2AUC

structure of the plasmodium mtip-myoa complex, a key component of the parasite invasion motor

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 47
  • Norm. En. per Res.: -5.2461
• 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	-19.9353	15.5699	-66.4429	-70.8083	40	2	0	2714	4	17	21
A-C	-13.391	-51.3027	-156.965	-221.6587	85	3	3	6241	5	37	42
A-D	0.0	0.0	-3.2855	-3.2855	6	0	0	145	0	0	1
B-C	-2.7774	-0.2817	-100.986	-104.0451	58	1	4	4666	2	21	22
C-D	-26.5394	-69.4189	-150.61	-246.5684	47	5	5	6314	4	30	6

Interface residues

• A-B: ALA175A, ALA175B, ASN141A, ASN141B, ASN154A, ASN163A, ASN167A, ASP140B, ASP174A, ASP174B, GLN164A, GLU143B, GLU144A, GLU144B, GLU178A, GLY173A, GLY173B, HIS137B, HIS151A, HIS151B, ILE146B, ILE168A, ILE168B, LEU145B, LEU169B, LEU176B, LYS147A, LYS147B, LYS166A, PHE149B, PHE152A, PHE152B, SER150B, THR170A, THR170B, THR171A, THR171B, TRP172A, TRP172B, VAL136B
• A-C: ALA100A, ALA106A, ALA106C, ALA184C, ALA187C, ALA96C, ARG101C, ARG116C, ARG139A, ARG193C, ARG92A, ARG92C, ASN141A, ASN154A, ASN155A, ASN186C, ASN195C, ASN83C, ASN99C, ASP140A, ASP153A, ASP202C, ASP80C, ASP95C, CYS135A, CYS200C, GLN127A, GLU112C, GLU126A, GLU130A, GLU143A, GLU144A, GLU201A, GLU201C, GLU94C, GLY104A, HIS137A, HIS151A, HIS98C, ILE146A, ILE194C, ILE203C, ILE93C, LEU103A, LEU105A, LEU129A, LEU132A, LEU145A, LEU198C, LYS102A, LYS102C, LYS113C, LYS147A, LYS197A, LYS197C, LYS79C, LYS85C, PHE149A, PHE152A, PHE159C, PHE188C, PHE199C, PHE82C, PRO107C, SER108C, SER109C, SER150A, SER156A, SER157A, SER189C, SER190C, SER86C, SER87C, SER97C, THR110C, THR124A, THR133A, THR84C, TRP172A, TYR125A, TYR128A, TYR131A, TYR196A, TYR196C, VAL136A
• A-D: ARG814D, LEU103A, LEU129A, LEU132A, TYR125A, TYR128A
• B-C: ALA100C, ALA175B, ARG101C, ARG139B, ARG139C, ASN141B, ASN83C, ASN99C, ASP111B, ASP138B, ASP140B, ASP174B, ASP80C, CYS135B, CYS135C, GLN127B, GLU126B, GLU126C, GLU130B, GLU130C, GLU143B, GLU144B, GLY104C, GLY173B, HIS137B, HIS137C, HIS98C, ILE146B, ILE168B, LEU103B, LEU103C, LEU105B, LEU105C, LEU129B, LEU129C, LEU132B, LEU132C, LEU145B, LEU169B, LEU176B, LYS102C, LYS114B, LYS79C, PHE82C, SER108B, THR110B, THR133B, THR133C, TRP172B, TYR119B, TYR125B, TYR125C, TYR128B, TYR128C, TYR131B, TYR131C, VAL136B, VAL136C
• C-D: ALA175C, ALA181C, ALA184C, ALA187C, ALA809D, ARG806D, ARG812D, ARG814D, ASN141C, ASN167C, ASP138C, ASP174C, ASP183C, ASP202C, CYS200C, GLN808D, GLU144C, GLU180C, GLU201C, GLY173C, HIS137C, HIS810D, ILE168C, ILE203C, ILE811D, LEU145C, LEU169C, LEU176C, LEU185C, LEU204C, LEU804D, LYS113C, LYS166C, LYS813D, MET805D, MET815D, PHE149C, PHE152C, PHE188C, PHE199C, SER108C, THR110C, THR170C, THR171C, THR177C, TRP172C, VAL807D