2OAN

structure of oxidized beta-actin

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 52
  • Norm. En. per Res.: -1.723
• Hub Node: B(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	-3.5901	-0.7865	-71.1572	-75.5338	65	4	0	3533	0	34	19
B-C	-17.9807	-8.6624	-62.9516	-89.5947	52	4	0	2927	0	31	13
B-D	-4.1999	-6.4306	573.472	562.8416	90	7	0	5733	0	21	22
C-D	0.0	15.0289	-25.9313	-10.9024	37	0	0	1404	0	12	15

Interface residues

• A-B: ALA114A, ALA170A, ALA174A, ALA228B, ALA230B, ALA231B, ALA319B, ALA321B, ARG116A, ARG177A, ARG183A, ARG206A, ASN111A, ASN115A, ASP179A, ASP184A, ASP187A, ASP222B, ASP286A, ASP311B, CYS285A, GLN225B, GLN263B, GLN314B, GLU224B, GLU226B, GLU270A, GLU276B, GLU316B, GLU72A, GLY268A, HIS161A, HIS173A, HIS73A, ILE175A, ILE327B, LEU110A, LEU171A, LEU176A, LEU178A, LEU221B, LEU236B, LEU320B, LYS113A, LYS191A, LYS284A, LYS315B, LYS326B, MET227B, MET269A, PHE223B, PHE266B, PRO109A, PRO112A, PRO164A, PRO172A, SER232B, SER233B, SER265B, SER281A, SER323B, THR229B, THR318B, THR324B, THR77A
• B-C: ALA114B, ALA174B, ALA228C, ALA230C, ALA231C, ALA319C, ALA321C, ARG116B, ARG177B, ASN111B, ASN115B, ASP179B, ASP187B, ASP222C, CYS285B, GLN225C, GLN263C, GLN314C, GLU224C, GLU226C, GLU270B, GLU316C, GLU72B, HIS161B, HIS173B, HIS73B, ILE175B, ILE75B, LEU110B, LEU171B, LEU176B, LEU236C, LEU320C, LYS113B, LYS284B, LYS315C, MET227C, PHE223C, PHE266C, PRO109B, PRO112B, PRO172B, SER232C, SER233C, SER235C, SER281B, SER323C, THR162B, THR229C, THR318C, THR77B, TYR69B
• B-D: ALA170B, ALA170D, ALA174D, ARG116B, ARG372B, ARG372D, ASP286B, ASP286D, ASP288B, ASP288D, CYS285B, CYS285D, CYS374B, CYS374D, GLN353B, GLN353D, GLN354B, GLN354D, GLU117D, GLU167B, GLU167D, GLU361B, GLU361D, GLU364B, GLU364D, GLY146D, GLY168B, GLY168D, GLY366D, HIS173B, HIS173D, HIS371B, HIS371D, ILE136D, ILE165B, ILE175D, ILE289B, ILE289D, ILE345B, ILE345D, ILE357D, ILE369B, ILE369D, LEU110D, LEU171B, LEU171D, LEU293B, LEU346B, LEU346D, LEU349B, LEU349D, LYS113B, LYS113D, LYS284B, LYS373B, LYS373D, MET355B, MET355D, PHE352B, PHE352D, PHE375D, PRO164B, PRO172B, PRO172D, PRO367D, SER348B, SER350B, SER350D, SER365B, SER365D, SER368B, SER368D, THR148B, THR148D, THR149B, THR351B, THR351D, TRP356B, TYR133B, TYR133D, TYR143B, TYR143D, TYR166B, TYR166D, TYR169B, TYR169D, VAL287B, VAL287D, VAL370B, VAL370D
• C-D: ALA228C, ALA230C, ALA231C, ARG196C, ARG256C, ARG372D, ASN128D, ASN252C, ASP363D, GLN353D, GLN354D, GLN360D, GLU195C, GLU253C, GLU361D, GLU364D, GLU99D, GLY197C, ILE192C, LEU349D, LYS191C, LYS359D, MET227C, MET355D, PHE223C, PHE266C, PHE352D, PRO130D, SER232C, SER233C, SER234C, SER350D, SER358D, THR194C, THR351D, TRP356D, TYR188C