3RKD

hepatitis e virus e2s domain (genotype i) in complex with a neutralizing antibody

• Total interactions analyzed: 15
• Total true interactions: 11
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 66
  • Norm. En. per Res.: -3.304
• 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
A-L	0.0	0.0	-87.6754	-87.6754	41	2	1	3196	0	1	1
A-H	-9.1057	-39.3827	-153.1	-201.5883	67	9	3	6104	3	19	15
B-H	0.0	0.0	-0.0021	-0.0021	2	0	0	3	0	1	1
B-C	0.0	0.0	-91.0655	-91.0655	41	2	1	3202	0	1	1
B-D	-21.8569	-38.8159	-157.39	-218.0628	66	8	3	6082	3	19	15
L-H	-24.2781	-22.4808	-503.524	-550.2829	191	27	14	19168	2	16	12
L-C	0.0	2.7515	-1.2125	1.5389	12	0	0	126	0	5	6
L-D	0.0	0.0	-1.8701	-1.8701	16	0	0	243	0	0	1
H-C	0.0	0.0	-0.0054	-0.0054	2	0	0	3	0	0	0
H-D	-24.0362	2.1342	-76.5169	-98.4188	103	16	0	5108	0	7	3
C-D	-37.3856	-22.0506	-500.925	-560.3612	195	11	15	19079	2	16	12

Interface residues

• A-L: ALA477A, ALA478A, ALA509A, ALA511A, ARG512A, ARG578A, ASN32L, ASN94L, ASP1L, ASP496A, GLN508A, GLU27L, GLU479A, GLY591A, GLY93L, HIS90L, ILE28L, ILE29L, ILE2L, LEU33L, LEU475A, LEU500A, PHE91L, PRO592A, PRO95L, SER31L, SER474A, SER495A, SER497A, SER50L, SER513A, SER594A, THR476A, THR499A, TRP92L, TRP96L, TYR30L, VAL498A, VAL501A, VAL510A, VAL593A
• A-H: ALA110H, ALA477A, ALA478A, ALA511A, ALA574A, ALA575A, ALA590A, ARG512A, ARG578A, ARG60H, ASN573A, ASP108H, ASP481A, ASP496A, ASP515A, ASP56H, ASP57H, GLU479A, GLU572A, GLY107H, GLY33H, GLY35H, GLY576A, GLY591A, HIS52H, HIS532A, HIS577A, ILE100H, ILE104H, LEU514A, LYS101H, LYS518A, LYS534A, LYS59H, LYS66H, MET34H, PHE537A, PRO592A, PRO63H, SER102H, SER32H, SER483A, SER495A, SER497A, SER513A, SER533A, SER62H, THR105H, THR106H, THR31H, THR484A, THR517A, THR535A, TRP49H, TRP516A, TRP54H, TRP55H, TYR109H, TYR480A, TYR485A, TYR493A, TYR61H, VAL103H, VAL494A, VAL510A, VAL58H, VAL593A
• B-H: ALA575B, SER167H
• B-C: ALA477B, ALA478B, ALA509B, ALA511B, ARG512B, ARG578B, ASN32C, ASN94C, ASP1C, ASP496B, GLN508B, GLU27C, GLU479B, GLY591B, GLY93C, HIS90C, ILE28C, ILE29C, ILE2C, LEU33C, LEU475B, LEU500B, PHE91C, PRO592B, PRO95C, SER31C, SER474B, SER495B, SER497B, SER50C, SER513B, SER594B, THR476B, THR499B, TRP92C, TRP96C, TYR30C, VAL498B, VAL501B, VAL510B, VAL593B
• B-D: ALA110D, ALA477B, ALA478B, ALA511B, ALA574B, ALA575B, ALA590B, ALA64D, ARG512B, ARG578B, ARG60D, ASN573B, ASP108D, ASP481B, ASP496B, ASP515B, ASP56D, ASP57D, GLU479B, GLU572B, GLY107D, GLY33D, GLY35D, GLY576B, GLY591B, HIS52D, HIS532B, HIS577B, ILE100D, ILE104D, LEU514B, LYS101D, LYS518B, LYS534B, LYS59D, LYS66D, MET34D, PHE537B, PRO592B, PRO63D, SER102D, SER32D, SER483B, SER495B, SER497B, SER513B, SER533B, SER62D, THR105D, THR106D, THR31D, THR484B, THR517B, TRP49D, TRP516B, TRP54D, TRP55D, TYR109D, TYR480B, TYR485B, TYR493B, TYR61D, VAL103D, VAL494B, VAL510B, VAL58D
• L-H: ALA110H, ALA130L, ALA136H, ALA179H, ALA34L, ALA51H, ALA51L, ALA55L, ALA64H, ALA98H, ARG224H, ARG40H, ARG60H, ARG99H, ASN137L, ASN138L, ASN161L, ASN210L, ASN32L, ASN53L, ASN94L, ASP108H, ASP112H, ASP165L, ASP167L, ASP170L, ASP1L, CYS134L, CYS151H, CYS88L, CYS97H, GLN116H, GLN124L, GLN166L, GLN182H, GLN37L, GLN38L, GLN40L, GLN41H, GLN45L, GLN89L, GLU123L, GLU213L, GLU48H, GLU56L, GLU6H, GLY100L, GLY101L, GLY107H, GLY115H, GLY117H, GLY129L, GLY138H, GLY150H, GLY158L, GLY173H, GLY35H, GLY37H, GLY41L, GLY44H, GLY46H, GLY93L, GLY99L, HIS175H, HIS52H, HIS90L, ILE100H, ILE117L, ILE221H, ILE39H, LEU111H, LEU125L, LEU135H, LEU136L, LEU149H, LEU152H, LEU160L, LEU179L, LEU181H, LEU181L, LEU185H, LEU188H, LEU33L, LEU46L, LEU47H, LEU47L, LEU50H, LEU65H, LYS101H, LYS103L, LYS154H, LYS169L, LYS207L, LYS219H, LYS220H, LYS42L, LYS45H, LYS59H, LYS66H, MET146H, MET175L, PHE118L, PHE135L, PHE139L, PHE177H, PHE209L, PHE91L, PHE98L, PRO119L, PRO120L, PRO134H, PRO137H, PRO178H, PRO42H, PRO44L, PRO63H, PRO95L, SER102H, SER116L, SER121L, SER122L, SER127L, SER131H, SER131L, SER162L, SER168L, SER172H, SER174L, SER176L, SER177L, SER183H, SER189H, SER190H, SER191H, SER208L, SER31L, SER43H, SER43L, SER50L, SER62H, SER85L, THR106H, THR114L, THR126L, THR148H, THR164L, THR172L, THR176H, THR178L, THR180L, THR187H, THR193H, THR52L, THR94H, THR97L, TRP114H, TRP163L, TRP165H, TRP199H, TRP35L, TRP38H, TRP49H, TRP54H, TRP92L, TRP96L, TYR109H, TYR113H, TYR133H, TYR173L, TYR186H, TYR186L, TYR36L, TYR49L, TYR61H, TYR86L, TYR87L, TYR96H, VAL103H, VAL115L, VAL132H, VAL132L, VAL133L, VAL147H, VAL153H, VAL159L, VAL174H, VAL180H, VAL192H, VAL222H, VAL36H, VAL48L
• L-C: GLN79L, GLU56C, GLU56L, GLU81C, GLU81L, GLY57C, GLY57L, LYS169C, LYS169L, LYS39C, SER168L, SER80C
• L-D: ASP165L, GLN116D, GLN1D, GLN40L, GLN45L, GLU56L, GLY41L, LEU4D, LYS42L, LYS5D, SER168L, SER171D, SER43L, THR3D, TYR113D, VAL2D
• H-C: GLU56C, SER172H
• H-D: ALA209D, ALA209H, ALA212D, ALA212H, ARG99D, ARG99H, ASN166H, ASN207H, ASP74D, GLN116D, GLN116H, GLN1D, GLN1H, GLN79D, GLU159D, GLU6D, GLU6H, GLY115H, GLY117H, GLY168D, GLY168H, GLY26D, GLY26H, GLY33D, GLY8D, HIS210D, HIS210H, ILE104D, ILE104H, LEU29D, LEU29H, LEU4D, LEU4H, LYS101D, LYS101H, LYS216D, LYS216H, LYS5D, LYS5H, LYS73H, MET34D, MET34H, PHE24D, PHE24H, PHE27D, PHE27H, PRO158D, PRO158H, PRO160D, PRO160H, PRO178H, PRO211D, PRO211H, SER102D, SER119D, SER167D, SER167H, SER169H, SER171H, SER213D, SER213H, SER214D, SER214H, SER23D, SER25D, SER25H, SER28D, SER28H, SER30D, SER30H, SER32D, SER32H, SER76D, SER76H, SER77D, SER78D, SER78H, SER7D, THR105D, THR118D, THR127H, THR162D, THR162H, THR164D, THR164H, THR176H, THR215D, THR215H, THR21D, THR31D, THR31H, THR3D, THR3H, THR75D, TRP165H, TRP55D, VAL103D, VAL103H, VAL161D, VAL161H, VAL163H, VAL208H, VAL2H
• C-D: ALA110D, ALA130C, ALA136D, ALA179D, ALA34C, ALA51C, ALA51D, ALA55C, ALA64D, ALA98D, ARG211C, ARG224D, ARG40D, ARG60D, ARG99D, ASN137C, ASN138C, ASN161C, ASN210C, ASN32C, ASN53C, ASN94C, ASP108D, ASP112D, ASP165C, ASP167C, ASP170C, ASP1C, CYS134C, CYS151D, CYS88C, CYS97D, GLN116D, GLN124C, GLN166C, GLN182D, GLN37C, GLN38C, GLN40C, GLN41D, GLN45C, GLN89C, GLU123C, GLU213C, GLU48D, GLU56C, GLU6D, GLY100C, GLY101C, GLY107D, GLY115D, GLY117D, GLY128C, GLY129C, GLY138D, GLY150D, GLY158C, GLY173D, GLY35D, GLY37D, GLY41C, GLY44D, GLY46D, GLY93C, GLY99C, HIS175D, HIS52D, HIS90C, ILE100D, ILE117C, ILE221D, ILE39D, LEU111D, LEU125C, LEU135D, LEU136C, LEU149D, LEU152D, LEU160C, LEU179C, LEU181C, LEU181D, LEU185D, LEU188D, LEU33C, LEU46C, LEU47C, LEU47D, LEU50D, LEU65D, LYS101D, LYS103C, LYS154D, LYS169C, LYS207C, LYS219D, LYS220D, LYS39C, LYS42C, LYS45D, LYS59D, LYS66D, MET146D, MET175C, PHE118C, PHE135C, PHE139C, PHE177D, PHE209C, PHE91C, PHE98C, PRO119C, PRO120C, PRO134D, PRO137D, PRO178D, PRO44C, PRO63D, PRO95C, SER102D, SER116C, SER121C, SER122C, SER127C, SER131C, SER131D, SER162C, SER168C, SER171D, SER172D, SER174C, SER176C, SER177C, SER183D, SER189D, SER190D, SER191D, SER208C, SER31C, SER43C, SER43D, SER50C, SER62D, SER85C, THR106D, THR114C, THR118D, THR126C, THR148D, THR164C, THR172C, THR176D, THR178C, THR180C, THR187D, THR193D, THR52C, THR94D, THR97C, TRP114D, TRP163C, TRP165D, TRP199D, TRP35C, TRP38D, TRP49D, TRP54D, TRP92C, TRP96C, TYR109D, TYR113D, TYR133D, TYR173C, TYR186C, TYR186D, TYR36C, TYR49C, TYR61D, TYR86C, TYR87C, TYR96D, VAL103D, VAL115C, VAL132C, VAL132D, VAL133C, VAL147D, VAL153D, VAL159C, VAL174D, VAL180D, VAL192D, VAL222D, VAL36D, VAL48C