1D1K

mutated shiga-like toxin b subunit (d17e/w34a) complexed with receptor gb3 analogue

• Total interactions analyzed: 10
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-E
  • Int. Res.: 60
  • Norm. En. per Res.: -4.639
• 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	-47.9129	-37.4712	-182.707	-268.0911	60	6	6	7128	4	12	10
A-E	-43.7499	-48.418	-186.172	-278.34	60	5	6	7214	4	12	10
B-C	-42.9137	-43.3706	-175.674	-261.9583	60	7	7	7084	4	11	10
C-D	-44.8154	-42.9796	-177.628	-265.4231	59	5	6	6994	4	12	10
D-E	-45.8065	-42.7606	-181.137	-269.7041	60	4	7	7215	4	11	10

Interface residues

• A-B: ALA134A, ALA143A, ALA234B, ARG133A, ARG169A, ARG233B, ASN135A, ASN215B, ASN235B, ASP103A, ASP216B, ASP218B, GLN137A, GLN144A, GLN237B, GLN244B, GLU165A, GLU210B, GLU217B, GLU228B, GLY147A, GLY247B, ILE145A, ILE152A, ILE167A, ILE245B, LEU136A, LEU139A, LEU140A, LEU141A, LEU236B, LEU239B, LEU240B, LEU241B, LYS153A, LYS213B, LYS223B, MET148A, PHE163A, PHE168A, PHE220B, SER138A, SER142A, SER164A, SER238B, SER242B, THR101A, THR131A, THR146A, THR149A, THR151A, THR212B, THR219B, THR221B, THR246B, TYR211B, TYR214B, VAL150A, VAL166A, VAL209B
• A-E: ALA134A, ALA534E, ALA543E, ARG133A, ARG533E, ARG569E, ASN115A, ASN135A, ASN532E, ASN535E, ASP116A, ASP118A, ASP503E, GLN137A, GLN144A, GLN544E, GLU110A, GLU117A, GLU128A, GLU565E, GLY147A, GLY547E, ILE145A, ILE545E, ILE552E, ILE567E, LEU136A, LEU139A, LEU140A, LEU141A, LEU536E, LEU539E, LEU540E, LEU541E, LYS113A, LYS123A, LYS553E, MET548E, PHE120A, PHE563E, PHE568E, SER138A, SER142A, SER538E, SER542E, SER564E, THR112A, THR119A, THR121A, THR146A, THR501E, THR531E, THR546E, THR549E, THR551E, TYR111A, TYR114A, VAL109A, VAL550E, VAL566E
• B-C: ALA234B, ALA243B, ALA334C, ARG233B, ARG269B, ARG333C, ASN235B, ASN315C, ASN335C, ASP203B, ASP316C, ASP318C, GLN237B, GLN244B, GLN337C, GLN344C, GLU265B, GLU310C, GLU317C, GLU328C, GLY247B, GLY347C, ILE245B, ILE252B, ILE267B, ILE345C, LEU236B, LEU239B, LEU240B, LEU241B, LEU336C, LEU339C, LEU340C, LEU341C, LYS253B, LYS313C, LYS323C, MET248B, PHE263B, PHE268B, PHE320C, SER238B, SER242B, SER264B, SER338C, SER342C, THR201B, THR231B, THR246B, THR249B, THR251B, THR312C, THR319C, THR321C, THR346C, TYR311C, TYR314C, VAL250B, VAL266B, VAL309C
• C-D: ALA334C, ALA343C, ALA434D, ARG333C, ARG369C, ARG433D, ASN335C, ASN415D, ASN435D, ASP303C, ASP416D, ASP418D, GLN344C, GLN437D, GLN444D, GLU365C, GLU410D, GLU417D, GLU428D, GLY347C, GLY447D, ILE345C, ILE352C, ILE367C, ILE445D, LEU336C, LEU339C, LEU340C, LEU341C, LEU436D, LEU439D, LEU440D, LEU441D, LYS353C, LYS413D, LYS423D, MET348C, PHE363C, PHE368C, PHE420D, SER338C, SER342C, SER364C, SER438D, SER442D, THR301C, THR331C, THR346C, THR349C, THR351C, THR412D, THR419D, THR421D, THR446D, TYR411D, TYR414D, VAL350C, VAL366C, VAL409D
• D-E: ALA434D, ALA443D, ALA534E, ARG433D, ARG469D, ARG533E, ASN435D, ASN515E, ASN535E, ASP403D, ASP516E, ASP518E, GLN437D, GLN444D, GLN537E, GLN544E, GLU465D, GLU510E, GLU517E, GLU528E, GLY447D, GLY547E, ILE445D, ILE452D, ILE467D, ILE545E, LEU436D, LEU439D, LEU440D, LEU441D, LEU536E, LEU539E, LEU540E, LEU541E, LYS453D, LYS513E, LYS523E, MET448D, PHE463D, PHE468D, PHE520E, SER438D, SER442D, SER464D, SER538E, SER542E, THR401D, THR431D, THR446D, THR449D, THR451D, THR512E, THR519E, THR521E, THR546E, TYR511E, TYR514E, VAL450D, VAL466D, VAL509E