, ALA86C, ARG128A, ARG215A, ARG234A, ARG236A, ARG236C, ARG57A, ARG57C, ARG85A, ARG85C, ASN199A, ASN235A, ASN235C, ASN82A, ASN82C, ASP114C, ASP83C, ASP87A, ASP87C, CYS74C, CYS92A, CYS92C, GLN94A, GLN94C, GLU133C, GLU55A, GLU55C, GLU79A, GLU79C, GLY106C, GLY229A, GLY229C, GLY78A, GLY78C, HIS81A, HIS81C, ILE130A, LEU107A, LEU107C, LEU131A, LEU131C, LYS132A, LYS71C, LYS84C, MET219A, MET219C, MET77A, MET77C, PRO75A, PRO75C, PRO88A, PRO88C, SER112C, SER226A, SER226C, SER227A, SER227C, SER230A, SER230C, THR129A, THR129C, THR231A, THR231C, THR76A, THR76C, TRP225A, TRP225C, TRP233A, TRP233C, TYR202A, VAL232A, VAL232C, VAL56A, VAL56C, VAL91C
• A-H: ALA164A, ALA172A, ALA173A, ALA50A, ALA51A, ARG166A, ARG72H, ARG98H, ASN103H, ASN134A, ASN277A, ASN47A, ASN52A, ASN52H, ASP73H, ASP99H, GLU133A, GLU138A, GLU49A, GLY101H, GLY107H, GLY160A, GLY165A, GLY26H, GLY55H, GLY56H, HIS31H, ILE135A, ILE169A, ILE51H, LEU178A, LYS111H, LYS132A, LYS136A, LYS280A, MET45A, MET46A, MET48A, PHE167A, PHE29H, PRO171A, PRO53H, SER102H, SER108H, SER156A, SER168A, SER175A, SER25H, SER54H, SER57H, SER75H, SER77H, THR170A, THR177A, THR278A, THR28H, THR30H, THR74H, THR76H, TRP100H, TRP106H, TYR104H, TYR109H, TYR112H, TYR137A, TYR155A, TYR176A, TYR27H, TYR32H, TYR33H, VAL105H, VAL139A, VAL159A
• A-L: ALA228A, ALA54A, ARG55L, ASN277A, ASN52A, GLN54L, LEU53A, PRO56L, SER276A, SER57L, TYR50L
• A-M: ASN52M, ASN53M, GLN54M, GLY51M, MET77A, THR33M
• B-C: ALA254B, ALA254C, ALA261B, ALA261C, ALA265B, ALA265C, ALA267B, ALA267C, ALA269B, ALA269C, ALA316B, ALA316C, ARG99B, ARG99C, ARG9C, ASN103B, ASN103C, ASN154C, ASN222B, ASN222C, ASN2C, ASN8B, ASN8C, ASP28C, ASP317B, ASP317C, ASP98B, ASP98C, CYS105B, CYS105C, GLN258B, GLN258C, GLN264B, GLN264C, GLU150B, GLU150C, GLU237B, GLU237C, GLU243B, GLU244B, GLU244C, GLU259B, GLU259C, GLU273B, GLU273C, GLU326B, GLU326C, GLU374B, GLU374C, GLY100B, GLY100C, GLY102B, GLY102C, GLY104B, GLY104C, GLY106B, GLY106C, GLY109B, GLY109C, GLY153B, GLY153C, GLY207B, GLY256B, GLY256C, GLY260B, GLY260C, GLY313B, GLY313C, GLY319B, GLY319C, GLY5B, GLY5C, HIS152B, HIS152C, HIS263B, HIS263C, HIS320B, HIS320C, HIS395B, HIS395C, ILE253B, ILE253C, ILE270B, ILE270C, ILE373B, ILE373C, LEU107B, LEU107C, LEU221B, LEU221C, LEU223B, LEU223C, LEU239B, LEU239C, LEU255B, LEU255C, LEU262B, LEU262C, LEU266B, LEU266C, LEU312B, LEU312C, LEU325B, LEU325C, LEU327B, LEU327C, LEU372B, LEU372C, LEU4B, LEU4C, LEU62B, LYS110B, LYS110C, LYS209B, LYS209C, LYS370C, MET240B, MET240C, MET6B, MET6C, PHE108B, PHE108C, PHE1C, PHE211B, PHE211C, PHE311B, PRO271B, PRO271C, PRO315B, PRO315C, PRO75B, PRO75C, SER151C, SER251B, SER251C, SER257B, SER257C, SER7B, SER7C, THR147C, THR148B, THR148C, THR208B, THR208C, THR210B, THR210C, THR238B, THR314B, THR314C, THR318B, THR318C, THR322B, THR322C, THR76B, THR76C, TRP101B, TRP101C, TRP217B, TRP217C, TRP397B, TRP397C, TYR61B, TYR61C, VAL149B, VAL149C, VAL206B, VAL206C, VAL272B, VAL272C, VAL323B, VAL323C, VAL324B, VAL324C, VAL371B, VAL371C, VAL96B, VAL97B, VAL97C
• B-H: ASN103H, ASN368B, ASN394B, GLN328B, GLY107H, GLY313B, HIS395B, HIS396B, ILE393B, LEU312B, LYS310B, LYS370B, PHE309B, PHE311B, PRO315B, SER102H, SER108H, THR314B, THR330B, TRP100H, TRP106H, TYR104H, TYR33H, VAL105H
• B-L: ALA367B, ALA369B, ASN32L, ASN368B, ASN97L, ASP93L, ASP94L, GLN328B, GLU150B, GLY331B, GLY98L, LEU312B, LEU96L, LYS310B, LYS370B, SER26L, SER27L, SER31L, SER95L, THR330B, THR332B, THR366B, TRP92L, TYR329B
• C-L: ASN53L, CYS74C, GLN54L, GLY104C, GLY51L, LYS67L, LYS71C, MET77C, TYR50L
• C-K: ALA164C, ALA172C, ALA173C, ALA50C, ALA51C, ARG166C, ARG72K, ARG98K, ASN103K, ASN134C, ASN277C, ASN47C, ASN52C, ASN52K, ASP73K, ASP99K, GLU133C, GLU138C, GLU49C, GLY101K, GLY107K, GLY160C, GLY165C, GLY26K, GLY55K, GLY56K, HIS31K, ILE135C, ILE169C, ILE51K, LEU178C, LEU53C, LYS111K, LYS132C, LYS136C, LYS280C, MET45C, MET46C, MET48C, PHE167C, PHE29K, PRO171C, PRO174C, PRO192C, PRO53K, SER102K, SER156C, SER168C, SER175C, SER275C, SER276C, SER54K, SER57K, SER75K, SER77K, THR170C, THR177C, THR278C, THR28K, THR30K, THR74K, THR76K, TRP100K, TRP106K, TYR104K, TYR109K, TYR112K, TYR137C, TYR155C, TYR176C, TYR27K, TYR32K, TYR33K, VAL105K, VAL139C, VAL159C, VAL279C, VAL2K
• C-M: ALA54C, ARG55M, ASN277C, ASN52C, GLY58M, LEU47M, LEU53C, PRO56M, SER276C, SER57M, TYR50M
• H-L: ALA135H, ALA135L, ALA138L, ALA146H, ALA147H, ALA178H, ALA181L, ALA182L, ALA215L, ALA44L, ALA61H, ALA90L, ALA91L, ALA97H, ARG220H, ARG38H, ARG98H, ASN177L, ASN28L, ASN32L, ASN35L, ASN52L, ASN97L, ASP146L, ASP154H, ASP227H, ASP86L, ASP93L, ASP94L, ASP99H, CYS142L, CYS150H, CYS219L, CYS226H, CYS89L, CYS96H, GLN115H, GLN134L, GLN175L, GLN181H, GLN1L, GLN38L, GLN39H, GLN39L, GLN43H, GLN54L, GLN62H, GLU131L, GLU132L, GLU168L, GLU218L, GLU222H, GLU46H, GLY102L, GLY103L, GLY104L, GLY107H, GLY114H, GLY116H, GLY149H, GLY166L, GLY184H, GLY42H, GLY42L, GLY44H, GLY49H, GLY51L, GLY98L, HIS174H, HIS230H, HIS35H, ILE144L, ILE49L, ILE50H, LEU125L, LEU133L, LEU134H, LEU140L, LEU143L, LEU148H, LEU151H, LEU180H, LEU185H, LEU186L, LEU188H, LEU188L, LEU45H, LEU47L, LEU48L, LEU96L, LYS111H, LYS127H, LYS137L, LYS139H, LYS153H, LYS174L, LYS212L, LYS219H, LYS224H, LYS228H, LYS46L, LYS63H, MET48H, PHE101L, PHE126L, PHE132H, PHE147L, PHE176H, PRO110H, PRO127L, PRO128L, PRO133H, PRO136H, PRO172L, PRO177H, PRO216L, PRO45L, PRO56L, PRO99L, SER108H, SER122L, SER129L, SER130H, SER130L, SER137H, SER138H, SER145L, SER173L, SER176L, SER182H, SER183H, SER183L, SER184L, SER187H, SER187L, SER189H, SER190H, SER220L, SER225H, SER27L, SER2L, SER31L, SER57L, THR124L, THR139L, THR169L, THR170L, THR171L, THR175H, THR193H, THR217L, THR229H, THR33L, THR43L, THR59H, TRP100H, TRP106H, TRP113H, TRP36H, TRP47H, TRP92L, TYR104H, TYR109H, TYR112H, TYR180L, TYR185L, TYR186H, TYR37L, TYR50L, TYR60H, TYR87L, TYR88L, TYR95H, VAL100L, VAL105H, VAL123L, VAL131H, VAL141L, VAL152H, VAL167L, VAL179H, VAL191H, VAL192H, VAL214L, VAL221H, VAL34L, VAL37H, VAL3L, VAL93H
• K-M: ALA135K, ALA135M, ALA138M, ALA146K, ALA147K, ALA178K, ALA181M, ALA182M, ALA215M, ALA44M, ALA61K, ALA90M, ALA91M, ALA97K, ARG220K, ARG38K, ARG98K, ASN177M, ASN28M, ASN32M, ASN35M, ASN52M, ASN97M, ASP146M, ASP154K, ASP227K, ASP86M, ASP93M, ASP94M, ASP99K, CYS142M, CYS150K, CYS219M, CYS226K, CYS89M, CYS96K, GLN115K, GLN134M, GLN175M, GLN181K, GLN1M, GLN38M, GLN39K, GLN39M, GLN43K, GLN54M, GLN62K, GLU131M, GLU132M, GLU168M, GLU218M, GLU222K, GLU46K, GLY102M, GLY103M, GLY104M, GLY107K, GLY114K, GLY116K, GLY149K, GLY166M, GLY184K, GLY42K, GLY42M, GLY44K, GLY49K, GLY51M, GLY98M, HIS174K, HIS230K, HIS35K, ILE144M, ILE49M, ILE50K, LEU125M, LEU133M, LEU134K, LEU140M, LEU143M, LEU148K, LEU151K, LEU180K, LEU185K, LEU186M, LEU188K, LEU188M, LEU40M, LEU45K, LEU47M, LEU48M, LEU96M, LYS111K, LYS127K, LYS137M, LYS139K, LYS153K, LYS174M, LYS212M, LYS219K, LYS224K, LYS228K, LYS46M, LYS63K, MET48K, PHE101M, PHE126M, PHE132K, PHE147M, PHE176K, PRO110K, PRO127M, PRO128M, PRO133K, PRO136K, PRO172M, PRO177K, PRO216M, PRO45M, PRO56M, PRO99M, SER108K, SER122M, SER129M, SER130K, SER130M, SER137K, SER138K, SER145M, SER173M, SER176M, SER182K, SER183K, SER183M, SER184M, SER187K, SER187M, SER189K, SER190K, SER220M, SER225K, SER27M, SER2M, SER31M, SER57M, THR124M, THR139M, THR169M, THR170M, THR171M, THR175K, THR193K, THR217M, THR229K, THR33M, THR43M, THR59K, TRP100K, TRP106K, TRP113K, TRP36K, TRP47K, TRP92M, TYR104K, TYR109K, TYR112K, TYR180M, TYR185M, TYR186K, TYR37M, TYR50M, TYR60K, TYR87M, TYR88M, TYR95K, VAL100M, VAL105K, VAL123M, VAL131K, VAL141M, VAL152K, VAL167M, VAL179K, VAL191K, VAL192K, VAL214M, VAL221K, VAL37K, VAL3M, VAL93K