3M5R

crystal structure of swine flu virus ns1 effector domain from h1n1 influenza a/california/07/2009

• Total interactions analyzed: 15
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-G
  • Int. Res.: 104
  • Norm. En. per Res.: -3.453
• 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	-28.9945	8.6981	-163.543	-183.8395	69	7	0	6225	0	8	7
A-D	0.0	4.4935	-37.0918	-32.5983	35	3	1	1580	0	4	5
A-G	-60.3223	-5.2816	-293.506	-359.1098	104	15	5	11813	0	12	16
D-E	-11.1015	10.1496	-162.19	-163.1419	70	2	0	6075	0	9	6
D-G	-37.8322	11.4553	-75.6664	-102.0433	38	14	1	3726	0	2	2
F-G	-8.4635	9.6057	-157.581	-156.4388	69	7	0	6074	0	10	6

Interface residues

• A-B: ALA122A, ALA177A, ALA177B, ARG108A, ARG108B, ARG118A, ARG118B, ASN176A, ASN176B, ASN188A, ASN188B, ASN190A, ASN190B, ASP120A, ASP120B, GLN109A, GLN109B, GLN121A, GLN121B, GLU125A, GLU125B, GLU159A, GLU159B, GLU186A, GLU186B, GLY113A, GLY113B, GLY158A, GLY158B, GLY179A, GLY179B, GLY183A, GLY183B, GLY184A, GLY184B, GLY189A, GLY189B, ILE111A, ILE111B, ILE112A, ILE112B, ILE123A, ILE160A, ILE160B, ILE182A, ILE182B, LEU119A, LEU119B, LEU181A, LEU181B, LEU185A, LEU185B, LYS110A, LYS110B, MET104A, MET124A, MET124B, PRO107A, PRO107B, TRP187A, TRP187B, TRP203A, TRP203B, VAL117A, VAL117B, VAL178A, VAL178B, VAL180A, VAL180B
• A-D: ALA82A, ARG200D, ARG88D, ASN133A, ASN197D, GLN199D, GLU196D, GLU96A, GLU97A, ILE145D, ILE198D, ILE81A, LEU90D, LEU95A, MET93A, MET98A, PHE201D, PRO85A, PRO85D, SER135D, SER195D, SER83A, SER83D, SER87A, SER87D, SER91A, SER91D, SER99A, THR86A, THR86D, THR94A, TYR89A, TYR89D, VAL84A, VAL84D
• A-G: ALA132G, ALA82A, ARG140A, ARG140G, ARG193G, ARG200G, ARG88A, ARG88G, ASN133A, ASN133G, ASN139A, ASN139G, ASN197G, ASP173A, ASP173G, ASP92G, CB5.29248-24.06975, CB9.30941-2.01400, CB9.738646.38945, GLN199G, GLU142A, GLU142G, GLU172A, GLU172G, GLU196G, GLU97G, GLY168A, GLY168G, HIS169A, HIS169G, HIS78A, HIS78A5, ILE137A, ILE137G, ILE145A, ILE145G, ILE198G, ILE81A, LEU115G, LEU130G, LEU141A, LEU141G, LEU144A, LEU144G, LEU146A, LEU146G, LEU163A, LEU163G, LEU166A, LEU166G, LEU90A, LEU90G, LEU95A, LEU95G, LYS131G, MET79A, MET93G, MET98A, MET98G, PHE134A, PHE134G, PHE138A, PHE138G, PHE150G, PHE201G, PRO114A, PRO114G, PRO162A, PRO162G, PRO164G, PRO167A, PRO167G, PRO85A, PRO85G, SER135A, SER135G, SER161G, SER165A, SER165G, SER195G, SER83A, SER83G, SER87A, SER87G, SER91A, SER91G, THR143A, THR143G, THR170A, THR170G, THR80A, THR86A, THR86G, THR94G, TYR171A, TYR171G, TYR89A, TYR89G, VAL129G, VAL136A, VAL136G, VAL194G, VAL84A, VAL84G
• D-E: ALA177D, ALA177E, ARG108D, ARG108E, ARG118D, ARG118E, ASN176D, ASN176E, ASN188D, ASN188E, ASN190D, ASN190E, ASP120D, ASP120E, GLN109D, GLN109E, GLN121D, GLN121E, GLU125D, GLU125E, GLU159D, GLU159E, GLU186D, GLU186E, GLY113D, GLY113E, GLY158D, GLY158E, GLY179D, GLY179E, GLY183D, GLY183E, GLY184D, GLY184E, GLY189D, GLY189E, ILE111D, ILE111E, ILE112D, ILE112E, ILE123D, ILE123E, ILE160D, ILE160E, ILE182D, ILE182E, LEU119D, LEU119E, LEU181D, LEU181E, LEU185D, LEU185E, LYS110D, LYS110E, MET104E, MET106E, MET124D, MET124E, PRO107D, PRO107E, TRP187D, TRP187E, TRP203D, TRP203E, VAL117D, VAL117E, VAL178D, VAL178E, VAL180D, VAL180E
• D-G: ARG140D, ARG140G, ARG200D, ARG200G, ARG88D, ARG88G, ASN139D, ASN139G, ASN197D, ASN197G, GLU196D, GLU196G, ILE137G, LEU90D, LEU90G, PHE134D, PHE134G, PHE138D, PHE138G, PHE201D, PHE201G, PRO85D, PRO85G, SER135D, SER83D, SER83G, SER87D, SER87G, SER91D, SER91G, THR86D, THR86G, TYR89D, TYR89G, VAL136D, VAL136G, VAL84D, VAL84G
• F-G: ALA177F, ALA177G, ARG108F, ARG108G, ARG118F, ARG118G, ASN176F, ASN176G, ASN188F, ASN188G, ASN190F, ASN190G, ASP120F, ASP120G, GLN109F, GLN109G, GLN121F, GLN121G, GLU125F, GLU125G, GLU159F, GLU159G, GLU186F, GLU186G, GLY113F, GLY113G, GLY158F, GLY158G, GLY179F, GLY179G, GLY183F, GLY183G, GLY184F, GLY184G, GLY189F, GLY189G, ILE111F, ILE111G, ILE112F, ILE112G, ILE123G, ILE160F, ILE160G, ILE182F, ILE182G, LEU119F, LEU119G, LEU181F, LEU181G, LEU185F, LEU185G, LYS110F, LYS110G, MET124F, MET124G, PRO107F, PRO107G, THR191F, THR191G, TRP187F, TRP187G, TRP203F, TRP203G, VAL117F, VAL117G, VAL178F, VAL178G, VAL180F, VAL180G