2QPQ

structure of bug27 from bordetella pertussis

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 86
  • Norm. En. per Res.: -2.1405
• Hub Node: A(2)

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	-17.4124	-16.0208	-85.3235	-118.7567	67	4	1	4244	1	14	16
A-C	-20.4779	0.0	-163.607	-184.0849	86	12	3	6378	0	9	20
B-C	0.0	0.0	-1.7073	-1.7073	20	0	0	302	0	7	7

Interface residues

• A-B: ALA122B, ALA168A, ALA187A, ALA217B, ALA222B, ALA291B, ARG206B, ARG27A, ARG288B, ASN170A, ASN45A, ASP171A, ASP23A, CYS165A, GLN176A, GLN219B, GLU119B, GLU205B, GLU218B, GLU225B, GLU44A, GLY118B, GLY164A, GLY166A, GLY174A, GLY19A, GLY20A, GLY220B, GLY223B, ILE177A, LEU117B, LEU169A, LEU173A, LEU196A, LEU226B, LEU266A, LYS115B, LYS125B, LYS154B, LYS163A, LYS195A, LYS204B, LYS262A, LYS280B, MET121B, MET24A, PHE190A, PRO167A, PRO17A, PRO189A, PRO18A, PRO211B, PRO214B, SER152B, SER175A, SER186A, SER203B, THR116B, THR202B, THR215B, TYR162A, TYR224B, VAL172A, VAL182A, VAL216B, VAL221B, VAL43A
• A-C: ALA168A, ALA168C, ALA49A, ARG83A, ARG83C, ASN128A, ASN128C, ASN138A, ASN138C, ASP171A, ASP171C, ASP301A, ASP301C, CYS136A, CYS136C, GLN126A, GLN126C, GLN130A, GLN130C, GLN176A, GLN176C, GLN295A, GLN295C, GLY134A, GLY134C, GLY137A, GLY137C, GLY139A, GLY139C, GLY164A, GLY164C, GLY297A, GLY297C, HIS143A, HIS143C, HIS156A, HIS156C, HIS159A, HIS159C, ILE177A, ILE177C, ILE296A, ILE296C, LEU292C, LEU298A, LEU298C, LYS163A, LYS163C, LYS294A, LYS294C, LYS299A, LYS299C, MET157A, MET157C, PRO161A, PRO161C, PRO167A, PRO167C, SER135A, SER135C, SER50A, SER50C, THR127A, THR127C, THR129A, THR129C, THR132A, THR132C, THR140A, THR140C, THR293A, THR293C, TYR133A, TYR133C, TYR162A, TYR162C, VAL131A, VAL131C, VAL151A, VAL151C, VAL158A, VAL158C, VAL160A, VAL160C, VAL300A, VAL300C
• B-C: ALA123C, ALA271B, ARG206B, GLN126C, GLN130C, GLN255B, GLN260B, GLU119C, GLU205B, GLU212B, GLU218B, GLY111C, LYS113C, LYS115C, LYS204B, PRO211B, SER272B, THR129C, THR270B, TYR247B