3P31

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

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 52
  • Norm. En. per Res.: -3.0699
• 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	-3.5508	-18.0992	-137.058	-158.708	60	1	0	4884	2	12	6
A-C	0.0	0.0	-0.5385	-0.5385	7	0	0	83	0	3	2
A-D	-4.9558	-16.1909	-138.489	-159.6357	52	3	1	6097	1	22	19
B-C	0.0	-12.9949	-144.439	-157.4339	52	3	1	5787	2	24	21
B-D	0.0	0.0	-0.4643	-0.4643	7	0	0	86	0	3	2
C-D	-25.9807	-28.7834	-129.259	-184.0231	62	11	0	4886	2	14	9

Interface residues

• A-B: ALA107A, ALA107B, ALA172A, ALA172B, ASN183A, ASN183B, ASN185A, ASN185B, ASP184A, ASP184B, GLN104A, GLN104B, GLN116A, GLN116B, GLU154A, GLU154B, GLU181A, GLU181B, GLY108A, GLY108B, GLY153A, GLY153B, GLY174A, GLY174B, GLY178A, GLY178B, GLY179A, GLY179B, ILE112A, ILE112B, ILE155A, ILE155B, ILE173A, ILE177A, ILE177B, LEU176A, LEU176B, LEU180A, LEU180B, LYS103A, LYS103B, LYS105A, LYS105B, LYS113A, LYS113B, MET101A, MET101B, MET114A, MET114B, MET119A, MET119B, MET99A, PRO102A, PRO102B, TRP182A, TRP182B, VAL106A, VAL106B, VAL175A, VAL175B
• A-C: ASP202C, GLN104A, GLN116A, LYS103A, MET101A, PRO102A, SER201C
• A-D: ALA117A, ALA144A, ALA150A, ALA197D, ARG135D, ARG195D, ARG199D, ARG95A, ASN171D, ASN183A, ASN200D, ASP115A, ASP134D, ASP168D, ASP202D, ASP96A, GLN116A, GLN194D, GLU137D, GLU147A, GLU148A, GLU167D, GLU91A, GLU92A, GLY149A, GLY153A, GLY166D, ILE118A, ILE132D, ILE151A, ILE173D, ILE193D, LEU100A, LEU136D, LYS121A, LYS170D, MET101A, MET114A, MET119A, MET99A, PHE133D, PHE145A, PHE196D, PHE98A, PRO102A, SER201D, THR146A, THR165D, TRP198D, TRP97A, VAL152A, VAL169D
• B-C: ALA117B, ALA150B, ALA197C, ARG135C, ARG195C, ARG199C, ARG83C, ARG95B, ASN171C, ASN183B, ASN200C, ASP115B, ASP120B, ASP134C, ASP168C, ASP202C, ASP96B, GLN116B, GLN194C, GLU137C, GLU147B, GLU148B, GLU167C, GLU91B, GLU92B, GLY149B, GLY166C, ILE118B, ILE132C, ILE151B, ILE173C, ILE193C, LEU100B, LEU136C, LYS121B, LYS170C, MET101B, MET119B, MET99B, PHE133C, PHE145B, PHE196C, PHE98B, PRO102B, SER201C, THR146B, THR165C, TRP198C, TRP97B, VAL131C, VAL152B, VAL169C
• B-D: ASP202D, GLN104B, GLN116B, LYS103B, MET101B, PRO102B, SER201D
• C-D: ALA107C, ALA107D, ALA172C, ALA172D, ASN171D, ASN183C, ASN183D, ASN185C, ASN185D, ASP184C, ASP184D, ASP202C, CYS111D, GLN104C, GLN104D, GLN116C, GLN116D, GLU154C, GLU154D, GLU181C, GLU181D, GLY108C, GLY108D, GLY153C, GLY174C, GLY174D, GLY178C, GLY178D, GLY179C, GLY179D, ILE112C, ILE112D, ILE155C, ILE155D, ILE177C, ILE177D, LEU176C, LEU176D, LEU180C, LEU180D, LYS103C, LYS103D, LYS105C, LYS105D, LYS113C, LYS113D, LYS170D, MET101C, MET101D, MET114C, MET114D, MET99C, PRO102C, PRO102D, SER201C, SER201D, TRP182C, TRP182D, VAL106C, VAL106D, VAL175C, VAL175D