3MN6

structures of actin-bound wh2 domains of spire and the implication for filament nucleation

• Total interactions analyzed: 15
• Total true interactions: 10
• Strongest Interaction:
  • Chains: A-X
  • Int. Res.: 52
  • Norm. En. per Res.: -1.7516
• 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-F	0.0	-19.6047	-7.0084	-26.6132	21	0	0	767	0	10	10
A-K	-8.5663	13.5005	-13.7599	-8.8256	19	0	0	659	0	6	9
A-X	-21.8906	0.0	-69.1913	-91.0819	52	2	0	3983	0	0	0
F-K	0.0	-18.9953	-7.3301	-26.3255	20	0	0	750	0	10	9
F-X	0.0	0.0	-4.1773	-4.1773	11	0	0	294	0	0	0
F-Y	-21.3153	0.0	-65.7455	-87.0608	52	2	0	3896	0	0	0
K-Y	0.0	0.0	-3.9965	-3.9965	11	0	0	304	0	0	0
K-Z	-19.3401	0.0	-66.9271	-86.2672	52	2	0	3885	0	0	0
X-Y	0.0	0.0	-0.0348	-0.0348	6	0	0	24	0	0	0
Y-Z	0.0	0.0	-0.1215	-0.1215	6	0	0	41	0	0	0

Interface residues

• A-F: ALA331A, ALA97F, ARG147A, ARG95F, ASN92F, ASP25A, GLU100F, GLU334A, GLU99F, GLY146A, HIS101F, ILE329A, ILE330A, LYS328A, PHE90F, PRO332A, PRO333A, SER145A, TYR91F, VAL5F, VAL96F
• A-K: ALA131A, ASP244K, GLN246K, GLN353A, GLN354A, GLN360A, GLU241K, GLU361A, GLU364A, GLY245K, ILE248K, LEU242K, LYS243K, LYS359A, LYS373A, PRO130A, SER358A, TRP356A, VAL247K
• A-X: ALA144A, ALA22A, ALA26A, ARG147A, ARG28A, ASP24A, ASP25A, GLN353A, GLN354A, GLU167A, GLY146A, GLY168A, GLY23A, ILE341A, ILE345A, LEU142A, LEU346A, LEU349A, MET355A, PHE21A, PHE352A, PHE375A, PRO27A, SER145A, SER344A, SER348A, SER350A, THR148A, THR149A, THR351A, TRP340A, TYR143A, TYR169A, UNK10X, UNK11X, UNK12X, UNK13X, UNK14X, UNK15X, UNK16X, UNK17X, UNK18X, UNK19X, UNK1X, UNK2X, UNK3X, UNK4X, UNK5X, UNK6X, UNK7X, UNK8X, UNK9X
• F-K: ALA331F, ALA97K, ARG147F, ARG95K, ASP25F, GLU100K, GLU334F, GLU99K, GLY146F, HIS101K, ILE329F, ILE330F, LYS328F, PHE90K, PRO332F, PRO333F, SER145F, TYR91K, VAL5K, VAL96K
• F-X: ALA6F, ARG28F, ASP24F, PHE21F, UNK11X, UNK12X, UNK13X, UNK14X, UNK15X, UNK16X, VAL5F
• F-Y: ALA144F, ALA22F, ALA26F, ARG147F, ARG28F, ASP24F, ASP25F, GLN353F, GLN354F, GLU167F, GLY146F, GLY168F, GLY23F, ILE341F, ILE345F, LEU142F, LEU346F, LEU349F, MET355F, PHE21F, PHE352F, PHE375F, PRO27F, SER145F, SER344F, SER348F, SER350F, THR148F, THR149F, THR351F, TRP340F, TYR143F, TYR169F, UNK10Y, UNK11Y, UNK12Y, UNK13Y, UNK14Y, UNK15Y, UNK16Y, UNK17Y, UNK18Y, UNK19Y, UNK1Y, UNK2Y, UNK3Y, UNK4Y, UNK5Y, UNK6Y, UNK7Y, UNK8Y, UNK9Y
• K-Y: ALA6K, ARG28K, ASP24K, PHE21K, UNK11Y, UNK12Y, UNK13Y, UNK14Y, UNK15Y, UNK16Y, VAL5K
• K-Z: ALA144K, ALA22K, ALA26K, ARG147K, ARG28K, ASP24K, ASP25K, GLN353K, GLN354K, GLU167K, GLY146K, GLY168K, GLY23K, ILE341K, ILE345K, LEU142K, LEU346K, LEU349K, MET355K, PHE21K, PHE352K, PHE375K, PRO27K, SER145K, SER344K, SER348K, SER350K, THR148K, THR149K, THR351K, TRP340K, TYR143K, TYR169K, UNK10Z, UNK11Z, UNK12Z, UNK13Z, UNK14Z, UNK15Z, UNK16Z, UNK17Z, UNK18Z, UNK19Z, UNK1Z, UNK2Z, UNK3Z, UNK4Z, UNK5Z, UNK6Z, UNK7Z, UNK8Z, UNK9Z
• X-Y: UNK12X, UNK13X, UNK14X, UNK15X, UNK17Y, UNK19Y
• Y-Z: UNK12Y, UNK13Y, UNK14Y, UNK15Y, UNK17Z, UNK19Z