1SIE

murine polyomavirus complexed with a disialylated oligosaccharide

• Total interactions analyzed: 15
• Total true interactions: 7
• Strongest Interaction:
  • Chains: B-F
  • Int. Res.: 165
  • Norm. En. per Res.: -5.1502
• 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	-99.5381	13.6194	156.509	70.5903	236	72	15	30008	6	64	52
A-E	-106.6936	-2.0308	123.327	14.6026	232	78	17	30610	5	63	48
B-C	-102.3801	-18.8396	-14.9202	-136.1399	259	82	13	33856	9	73	56
B-F	-181.1227	-19.8843	-648.778	-849.7849	165	78	22	25702	3	26	32
C-D	-72.3596	12.0802	156.43	96.1506	226	79	15	29887	6	68	46
C-F	-134.1749	-20.488	-255.954	-410.6169	154	64	4	12566	13	44	46
D-E	-100.3143	11.8962	189.221	100.8029	227	83	15	29626	5	62	48

Interface residues

• A-B: ALA166B, ALA181B, ALA18A, ALA232B, ALA23A, ALA51A, ALA82B, ARG182B, ARG21A, ARG238B, ARG289A, ARG289B, ARG292A, ARG300A, ARG304A, ARG311B, ARG313B, ARG372B, ARG56A, ASN142A, ASN149A, ASN203B, ASN209B, ASN234B, ASN236B, ASN242B, ASN257A, ASN267B, ASN293A, ASN293B, ASN317B, ASN54A, ASN80B, ASP111B, ASP115B, ASP137A, ASP146A, ASP180B, ASP200B, ASP205B, ASP230B, ASP265B, ASP295B, ASP38A, ASP85B, ASP88B, CYS114B, CYS19A, GLN118B, GLN161A, GLN161B, GLN175B, GLN206B, GLN254A, GLN59A, GLN71A, GLU110B, GLU128A, GLU158A, GLU225B, GLU235B, GLU266B, GLU35A, GLU48A, GLU50A, GLU64A, GLU68A, GLU87B, GLY131A, GLY133A, GLY140A, GLY152A, GLY159A, GLY159B, GLY176B, GLY241B, GLY245B, GLY246B, GLY268B, GLY287B, GLY301A, GLY32A, GLY33A, GLY69A, GLY70A, GLY74A, GLY91B, HIS139A, HIS163A, HIS163B, HIS228B, HIS297B, HIS298A, HIS298B, ILE153A, ILE211B, ILE226B, ILE285B, ILE30A, ILE49A, ILE79B, LEU117B, LEU135A, LEU136A, LEU172B, LEU177B, LEU208B, LEU253A, LEU259A, LEU263B, LEU264B, LEU272B, LEU28A, LEU302A, LEU37A, LEU39A, LEU53A, LEU66A, LEU81B, LEU95B, LYS126A, LYS143A, LYS143B, LYS151A, LYS17A, LYS184B, LYS186B, LYS204B, LYS213B, LYS233B, LYS307A, LYS316B, LYS31A, MET201B, MET286A, MET57A, MET57B, PHE141A, PHE165B, PHE240B, PHE255A, PHE306A, PHE373B, PHE52A, PRO144A, PRO156A, PRO20A, PRO210B, PRO223B, PRO229B, PRO22A, PRO231B, PRO24A, PRO250A, PRO250B, PRO251A, PRO26A, PRO271B, PRO303A, PRO55A, PRO60A, PRO61A, PRO63A, PRO90B, PRO96B, SER132A, SER134A, SER154A, SER160B, SER65A, SER76B, SER84B, SER89B, THR113B, THR116B, THR127A, THR145A, THR147A, THR150A, THR155A, THR179B, THR183B, THR237B, THR244B, THR247B, THR248A, THR248B, THR249A, THR249B, THR256A, THR258A, THR260A, THR261B, THR291A, THR309A, THR62A, THR67A, THR83B, THR86B, THR94B, TRP227B, TRP288B, TRP299B, TRP314B, TRP75A, TRP98B, TYR162B, TYR185B, TYR239B, TYR243B, TYR294B, TYR305A, TYR319B, TYR72A, TYR73A, VAL129A, VAL130A, VAL138A, VAL148A, VAL157A, VAL164B, VAL167B, VAL178B, VAL202B, VAL207B, VAL224B, VAL252A, VAL25A, VAL262B, VAL269B, VAL283B, VAL290B, VAL296B, VAL315B, VAL36A, VAL40A
• A-E: ALA166A, ALA181A, ALA18E, ALA232A, ALA23E, ALA51E, ALA82A, ARG182A, ARG21E, ARG238A, ARG289A, ARG289E, ARG292E, ARG300E, ARG304E, ARG311A, ARG313A, ARG56E, ASN109A, ASN142E, ASN149E, ASN203A, ASN209A, ASN234A, ASN236A, ASN242A, ASN257E, ASN267A, ASN293A, ASN293E, ASN317A, ASN330A, ASN331A, ASN54E, ASN80A, ASP111A, ASP115A, ASP137E, ASP146E, ASP180A, ASP200A, ASP205A, ASP230A, ASP265A, ASP295A, ASP85A, ASP88A, CYS114A, CYS19E, GLN118A, GLN161A, GLN161E, GLN175A, GLN206A, GLN254E, GLN59E, GLN71E, GLU121A, GLU128E, GLU158E, GLU225A, GLU235A, GLU266A, GLU48E, GLU50E, GLU64E, GLU68E, GLU87A, GLY131E, GLY133E, GLY140E, GLY152E, GLY159A, GLY159E, GLY176A, GLY241A, GLY245A, GLY246A, GLY268A, GLY287A, GLY301E, GLY32E, GLY33E, GLY69E, GLY70E, GLY74E, GLY91A, HIS139E, HIS163A, HIS228A, HIS297A, HIS298A, HIS298E, ILE153E, ILE211A, ILE226A, ILE285A, ILE30E, ILE49E, ILE79A, LEU117A, LEU135E, LEU136E, LEU172A, LEU177A, LEU208A, LEU253E, LEU259E, LEU263A, LEU264A, LEU272A, LEU28E, LEU302E, LEU53E, LEU66E, LEU81A, LEU95A, LYS126E, LYS143A, LYS143E, LYS151E, LYS17E, LYS184A, LYS204A, LYS213A, LYS233A, LYS307E, LYS316A, LYS31E, MET119A, MET201A, MET286E, MET57A, MET57E, PHE141E, PHE165A, PHE240A, PHE255E, PHE306E, PHE52E, PRO144E, PRO156E, PRO20E, PRO210A, PRO223A, PRO229A, PRO22E, PRO231A, PRO24E, PRO250A, PRO250E, PRO251E, PRO26E, PRO271A, PRO303E, PRO43A, PRO55E, PRO60E, PRO61E, PRO63E, PRO90A, PRO96A, SER124E, SER132E, SER134E, SER154E, SER160A, SER65E, SER76A, SER84A, SER89A, THR113A, THR116A, THR127E, THR145E, THR147E, THR150E, THR155E, THR179A, THR183A, THR237A, THR244A, THR247A, THR248A, THR248E, THR249A, THR249E, THR256E, THR258E, THR260E, THR261A, THR291E, THR309E, THR62E, THR67E, THR83A, THR86A, THR94A, TRP227A, TRP288A, TRP299A, TRP314A, TRP75E, TRP98A, TYR162A, TYR185A, TYR239A, TYR243A, TYR294A, TYR305E, TYR72E, TYR73E, VAL129E, VAL130E, VAL138E, VAL148E, VAL157E, VAL164A, VAL167A, VAL178A, VAL202A, VAL207A, VAL224A, VAL252E, VAL25E, VAL262A, VAL269A, VAL283A, VAL290A, VAL296A, VAL315A, VAL36E
• B-C: ALA166C, ALA181C, ALA18B, ALA232C, ALA23B, ALA51B, ALA82C, ARG182C, ARG21B, ARG238C, ARG289B, ARG289C, ARG292B, ARG300B, ARG304B, ARG311C, ARG313C, ARG368C, ARG372C, ARG56B, ASN109B, ASN109C, ASN142B, ASN149B, ASN203C, ASN209C, ASN234C, ASN236C, ASN242C, ASN257B, ASN267C, ASN293B, ASN293C, ASN317C, ASN54B, ASN80C, ASP111C, ASP115C, ASP137B, ASP146B, ASP180C, ASP200C, ASP205C, ASP230C, ASP265C, ASP295C, ASP371C, ASP38B, ASP85C, ASP88C, CYS114C, CYS19B, CYS273B, GLN104B, GLN118C, GLN161B, GLN161C, GLN175C, GLN206C, GLN254B, GLN59B, GLN71B, GLU128B, GLU158B, GLU225C, GLU235C, GLU266C, GLU276B, GLU358C, GLU35B, GLU48B, GLU50B, GLU64B, GLU87C, GLY131B, GLY133B, GLY140B, GLY152B, GLY159B, GLY159C, GLY176C, GLY241C, GLY245C, GLY246C, GLY268C, GLY275B, GLY277B, GLY287C, GLY301B, GLY32B, GLY33B, GLY69B, GLY70B, GLY74B, GLY91C, HIS139B, HIS163B, HIS163C, HIS228C, HIS297C, HIS298B, HIS298C, ILE153B, ILE211C, ILE226C, ILE285C, ILE30B, ILE49B, ILE79C, LEU103B, LEU105B, LEU108B, LEU117C, LEU135B, LEU136B, LEU172C, LEU174C, LEU177C, LEU208C, LEU253B, LEU259B, LEU263C, LEU264C, LEU272C, LEU28B, LEU302B, LEU37B, LEU39B, LEU53B, LEU66B, LEU81C, LEU95C, LYS102B, LYS126B, LYS143B, LYS143C, LYS151B, LYS17B, LYS184C, LYS186C, LYS204C, LYS213C, LYS233C, LYS274B, LYS27B, LYS307B, LYS316C, LYS31B, MET107B, MET201C, MET286B, MET34B, MET366C, MET57B, PHE141B, PHE165C, PHE240C, PHE255B, PHE306B, PHE373C, PHE52B, PRO106B, PRO144B, PRO156B, PRO20B, PRO210C, PRO223C, PRO229C, PRO22B, PRO231C, PRO24B, PRO250B, PRO250C, PRO251B, PRO26B, PRO303B, PRO43C, PRO55B, PRO60B, PRO61B, PRO63B, PRO90C, PRO96C, SER124B, SER132B, SER134B, SER154B, SER160C, SER65B, SER76C, SER84C, SER89C, THR113C, THR116C, THR127B, THR145B, THR147B, THR150B, THR155B, THR179C, THR183C, THR237C, THR244C, THR247C, THR248B, THR248C, THR249B, THR249C, THR256B, THR258B, THR260B, THR261C, THR291B, THR309B, THR367C, THR62B, THR67B, THR83C, THR86C, THR94C, TRP120B, TRP227C, TRP288C, TRP299C, TRP314C, TRP75B, TRP98C, TYR162C, TYR185C, TYR239C, TYR243C, TYR294C, TYR305B, TYR369C, TYR72B, TYR73B, VAL129B, VAL130B, VAL138B, VAL148B, VAL157B, VAL164C, VAL167C, VAL178C, VAL202C, VAL207C, VAL224C, VAL252B, VAL25B, VAL262C, VAL269C, VAL283C, VAL290C, VAL296C, VAL315C, VAL353C, VAL36B, VAL370C, VAL40B
• B-F: ALA101B, ALA214B, ALA23B, ALA322F, ALA51B, ARG21B, ARG304B, ARG352F, ARG56B, ASN109B, ASN236B, ASN317B, ASN317F, ASN330F, ASN331F, ASN345F, ASN54B, ASP111B, ASP115B, ASP115F, ASP173B, ASP217B, ASP219B, ASP355F, ASP365F, ASP38B, ASP44B, CYS114F, CYS273B, CYS282B, GLN104B, GLN118B, GLN335F, GLN337F, GLN339F, GLN347F, GLU110B, GLU110F, GLU170B, GLU276B, GLU342F, GLU349F, GLU350F, GLU358F, GLU35B, GLU48B, GLU50B, GLU64B, GLY169B, GLY220B, GLY275B, GLY277B, GLY32B, GLY338F, GLY33B, GLY343F, GLY356F, GLY362F, GLY42B, ILE308B, ILE30B, ILE325B, ILE325F, ILE49B, LEU103B, LEU105B, LEU108B, LEU112B, LEU112F, LEU117B, LEU172B, LEU216B, LEU278B, LEU280B, LEU28B, LEU29B, LEU310B, LEU324B, LEU324F, LEU328B, LEU328F, LEU333F, LEU37B, LEU39B, LEU53B, LYS102B, LYS215B, LYS218B, LYS274B, LYS27B, LYS307B, LYS312B, LYS316B, LYS31B, MET100B, MET107B, MET107F, MET119B, MET221B, MET321B, MET321F, MET332F, MET341F, MET34B, PHE306B, PHE329B, PHE329F, PHE52B, PRO106B, PRO171B, PRO20B, PRO22B, PRO24B, PRO26B, PRO303B, PRO318B, PRO318F, PRO320B, PRO320F, PRO334F, PRO340F, PRO359F, PRO361F, PRO364F, PRO43B, PRO55B, PRO61B, SER281B, SER323B, SER323F, SER326F, SER327B, SER327F, SER45B, SER99B, THR113B, THR113F, THR116B, THR309B, THR346F, THR357F, THR367F, THR41B, THR47B, TRP120B, TRP98B, TYR222B, TYR279B, TYR305B, TYR319B, TYR319F, TYR354F, TYR73B, VAL130B, VAL191B, VAL25B, VAL315B, VAL336F, VAL348F, VAL351F, VAL353F, VAL360F, VAL36B, VAL40B, VAL46B
• C-D: ALA166D, ALA181D, ALA18C, ALA232D, ALA23C, ALA51C, ALA82D, ARG182D, ARG21C, ARG238D, ARG289C, ARG289D, ARG292C, ARG300C, ARG304C, ARG311D, ARG313D, ARG56C, ASN109D, ASN142C, ASN149C, ASN203D, ASN209D, ASN234D, ASN242D, ASN257C, ASN267D, ASN293C, ASN293D, ASN317D, ASN54C, ASN80D, ASP111D, ASP115D, ASP137C, ASP146C, ASP180D, ASP200D, ASP205D, ASP230D, ASP265D, ASP295D, ASP85D, ASP88D, CYS114D, CYS19C, GLN118D, GLN161C, GLN161D, GLN175D, GLN206D, GLN254C, GLN59C, GLN71C, GLU110D, GLU121D, GLU128C, GLU158C, GLU225D, GLU235D, GLU266D, GLU48C, GLU50C, GLU64C, GLU87D, GLY131C, GLY133C, GLY140C, GLY152C, GLY159C, GLY159D, GLY176D, GLY241D, GLY245D, GLY246D, GLY268D, GLY287D, GLY301C, GLY32C, GLY33C, GLY69C, GLY70C, GLY74C, GLY78D, GLY91D, HIS139C, HIS163D, HIS228D, HIS297D, HIS298C, HIS298D, ILE153C, ILE226D, ILE285D, ILE49C, ILE79D, LEU117D, LEU135C, LEU136C, LEU172D, LEU177D, LEU208D, LEU253C, LEU259C, LEU263D, LEU264D, LEU28C, LEU302C, LEU53C, LEU66C, LEU81D, LEU95D, LYS126C, LYS143C, LYS143D, LYS151C, LYS17C, LYS184D, LYS186D, LYS204D, LYS213D, LYS233D, LYS274D, LYS307C, LYS316D, LYS31C, MET201D, MET286C, MET57C, MET57D, PHE141C, PHE165D, PHE240D, PHE255C, PHE306C, PHE52C, PRO144C, PRO156C, PRO20C, PRO210D, PRO223D, PRO229D, PRO22C, PRO231D, PRO24C, PRO250C, PRO250D, PRO251C, PRO26C, PRO303C, PRO55C, PRO60C, PRO61C, PRO63C, PRO90D, PRO96D, SER124C, SER132C, SER134C, SER154C, SER160D, SER65C, SER76D, SER84D, SER89D, THR113D, THR116D, THR127C, THR145C, THR147C, THR150C, THR155C, THR179D, THR183D, THR237D, THR244D, THR247D, THR248C, THR248D, THR249C, THR249D, THR256C, THR258C, THR260C, THR261D, THR291C, THR309C, THR62C, THR67C, THR83D, THR86D, THR94D, TRP227D, TRP288D, TRP299D, TRP314D, TRP75C, TRP98D, TYR162D, TYR185D, TYR239D, TYR243D, TYR294D, TYR305C, TYR319D, TYR72C, TYR73C, VAL129C, VAL130C, VAL138C, VAL148C, VAL157C, VAL164D, VAL167D, VAL178D, VAL202D, VAL207D, VAL224D, VAL252C, VAL25C, VAL262D, VAL269D, VAL283D, VAL290D, VAL296D, VAL315D
• C-F: ALA232C, ALA232F, ALA322F, ARG311C, ARG311F, ARG313C, ARG313F, ARG352C, ARG352F, ARG368C, ARG368F, ARG372C, ASN209C, ASN209F, ASN234C, ASN234F, ASN236C, ASN236F, ASN267C, ASN267F, ASN317C, ASN317F, ASN330C, ASN330F, ASN345C, ASN345F, ASP115C, ASP115F, ASP230C, ASP230F, ASP265F, ASP363C, ASP363F, ASP365C, ASP365F, ASP371C, ASP371F, GLN175C, GLN175F, GLN335C, GLN335F, GLN339C, GLN339F, GLN347C, GLN347F, GLU121C, GLU121F, GLU170C, GLU170F, GLU235C, GLU235F, GLU266C, GLU342C, GLU342F, GLU344C, GLU344F, GLU349C, GLU349F, GLU350C, GLU350F, GLU358C, GLU358F, GLY268C, GLY268F, GLY275C, GLY275F, GLY343F, GLY362C, GLY362F, ILE211C, ILE211F, ILE325F, LEU117C, LEU117F, LEU208C, LEU208F, LEU272C, LEU272F, LEU324C, LEU324F, LEU328F, LYS204C, LYS204F, LYS213C, LYS213F, LYS215F, LYS233C, LYS233F, LYS274C, LYS274F, LYS316C, LYS316F, MET119C, MET119F, MET321C, MET341C, MET341F, MET366C, MET366F, PHE329F, PHE373C, PRO210C, PRO210F, PRO231C, PRO231F, PRO318C, PRO318F, PRO320C, PRO320F, PRO340F, PRO359C, PRO359F, PRO361C, PRO361F, PRO364C, PRO364F, SER323C, SER323F, SER326F, SER327C, SER327F, THR116C, THR116F, THR346C, THR346F, THR357C, THR357F, THR367C, THR367F, TRP314C, TRP314F, TYR319C, TYR319F, TYR354C, TYR354F, TYR369C, TYR369F, VAL207C, VAL207F, VAL269C, VAL269F, VAL315C, VAL315F, VAL336C, VAL348C, VAL348F, VAL351C, VAL351F, VAL353C, VAL353F, VAL360C, VAL360F, VAL370C, VAL370F
• D-E: ALA166E, ALA181E, ALA18D, ALA232E, ALA23D, ALA51D, ALA82E, ARG182E, ARG21D, ARG238E, ARG289D, ARG292D, ARG300D, ARG304D, ARG311E, ARG313E, ARG56D, ASN142D, ASN149D, ASN203E, ASN209E, ASN234E, ASN236E, ASN242E, ASN257D, ASN267E, ASN293D, ASN293E, ASN317E, ASN54D, ASN80E, ASP111E, ASP115E, ASP137D, ASP146D, ASP180E, ASP200E, ASP205E, ASP230E, ASP265E, ASP295E, ASP85E, ASP88E, CYS114E, CYS19D, GLN118E, GLN161D, GLN161E, GLN175E, GLN206E, GLN254D, GLN59D, GLN71D, GLU128D, GLU158D, GLU225E, GLU235E, GLU266E, GLU48D, GLU50D, GLU64D, GLU68D, GLU87E, GLY131D, GLY133D, GLY140D, GLY152D, GLY159D, GLY159E, GLY176E, GLY241E, GLY245E, GLY246E, GLY268E, GLY287E, GLY301D, GLY32D, GLY69D, GLY70D, GLY74D, GLY78E, GLY91E, HIS139D, HIS163D, HIS163E, HIS228E, HIS297E, HIS298D, HIS298E, ILE153D, ILE211E, ILE226E, ILE285E, ILE49D, ILE79E, LEU112E, LEU117E, LEU135D, LEU136D, LEU174E, LEU177E, LEU208E, LEU253D, LEU259D, LEU263E, LEU264E, LEU272E, LEU28D, LEU302D, LEU53D, LEU66D, LEU81E, LEU95E, LYS126D, LYS143D, LYS143E, LYS151D, LYS17D, LYS184E, LYS186E, LYS204E, LYS213E, LYS233E, LYS274E, LYS307D, LYS316E, LYS31D, MET201E, MET286D, MET57D, MET57E, PHE141D, PHE165E, PHE240E, PHE255D, PHE306D, PHE52D, PRO144D, PRO156D, PRO20D, PRO210E, PRO223E, PRO229E, PRO22D, PRO231E, PRO24D, PRO250D, PRO250E, PRO251D, PRO26D, PRO303D, PRO55D, PRO60D, PRO61D, PRO63D, PRO90E, PRO96E, SER132D, SER134D, SER154D, SER160E, SER65D, SER76E, SER84E, SER89E, THR113E, THR116E, THR127D, THR145D, THR147D, THR150D, THR155D, THR179E, THR183E, THR237E, THR244E, THR247E, THR248D, THR248E, THR249D, THR249E, THR256D, THR258D, THR260D, THR261E, THR291D, THR291E, THR309D, THR62D, THR67D, THR83E, THR86E, THR94E, TRP227E, TRP288E, TRP299E, TRP314E, TRP75D, TRP98E, TYR162E, TYR185E, TYR239E, TYR243E, TYR294E, TYR305D, TYR319E, TYR72D, TYR73D, VAL129D, VAL130D, VAL138D, VAL148D, VAL157D, VAL164E, VAL167E, VAL178E, VAL202E, VAL207E, VAL224E, VAL252D, VAL25D, VAL262E, VAL269E, VAL283E, VAL290E, VAL296E, VAL315E