2BOS

a mutant shiga-like toxin iie bound to its receptor

• Total interactions analyzed: 10
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 61
  • Norm. En. per Res.: -4.6454
• 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	-55.6667	-4.983	-204.471	-265.1207	61	5	4	7312	1	4	6
A-E	-56.5715	-5.2173	-213.012	-274.8008	63	4	4	7470	1	5	6
B-C	-63.1418	-9.8559	-210.371	-283.3687	61	7	4	7444	2	4	6
C-D	-58.8208	-3.8792	-215.487	-278.1871	64	9	4	7535	1	4	6
D-E	-68.0327	-5.8329	-198.947	-272.8126	60	12	4	7337	1	4	6

Interface residues

• A-B: ALA143A, ALA164A, ARG133A, ASN135A, ASN155A, ASN169A, ASN215B, ASN218B, ASN235B, ASP103A, ASP217B, GLN137A, GLN141A, GLN144A, GLN167A, GLN237B, GLN241B, GLN244B, GLU165A, GLU210B, GLU216B, GLU228B, GLY147A, GLY247B, ILE109A, ILE153A, ILE209B, LEU136A, LEU139A, LEU140A, LEU145A, LEU236B, LEU239B, LEU240B, LEU245B, LYS213B, LYS223B, MET148A, PHE163A, PHE168A, PHE211B, PHE220B, PRO138A, PRO238B, SER142A, SER154A, SER212B, SER242B, THR131A, THR146A, THR149A, THR151A, THR219B, THR221B, THR246B, TRP134A, TRP234B, TYR214B, VAL150A, VAL166A, VAL222B
• A-E: ALA543E, ALA564E, ARG133A, ARG533E, ASN115A, ASN118A, ASN135A, ASN532E, ASN535E, ASN555E, ASN569E, ASP117A, ASP503E, GLN137A, GLN141A, GLN144A, GLN537E, GLN541E, GLN544E, GLN567E, GLU110A, GLU116A, GLU128A, GLU565E, GLY147A, GLY547E, ILE109A, ILE509E, ILE553E, LEU136A, LEU139A, LEU140A, LEU145A, LEU536E, LEU539E, LEU540E, LEU545E, LYS113A, LYS123A, MET548E, PHE111A, PHE120A, PHE563E, PHE568E, PRO138A, PRO538E, SER112A, SER142A, SER542E, SER554E, THR119A, THR121A, THR146A, THR531E, THR546E, THR549E, THR551E, TRP134A, TRP534E, TYR114A, VAL122A, VAL550E, VAL566E
• B-C: ALA243B, ALA264B, ARG233B, ARG333C, ASN235B, ASN255B, ASN269B, ASN315C, ASN318C, ASN335C, ASP203B, ASP317C, GLN237B, GLN241B, GLN244B, GLN267B, GLN337C, GLN341C, GLN344C, GLU265B, GLU310C, GLU316C, GLU328C, GLY247B, ILE209B, ILE253B, ILE309C, LEU236B, LEU239B, LEU240B, LEU245B, LEU336C, LEU339C, LEU340C, LEU345C, LYS313C, LYS323C, MET248B, PHE263B, PHE268B, PHE311C, PHE320C, PRO238B, PRO338C, SER242B, SER254B, SER312C, SER342C, THR231B, THR246B, THR249B, THR251B, THR319C, THR321C, THR346C, TRP234B, TRP334C, TYR314C, VAL250B, VAL266B, VAL322C
• C-D: ALA343C, ALA364C, ARG333C, ARG433D, ASN332C, ASN335C, ASN355C, ASN369C, ASN415D, ASN418D, ASN432D, ASN435D, ASP303C, ASP417D, GLN337C, GLN341C, GLN344C, GLN367C, GLN437D, GLN441D, GLN444D, GLU365C, GLU410D, GLU416D, GLY347C, GLY447D, ILE309C, ILE353C, ILE409D, LEU336C, LEU339C, LEU340C, LEU345C, LEU436D, LEU439D, LEU440D, LEU445D, LYS306C, LYS413D, LYS423D, MET348C, PHE363C, PHE368C, PHE411D, PHE420D, PRO338C, PRO438D, SER342C, SER354C, SER412D, SER442D, THR331C, THR346C, THR349C, THR351C, THR419D, THR421D, THR446D, TRP334C, TRP434D, TYR414D, VAL350C, VAL366C, VAL422D
• D-E: ALA443D, ALA464D, ARG433D, ASN435D, ASN455D, ASN469D, ASN515E, ASN518E, ASN535E, ASP403D, ASP517E, GLN441D, GLN444D, GLN467D, GLN537E, GLN541E, GLN544E, GLU465D, GLU510E, GLU516E, GLU528E, GLY447D, GLY547E, ILE409D, ILE453D, ILE509E, LEU436D, LEU439D, LEU440D, LEU445D, LEU536E, LEU539E, LEU540E, LEU545E, LYS513E, LYS523E, MET448D, PHE463D, PHE468D, PHE511E, PHE520E, PRO438D, PRO538E, SER442D, SER454D, SER512E, SER542E, THR431D, THR446D, THR449D, THR451D, THR519E, THR521E, THR546E, TRP434D, TRP534E, TYR514E, VAL450D, VAL466D, VAL522E