3UC0

crystal structure of domain i 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: 9
• Strongest Interaction:
  • Chains: A-H
  • Int. Res.: 67
  • Norm. En. per Res.: -3.6423
• Hub Node: A(4)

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	0.0	0.0	-0.0011	-0.0011	2	0	0	3	0	0	1
A-H	-72.5238	12.9342	-184.447	-244.0366	67	11	4	6623	1	19	16
A-I	0.0	0.0	-4.7099	-4.7099	24	0	0	489	0	8	4
A-L	-11.0131	19.7469	-47.6223	-38.8885	25	1	0	1589	0	6	7
B-I	-70.0058	12.2448	-174.503	-232.264	69	10	4	6401	1	18	16
B-M	-13.6546	19.5317	-50.2648	-44.3878	27	1	0	1727	0	7	7
H-L	-47.4525	-6.5895	-455.312	-509.3539	177	11	13	17421	0	20	19
I-L	0.0	0.0	-0.1926	-0.1926	5	0	0	43	0	1	0
I-M	-40.8541	-6.941	-437.84	-485.6351	177	10	13	17287	0	18	19

Interface residues

• A-B: ARG2A, LEU135B
• A-H: ALA162A, ALA51H, ALA57H, ARG167A, ARG288A, ARG293A, ARG54H, ASP108H, ASP177A, ASP31H, GLN98H, GLU107H, GLU136A, GLU172A, GLU180A, GLY101H, GLY159A, GLY179A, GLY99H, HIS52H, ILE164A, ILE29H, LEU175A, LEU181A, LEU183A, LEU292A, LYS174A, LYS291A, LYS295A, MET163A, PHE110H, PHE32H, PRO169A, PRO176A, SER106H, SER109H, SER168A, SER170A, SER28H, SER30H, SER35H, SER53H, SER56H, SER74H, THR100H, THR102H, THR103H, THR138A, THR161A, THR165A, THR182A, THR73H, TRP34H, TRP47H, TYR137A, TYR178A, TYR33H, TYR50H, TYR58H, TYR59H, VAL139A, VAL140A, VAL141A, VAL160A, VAL171A, VAL173A, VAL55H
• A-I: ALA35A, ARG9A, ASN76I, ASP10A, GLN115I, GLN36A, GLN3I, GLU1I, GLY26I, GLY27I, GLY296A, GLY37A, HIS144A, ILE294A, LEU5I, LYS295A, LYS38A, LYS75I, PRO39A, SER25I, SER28I, SER74I, THR23I, THR40A
• A-L: ARG293A, ARG33L, ASN93L, ASP177A, ASP29L, ASP51L, GLN28L, GLN91L, GLU180A, GLY179A, ILE294A, ILE30L, LEU175A, LEU292A, LEU97L, LYS174A, LYS291A, LYS295A, PHE92L, PRO176A, PRO96L, SER31L, SER94L, TYR178A, TYR95L
• B-I: ALA162B, ALA51I, ALA57I, ARG167B, ARG288B, ARG293B, ARG54I, ASN157B, ASP108I, ASP177B, ASP31I, GLN98I, GLU107I, GLU136B, GLU172B, GLU180B, GLY101I, GLY159B, GLY179B, GLY99I, HIS158B, HIS52I, ILE164B, LEU175B, LEU181B, LEU183B, LEU292B, LYS174B, LYS291B, LYS295B, LYS64I, MET163B, PHE110I, PHE32I, PRO169B, PRO176B, SER106I, SER109I, SER156B, SER168B, SER170B, SER30I, SER35I, SER53I, SER56I, THR100I, THR102I, THR103I, THR138B, THR155B, THR161B, THR165B, THR182B, THR73I, TRP34I, TRP47I, TYR137B, TYR178B, TYR33I, TYR50I, TYR58I, TYR59I, VAL139B, VAL140B, VAL141B, VAL160B, VAL171B, VAL173B, VAL55I
• B-M: ARG293B, ARG33M, ASN93M, ASP177B, ASP29M, ASP51M, GLN28M, GLN91M, GLU180B, GLY179B, GLY296B, ILE294B, ILE30M, LEU175B, LEU292B, LEU97M, LYS174B, LYS291B, LYS295B, PHE92M, PRO176B, PRO96M, SER31M, SER94M, THR155B, TYR178B, TYR95M
• H-L: ALA131L, ALA134L, ALA135H, ALA146H, ALA147H, ALA178H, ALA44L, ALA52L, ALA96H, ARG143L, ARG33L, ARG38H, ARG97H, ASN138L, ASN139L, ASN159L, ASN35L, ASN60H, ASN93L, ASP108H, ASP111H, ASP123L, ASP154H, ASP168L, ASP171L, ASP51L, CYS135L, CYS89L, CYS95H, GLN115H, GLN125L, GLN161L, GLN167L, GLN181H, GLN39H, GLN39L, GLN90L, GLN91L, GLN98H, GLU107H, GLU124L, GLU162L, GLU166L, GLU2L, GLU46H, GLU56L, GLU6H, GLY100L, GLY101L, GLY102L, GLY104H, GLY114H, GLY116H, GLY149H, GLY158L, GLY172H, GLY184H, GLY42L, GLY44H, GLY49H, GLY99H, HIS174H, ILE118L, ILE48H, ILE49L, LEU112H, LEU126L, LEU134H, LEU136L, LEU137L, LEU148H, LEU151H, LEU176L, LEU180H, LEU180L, LEU182L, LEU185H, LEU188H, LEU34L, LEU37H, LEU45H, LEU47L, LEU48L, LEU55L, LEU63H, LEU92H, LEU97L, LYS118H, LYS127L, LYS153H, LYS170L, LYS219H, LYS220H, LYS40L, LYS43H, LYS43L, LYS46L, PHE110H, PHE117L, PHE119L, PHE132H, PHE140L, PHE176H, PHE92L, PHE99L, PRO120L, PRO121L, PRO133H, PRO136H, PRO177H, PRO41H, PRO41L, PRO45L, PRO61H, PRO96L, SER106H, SER109H, SER115L, SER122L, SER128L, SER130H, SER132L, SER160L, SER163L, SER169L, SER171H, SER175L, SER177L, SER178L, SER182H, SER183H, SER187H, SER189H, SER190H, SER196H, SER35H, SER40H, SER57L, SER62H, SER94L, THR130L, THR145H, THR165L, THR170H, THR173L, THR175H, THR179L, THR181L, THR193H, THR54L, THR86L, THR98L, TRP113H, TRP36L, TRP47H, TYR174L, TYR186H, TYR37L, TYR50H, TYR50L, TYR58H, TYR59H, TYR88L, TYR94H, TYR95L, VAL105H, VAL116L, VAL131H, VAL133L, VAL164L, VAL173H, VAL179H, VAL191H, VAL192H, VAL194H, VAL221H, VAL59L
• I-L: GLN4L, LYS146L, LYS211I, LYS216I, THR203I
• I-M: ALA131M, ALA134M, ALA135I, ALA146I, ALA147I, ALA178I, ALA44M, ALA52M, ALA96I, ARG143M, ARG33M, ARG38I, ARG97I, ASN138M, ASN139M, ASN35M, ASN60I, ASN93M, ASP108I, ASP111I, ASP123M, ASP154I, ASP168M, ASP171M, ASP51M, CYS135M, CYS89M, CYS95I, GLN115I, GLN125M, GLN161M, GLN167M, GLN181I, GLN39I, GLN39M, GLN90M, GLN91M, GLN98I, GLU107I, GLU124M, GLU162M, GLU166M, GLU2M, GLU46I, GLU56M, GLU6I, GLY100M, GLY101M, GLY102M, GLY104I, GLY114I, GLY116I, GLY149I, GLY172I, GLY42M, GLY44I, GLY49I, GLY99I, HIS174I, ILE118M, ILE48I, ILE49M, LEU112I, LEU126M, LEU134I, LEU136M, LEU137M, LEU148I, LEU151I, LEU176M, LEU180I, LEU180M, LEU182M, LEU185I, LEU188I, LEU34M, LEU37I, LEU45I, LEU47M, LEU48M, LEU55M, LEU63I, LEU92I, LEU97M, LYS118I, LYS127M, LYS153I, LYS170M, LYS219I, LYS220I, LYS40M, LYS43I, LYS43M, LYS46M, PHE110I, PHE117M, PHE119M, PHE132I, PHE140M, PHE176I, PHE210M, PHE92M, PHE99M, PRO120M, PRO121M, PRO133I, PRO136I, PRO177I, PRO41I, PRO41M, PRO45M, PRO61I, PRO96M, SER106I, SER109I, SER115M, SER122M, SER128M, SER130I, SER132M, SER137I, SER160M, SER163M, SER169M, SER171I, SER175M, SER177M, SER178M, SER182I, SER183I, SER187I, SER189I, SER190I, SER196I, SER209M, SER35I, SER40I, SER57M, SER62I, SER94M, THR130M, THR145I, THR165M, THR170I, THR173M, THR175I, THR179M, THR181M, THR193I, THR54M, THR86M, THR98M, TRP113I, TRP36I, TRP36M, TRP47I, TYR174M, TYR186I, TYR37M, TYR50I, TYR50M, TYR58I, TYR59I, TYR88M, TYR94I, TYR95M, VAL105I, VAL116M, VAL131I, VAL133M, VAL164M, VAL173I, VAL179I, VAL191I, VAL192I, VAL194I, VAL221I