3UAJ

crystal structure of the envelope glycoprotein ectodomain from dengue virus serotype 4 in complex with the fab fragment of the chimpanzee monoclonal antibody 5h2

• Total interactions analyzed: 15
• Total true interactions: 7
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 69
  • Norm. En. per Res.: -3.9202
• Hub Node: B(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
B-A	-9.5846	18.3027	-294.478	-285.7599	162	7	5	11295	1	28	37
B-C	-60.1906	-23.0793	-187.225	-270.495	69	9	4	6608	3	22	17
B-D	-21.1671	18.9365	-71.42	-73.6506	40	4	0	2767	0	8	9
H-L	-37.6193	-14.6541	-442.352	-494.6254	186	10	12	17411	2	16	17
H-A	-34.1458	-25.2397	-181.798	-241.1834	70	14	4	6643	3	22	17
L-A	-21.0614	15.9793	-67.3985	-72.4806	39	5	0	2762	0	8	8
C-D	-51.809	-19.6052	-443.706	-515.1202	188	15	12	17694	1	21	19

Interface residues

• B-A: ALA259A, ALA259B, ALA263A, ALA263B, ALA265A, ALA265B, ALA267B, ALA313A, ALA313B, ARG236A, ARG236B, ARG99A, ARG99B, ARG9A, ARG9B, ASN103A, ASN103B, ASN276A, ASN366A, ASN366B, ASN8A, ASN8B, ASP249A, ASP249B, ASP274A, ASP274B, ASP309A, ASP309B, ASP98A, ASP98B, CYS105A, CYS105B, CYS3B, GLN256A, GLN256B, GLN316A, GLN316B, GLU257A, GLU257B, GLU269A, GLU269B, GLU311A, GLU311B, GLU314A, GLU314B, GLU368A, GLU62A, GLY100A, GLY100B, GLY102A, GLY102B, GLY104A, GLY104B, GLY106A, GLY106B, GLY109A, GLY109B, GLY111A, GLY111B, GLY254A, GLY254B, GLY258A, GLY258B, GLY28A, GLY28B, GLY318A, GLY318B, GLY5A, GLY5B, GLY7A, GLY7B, HIS261A, HIS261B, HIS317A, HIS317B, ILE308A, ILE367A, ILE367B, ILE61A, ILE61B, LEU107A, LEU107B, LEU218A, LEU218B, LEU253A, LEU253B, LEU264A, LEU264B, LYS110A, LYS110B, LYS204A, LYS204B, LYS241A, LYS241B, LYS310A, LYS310B, LYS323A, LYS323B, LYS394B, MET1A, MET1B, MET237A, MET237B, MET260A, MET260B, MET278A, MET312A, MET312B, PHE108A, PHE108B, PRO217A, PRO217B, PRO243B, PRO75A, PRO75B, SER255A, SER255B, SER262A, SER262B, SER272A, SER272B, THR239A, THR239B, THR251A, THR251B, THR268A, THR268B, THR315A, THR315B, THR319A, THR319B, THR320A, THR320B, THR365A, THR365B, THR76A, TRP101A, TRP101B, TRP206A, TRP206B, TRP391A, TRP391B, VAL250A, VAL250B, VAL252A, VAL252B, VAL321A, VAL321B, VAL322A, VAL322B, VAL324A, VAL324B, VAL364A, VAL364B, VAL4A, VAL4B, VAL6A, VAL6B, VAL96A, VAL96B, VAL97A, VAL97B
• B-C: ALA162B, ALA51C, ALA57C, ARG167B, ARG288B, ARG293B, ARG54C, ASP108C, ASP177B, ASP184B, ASP31C, GLN98C, GLU107C, GLU136B, GLU172B, GLU180B, GLY101C, GLY159B, GLY179B, GLY99C, HIS158B, HIS52C, ILE164B, LEU175B, LEU181B, LEU183B, LEU292B, LYS174B, LYS291B, LYS295B, LYS51B, LYS64C, MET163B, PHE110C, PHE32C, PRO169B, PRO176B, SER106C, SER109C, SER168B, SER170B, SER30C, SER35C, SER53C, SER56C, SER74C, THR100C, THR102C, THR103C, THR138B, THR161B, THR165B, THR182B, THR73C, TRP47C, TYR137B, TYR178B, TYR33C, TYR50C, TYR58C, TYR59C, VAL105C, VAL139B, VAL140B, VAL141B, VAL160B, VAL171B, VAL173B, VAL55C
• B-D: ALA331B, ARG293B, ARG33D, ASN360B, ASN93D, ASP177B, ASP29D, ASP51D, GLN28D, GLN91D, GLU180B, GLU2D, GLU359B, GLY179B, GLY296B, GLY69D, ILE294B, ILE30D, LEU175B, LEU292B, LEU3D, LEU97D, LYS174B, LYS291B, LYS295B, MET297B, PHE92D, PRO176B, PRO332B, PRO96D, SER27D, SER298B, SER31D, SER94D, THR300B, THR361B, TYR178B, TYR299B, TYR50D, TYR95D
• H-L: ALA131L, ALA134L, ALA135H, ALA146H, ALA147H, ALA178H, ALA44L, ALA96H, ARG143L, ARG33L, ARG38H, ARG97H, ASN138L, ASN139L, ASN159L, ASN172L, ASN35L, ASN60H, ASN93L, ASP108H, ASP111H, ASP123L, ASP154H, ASP168L, ASP171L, ASP51L, CYS135L, CYS89L, CYS95H, GLN115H, GLN125L, GLN161L, GLN167L, GLN181H, GLN38L, GLN39H, GLN39L, GLN7L, GLN90L, GLN91L, GLN98H, GLU107H, GLU124L, GLU162L, GLU166L, GLU214L, GLU46H, GLU56L, GLU6H, GLY100L, GLY101L, GLY102L, GLY104H, GLY114H, GLY116H, GLY143H, GLY144H, GLY149H, GLY172H, GLY184H, GLY42H, GLY42L, GLY44H, GLY49H, GLY99H, HIS174H, ILE118L, ILE48H, ILE49L, LEU112H, LEU126L, LEU134H, LEU136L, LEU137L, LEU148H, LEU151H, LEU176L, LEU180H, LEU180L, LEU182L, LEU185H, LEU188H, LEU199H, LEU34L, LEU37H, LEU45H, LEU47L, LEU48L, LEU55L, LEU63H, LEU92H, LEU97L, LYS118H, LYS127H, LYS127L, LYS153H, LYS170L, LYS208L, LYS219H, LYS220H, LYS40L, LYS43H, LYS43L, LYS46L, LYS64H, PHE110H, PHE117L, PHE119L, PHE132H, PHE140L, PHE176H, PHE210L, PHE92L, PHE99L, PRO120L, PRO121L, PRO133H, PRO136H, PRO177H, PRO41H, PRO41L, PRO45L, PRO61H, PRO96L, SER106H, SER109H, SER115L, SER122L, SER128L, SER130H, SER132L, SER137H, SER160L, SER163L, SER169L, SER171H, SER175L, SER177L, SER178L, SER182H, SER183H, SER187H, SER189H, SER190H, SER196H, SER209L, SER35H, SER57L, SER62H, THR130L, THR145H, THR165L, THR170H, THR173L, THR175H, THR179L, THR181L, THR193H, THR54L, THR86L, THR98L, TRP113H, TRP36L, TRP47H, TYR174L, TYR186H, TYR37L, TYR50H, TYR50L, TYR58H, TYR59H, TYR87L, TYR88L, TYR94H, TYR95L, VAL105H, VAL116L, VAL131H, VAL133L, VAL164L, VAL173H, VAL179H, VAL191H, VAL192H, VAL194H, VAL221H
• H-A: ALA162A, ALA51H, ALA57H, ARG167A, ARG288A, ARG293A, ARG54H, ASP108H, ASP177A, ASP184A, ASP31H, GLN98H, GLU107H, GLU136A, GLU172A, GLU180A, GLY101H, GLY159A, GLY179A, GLY99H, HIS158A, HIS52H, ILE164A, LEU175A, LEU181A, LEU183A, LEU292A, LYS174A, LYS291A, LYS295A, LYS51A, LYS64H, MET163A, PHE110H, PHE32H, PRO169A, PRO176A, SER106H, SER109H, SER168A, SER170A, SER30H, SER35H, SER53H, SER56H, SER74H, THR100H, THR102H, THR103H, THR138A, THR161A, THR165A, THR182A, THR73H, TRP34H, TRP47H, TYR137A, TYR178A, TYR33H, TYR50H, TYR58H, TYR59H, VAL105H, VAL139A, VAL140A, VAL141A, VAL160A, VAL171A, VAL173A, VAL55H
• L-A: ALA331A, ARG293A, ARG33L, ASN360A, ASN93L, ASP177A, ASP29L, ASP51L, GLN28L, GLN91L, GLU180A, GLU2L, GLU359A, GLY179A, GLY296A, GLY69L, ILE294A, ILE30L, LEU175A, LEU292A, LEU3L, LEU97L, LYS174A, LYS291A, LYS295A, MET297A, PHE92L, PRO176A, PRO332A, PRO96L, SER27L, SER298A, SER31L, SER94L, THR300A, THR361A, TYR178A, TYR299A, TYR95L
• C-D: ALA131D, ALA134D, ALA135C, ALA146C, ALA147C, ALA178C, ALA44D, ALA52D, ALA96C, ARG143D, ARG33D, ARG38C, ARG97C, ASN138D, ASN139D, ASN159D, ASN35D, ASN60C, ASN93D, ASP108C, ASP111C, ASP123D, ASP154C, ASP168D, ASP171D, ASP51D, CYS135D, CYS215D, CYS89D, CYS95C, GLN115C, GLN125D, GLN161D, GLN167D, GLN181C, GLN38D, GLN39C, GLN39D, GLN7D, GLN90D, GLN91D, GLN98C, GLU107C, GLU124D, GLU162D, GLU166D, GLU214D, GLU46C, GLU56D, GLU6C, GLY100D, GLY101D, GLY102D, GLY104C, GLY114C, GLY116C, GLY129D, GLY143C, GLY144C, GLY149C, GLY172C, GLY184C, GLY42C, GLY42D, GLY44C, GLY49C, GLY99C, HIS174C, ILE118D, ILE48C, ILE49D, LEU112C, LEU126D, LEU134C, LEU136D, LEU137D, LEU148C, LEU151C, LEU176D, LEU180C, LEU180D, LEU182D, LEU185C, LEU188C, LEU34D, LEU37C, LEU45C, LEU47D, LEU55D, LEU63C, LEU92C, LEU97D, LYS118C, LYS127C, LYS127D, LYS153C, LYS170D, LYS208D, LYS219C, LYS220C, LYS224C, LYS40D, LYS43C, LYS43D, LYS46D, LYS64C, PHE110C, PHE117D, PHE119D, PHE132C, PHE140D, PHE176C, PHE210D, PHE92D, PHE99D, PRO120D, PRO121D, PRO133C, PRO136C, PRO177C, PRO41C, PRO41D, PRO45D, PRO61C, PRO96D, SER106C, SER109C, SER115D, SER122D, SER128D, SER130C, SER132D, SER137C, SER138C, SER160D, SER163D, SER169D, SER171C, SER175D, SER177D, SER178D, SER182C, SER183C, SER187C, SER189C, SER190C, SER209D, SER35C, SER57D, SER62C, THR130D, THR145C, THR165D, THR170C, THR173D, THR175C, THR179D, THR181D, THR193C, THR54D, THR86D, THR98D, TRP113C, TRP36D, TRP47C, TYR174D, TYR186C, TYR33C, TYR37D, TYR50C, TYR50D, TYR58C, TYR59C, TYR87D, TYR88D, TYR94C, TYR95D, VAL105C, VAL116D, VAL131C, VAL133D, VAL164D, VAL173C, VAL179C, VAL191C, VAL192C, VAL194C, VAL221C