3I27

structure of bovine torovirus hemagglutinin-esterase in complex with receptor

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 147
  • Norm. En. per Res.: -1.7137
• 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	-16.9919	-4.9653	-229.845	-251.8021	149	7	7	9370	0	4	19
A-D	-2.1751	0.0	-70.7841	-72.9592	59	2	0	2812	0	2	0
C-D	-14.1849	-10.3784	-227.344	-251.9073	147	5	7	9256	0	4	19

Interface residues

• A-B: ALA232A, ALA232B, ALA306A, ALA306B, ALA356A, ALA356B, ARG122A, ARG122B, ASN203A, ASN203B, ASN257A, ASN257B, ASN367A, ASN367B, ASP223A, ASP223B, ASP231A, ASP231B, ASP243B, ASP247A, ASP247B, ASP379A, ASP379B, CYS309A, CYS309B, CYS346A, CYS346B, CYS371A, CYS371B, GLN129A, GLN129B, GLN373A, GLN373B, GLU365A, GLU365B, GLY205B, GLY217A, GLY217B, GLY228A, GLY228B, GLY369A, GLY369B, HIS204A, HIS204B, ILE279A, ILE279B, ILE363A, ILE363B, LEU249A, LEU249B, LEU355A, LEU355B, LEU357A, LEU357B, LEU377A, LEU377B, LYS126A, LYS305A, LYS305B, LYS376A, LYS376B, MET362A, MET362B, PHE199A, PHE199B, PHE216A, PHE216B, PHE225A, PHE225B, PHE374A, PHE374B, PHE378A, PHE378B, PRO176A, PRO176B, PRO215A, PRO215B, PRO234A, PRO234B, PRO282A, PRO282B, PRO307A, PRO307B, PRO354A, PRO354B, PRO366A, PRO366B, PRO372A, PRO372B, SER178A, SER178B, SER219A, SER219B, SER222A, SER222B, SER224A, SER224B, SER259A, SER259B, SER345A, SER345B, SER359A, SER359B, SER370A, SER370B, THR132A, THR132B, THR133A, THR133B, THR16A, THR177B, THR233A, THR233B, THR260A, THR260B, THR280A, THR280B, THR353B, TYR201A, TYR201B, TYR226A, TYR226B, TYR227A, TYR227B, TYR229A, TYR229B, TYR230A, TYR230B, TYR308A, TYR308B, TYR358A, TYR358B, TYR364A, TYR364B, TYR368A, TYR368B, TYR375A, TYR375B, VAL18A, VAL218A, VAL218B, VAL221A, VAL221B, VAL245A, VAL245B, VAL261A, VAL261B, VAL281A, VAL281B
• A-D: ALA144A, ALA144D, ARG167A, ARG167D, ASN75A, ASN75D, ASN76A, ASN76D, ASP84A, ASP84D, GLN141A, GLN141D, GLN143A, GLN143D, GLN161A, GLN161D, GLY188A, HIS77A, HIS77D, ILE140A, ILE140D, LEU142A, LEU142D, LEU148A, LEU148D, LEU151A, LEU151D, LYS138A, LYS138D, LYS270A, LYS270D, LYS63A, LYS63D, PHE80A, PHE80D, PRO145A, PRO145D, PRO149A, PRO149D, PRO184D, SER146A, SER146D, SER147A, SER147D, SER172A, SER172D, SER78A, SER78D, SER79A, SER79D, SER82A, SER82D, THR150A, THR150D, THR269D, TYR83A, TYR83D, VAL81A, VAL81D
• C-D: ALA232C, ALA232D, ALA306C, ALA306D, ALA356C, ALA356D, ARG122C, ARG122D, ASN203C, ASN203D, ASN257C, ASN257D, ASN278C, ASN367C, ASN367D, ASP223C, ASP223D, ASP231C, ASP231D, ASP243D, ASP247C, ASP247D, ASP379D, CYS309C, CYS309D, CYS346C, CYS346D, CYS371C, CYS371D, GLN129C, GLN129D, GLN373C, GLN373D, GLU365C, GLU365D, GLY205D, GLY217C, GLY217D, GLY228C, GLY228D, GLY369C, GLY369D, HIS204C, HIS204D, ILE279C, ILE279D, ILE363C, ILE363D, LEU249C, LEU249D, LEU355C, LEU355D, LEU357C, LEU357D, LEU377C, LEU377D, LYS126C, LYS126D, LYS305C, LYS305D, LYS376C, LYS376D, MET362C, MET362D, PHE199C, PHE199D, PHE216C, PHE216D, PHE225C, PHE225D, PHE374C, PHE374D, PHE378C, PHE378D, PRO176C, PRO176D, PRO215C, PRO215D, PRO234C, PRO234D, PRO282C, PRO282D, PRO307C, PRO307D, PRO354C, PRO354D, PRO366C, PRO366D, PRO372C, PRO372D, SER178C, SER219C, SER219D, SER222C, SER222D, SER224C, SER224D, SER259C, SER259D, SER345C, SER345D, SER359C, SER359D, SER370C, SER370D, THR132C, THR132D, THR133C, THR133D, THR233C, THR233D, THR260C, THR260D, THR280C, THR280D, THR353D, TYR201C, TYR201D, TYR226C, TYR226D, TYR227C, TYR227D, TYR229C, TYR229D, TYR230C, TYR230D, TYR308C, TYR308D, TYR358C, TYR358D, TYR364C, TYR364D, TYR368C, TYR368D, TYR375C, TYR375D, VAL18D, VAL218C, VAL218D, VAL221C, VAL221D, VAL245C, VAL245D, VAL261C, VAL261D, VAL281C, VAL281D