3P39

crystal structure of the ns1 effector domain w182a mutant from influenza a/vietnam/1203/2004 (h5n1) virus

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 68
  • Norm. En. per Res.: -3.5333
• 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	-56.1557	-12.7702	-147.839	-216.7649	62	12	1	6269	0	13	12
A-D	0.0	17.3447	-88.1671	-70.8224	57	7	5	4945	0	11	11
A-F	0.0	26.7693	-83.7542	-56.9849	38	2	0	3660	0	11	13
B-C	0.0	25.8943	-67.1583	-41.264	50	2	4	4104	0	11	13
B-D	0.0	3.7582	-0.0444	3.7139	7	0	0	12	0	4	7
B-F	0.0	24.1286	-1.9923	22.1363	2	0	0	48	0	3	5
C-D	-57.1633	-30.6319	-152.469	-240.2642	68	8	1	6422	0	12	13
C-E	0.0	27.9688	-85.3507	-57.3819	34	4	0	3548	0	11	12
D-E	0.0	29.4479	-3.803	25.645	5	0	0	119	0	6	5

Interface residues

• A-B: ALA127A, ALA127B, ALA81A, ALA81B, ARG143A, ARG143B, ARG195A, ARG195B, ARG83A, ARG83B, ARG95A, ARG95B, ASN128A, ASN128B, ASP134A, ASP134B, ASP87A, ASP87B, GLU191A, GLU191B, GLU91A, GLU91B, GLU92A, GLU92B, ILE140A, ILE140B, ILE193A, ILE193B, LEU136A, LEU136B, LEU141A, LEU141B, LEU85A, LEU85B, LEU90A, LEU90B, LYS126A, LYS126B, MET88A, MET88B, MET93A, MET93B, PHE129A, PHE129B, SER130A, SER130B, SER82A, SER82B, SER94A, SER94B, THR190A, THR190B, THR192A, THR192B, THR86A, THR86B, THR89A, THR89B, TYR84A, TYR84B, VAL131A, VAL131B
• A-D: ALA117A, ALA117D, ARG143A, ARG143D, ARG95D, ASP115A, ASP96A, ASP96D, CYS111A, CYS111D, GLN104A, GLN104D, GLN116D, GLU154A, GLU154D, ILE112A, ILE112D, ILE155D, LEU100A, LEU100D, LEU141D, LEU158A, LEU158D, LEU161A, LEU161D, LYS103A, LYS103D, LYS105A, LYS105D, LYS113A, LYS113D, MET101A, MET101D, MET114A, MET114D, MET99A, MET99D, PHE98A, PHE98D, PRO102A, PRO102D, PRO157A, PRO157D, PRO159A, PRO159D, PRO162D, SER109D, SER156A, SER156D, SER160A, SER160D, SER94A, SER94D, TRP97A, TRP97D, VAL106A, VAL106D
• A-F: ALA197F, ALA81A, ARG135A, ARG135F, ARG188F, ARG195F, ARG199A, ARG199F, ARG83A, ASN171F, ASP134A, ASP134F, CB9.068421.26378, GLN194F, GLU137A, GLU191F, GLY174F, ILE132A, ILE173F, ILE177F, ILE193F, LEU125F, LEU136A, LEU142F, LYS170F, LYS78A, LYS78A5, MET79A, PHE133A, PHE196F, PRO80A, SER130A, THR138A, THR190F, THR192F, TRP198F, VAL169F, VAL189F
• B-C: ARG143B, ARG143C, ARG95B, ARG95C, ASP96B, ASP96C, CYS111B, CYS111C, GLN104B, GLN104C, GLU154B, GLU154C, ILE112B, ILE112C, LEU100B, LEU100C, LEU141B, LEU158B, LEU158C, LEU161B, LEU161C, LYS103B, LYS103C, LYS105B, LYS105C, LYS113B, LYS113C, MET101B, MET101C, MET114B, MET99B, MET99C, PHE98B, PHE98C, PRO102B, PRO102C, PRO157B, PRO157C, PRO159B, PRO159C, SER156B, SER156C, SER160B, SER160C, SER94B, SER94C, TRP97B, TRP97C, VAL106B, VAL106C
• B-D: ASP96B, ASP96D, GLU91B, GLU91D, LEU90D, SER94B, SER94D
• B-F: GLU191B, GLU191F
• C-D: ALA127C, ALA127D, ALA81C, ALA81D, ARG143C, ARG143D, ARG188C, ARG195C, ARG195D, ARG83C, ARG83D, ARG95C, ARG95D, ASN128C, ASN128D, ASP134C, ASP134D, ASP87C, ASP87D, GLN194C, GLN194D, GLU191C, GLU191D, GLU91C, GLU91D, GLU92C, GLU92D, ILE124C, ILE140C, ILE140D, ILE193C, ILE193D, LEU136C, LEU136D, LEU141C, LEU141D, LEU85C, LEU85D, LEU90C, LEU90D, LYS126C, LYS126D, MET88C, MET88D, MET93C, MET93D, PHE129C, PHE129D, PHE133C, PHE196C, SER130C, SER130D, SER82C, SER82D, SER94C, SER94D, THR190C, THR190D, THR192C, THR192D, THR86C, THR86D, THR89C, THR89D, TYR84C, TYR84D, VAL131C, VAL131D
• C-E: ALA197E, ALA81C, ARG135C, ARG135E, ARG188E, ARG195E, ARG199C, ARG199E, ARG83C, ASP134C, ASP134E, GLN194E, GLU137C, GLU181E, GLU191E, GLY174E, ILE124E, ILE132C, ILE173E, ILE177E, ILE193E, LEU125E, LEU136C, LYS170E, LYS78C, MET79C, PHE133C, PHE196E, PRO80C, THR190E, THR192E, TRP198E, VAL187E, VAL189E
• D-E: ARG188D, ARG188E, GLU191D, GLU191E, ILE124E