1VPS

polyomavirus vp1 pentamer complexed with a disialylated hexasaccharide

• Total interactions analyzed: 10
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 196
  • Norm. En. per Res.: -4.3225
• 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	-118.0365	1.103	-710.312	-827.2455	194	17	15	26712	5	57	41
A-E	-111.7567	-4.5912	-710.603	-826.9509	193	17	15	26870	5	58	41
B-C	-127.9022	3.9489	-723.26	-847.2133	196	18	14	27032	5	58	42
C-D	-118.726	18.6603	-716.497	-816.5627	193	16	14	26920	5	57	42
D-E	-117.3004	9.0441	-719.468	-827.7243	195	18	14	27001	5	58	42

Interface residues

• A-B: ALA166B, ALA181B, ALA232B, ALA51A, ALA82B, ARG182B, ARG238B, ARG289A, ARG289B, ARG292A, ARG300A, ARG304A, ARG56A, ASN142A, ASN149A, ASN203B, ASN209B, ASN234B, ASN236B, ASN242B, ASN257A, ASN293A, ASN293B, ASN54A, ASN80B, ASP137A, ASP146A, ASP173B, ASP180B, ASP200B, ASP205B, ASP230B, ASP265B, ASP295B, ASP85B, ASP88B, GLN161A, GLN161B, GLN175B, GLN206B, GLN254A, GLN59A, GLN71A, GLU128A, GLU158A, GLU158B, GLU225B, GLU235B, GLU266B, GLU48A, GLU50A, GLU64A, GLU68A, GLU87B, GLY131A, GLY133A, GLY140A, GLY152A, GLY159A, GLY159B, GLY176B, GLY241B, GLY245B, GLY246B, GLY287B, GLY301A, GLY69A, GLY70A, GLY74A, GLY78B, GLY91B, HIS139A, HIS163B, HIS228B, HIS297B, HIS298B, ILE153A, ILE211B, ILE226B, ILE285B, ILE79B, LEU135A, LEU136A, LEU172B, LEU177B, LEU208B, LEU253A, LEU259A, LEU263B, LEU264B, LEU302A, LEU53A, LEU66A, LEU81B, LEU95B, LYS126A, LYS143A, LYS143B, LYS151A, LYS184B, LYS204B, LYS213B, LYS233B, LYS307A, MET201B, MET286A, MET57A, MET57B, PHE141A, PHE165B, PHE240B, PHE255A, PHE306A, PHE52A, PRO144A, PRO156A, PRO210B, PRO223B, PRO229B, PRO231B, PRO250A, PRO250B, PRO251A, PRO271B, PRO303A, PRO55A, PRO60A, PRO61A, PRO63A, PRO90B, PRO96B, SER124A, SER132A, SER134A, SER154A, SER160B, SER65A, SER84B, SER89B, THR127A, THR145A, THR147A, THR150A, THR155A, THR179B, THR183B, THR237B, THR244B, THR247B, THR248A, THR248B, THR249A, THR249B, THR256A, THR258A, THR260A, THR261B, THR291A, THR291B, THR309A, THR62A, THR67A, THR83B, THR86B, THR94B, TRP227B, TRP288B, TRP299B, TRP75A, TRP98B, TYR162B, TYR185B, TYR239B, TYR243B, TYR294B, TYR305A, TYR72A, TYR73A, VAL129A, VAL130A, VAL138A, VAL148A, VAL157A, VAL164B, VAL167B, VAL178B, VAL202B, VAL207B, VAL224B, VAL252A, VAL262B, VAL283B, VAL290B, VAL296B
• A-E: ALA166A, ALA181A, ALA232A, ALA51E, ALA82A, ARG182A, ARG238A, ARG289A, ARG289E, ARG292E, ARG300E, ARG304E, ARG56E, ASN142E, ASN149E, ASN203A, ASN209A, ASN234A, ASN236A, ASN242A, ASN257E, ASN293A, ASN293E, ASN54E, ASN80A, ASP137E, ASP146E, ASP173A, ASP180A, ASP200A, ASP205A, ASP230A, ASP265A, ASP295A, ASP85A, ASP88A, GLN161A, GLN161E, GLN175A, GLN206A, GLN254E, GLN59E, GLN71E, GLU128E, GLU158A, GLU158E, GLU225A, GLU235A, GLU266A, GLU48E, GLU50E, GLU64E, GLU68E, GLU87A, GLY131E, GLY133E, GLY140E, GLY152E, GLY159A, GLY159E, GLY176A, GLY241A, GLY245A, GLY246A, GLY287A, GLY301E, GLY69E, GLY70E, GLY74E, GLY78A, GLY91A, HIS139E, HIS163A, HIS228A, HIS297A, HIS298A, ILE153E, ILE211A, ILE226A, ILE285A, ILE79A, LEU135E, LEU136E, LEU172A, LEU177A, LEU208A, LEU253E, LEU259E, LEU263A, LEU264A, LEU302E, LEU53E, LEU66E, LEU81A, LEU95A, LYS126E, LYS143A, LYS143E, LYS151E, LYS184A, LYS204A, LYS213A, LYS233A, LYS307E, MET201A, MET286E, MET57A, MET57E, PHE141E, PHE165A, PHE240A, PHE255E, PHE306E, PHE52E, PRO144E, PRO156E, PRO210A, PRO223A, PRO229A, PRO231A, PRO250A, PRO250E, PRO251E, PRO271A, PRO303E, PRO55E, PRO60E, PRO61E, PRO63E, PRO90A, PRO96A, SER124E, SER132E, SER134E, SER154E, SER160A, SER65E, SER84A, SER89A, THR127E, THR145E, THR147E, THR150E, THR155E, THR179A, THR183A, THR237A, THR244A, THR247A, THR248A, THR248E, THR249A, THR249E, THR256E, THR258E, THR260E, THR261A, THR291A, THR291E, THR309E, THR62E, THR67E, THR83A, THR86A, THR94A, TRP227A, TRP288A, TRP299A, TRP75E, TRP98A, TYR162A, TYR185A, TYR239A, TYR243A, TYR294A, TYR305E, TYR72E, TYR73E, VAL129E, VAL130E, VAL138E, VAL157E, VAL164A, VAL167A, VAL178A, VAL202A, VAL207A, VAL224A, VAL252E, VAL262A, VAL283A, VAL290A, VAL296A
• B-C: ALA166C, ALA181C, ALA232C, ALA51B, ALA82C, ARG182C, ARG238C, ARG289B, ARG289C, ARG292B, ARG292C, ARG300B, ARG304B, ARG56B, ASN142B, ASN149B, ASN203C, ASN209C, ASN234C, ASN236C, ASN242C, ASN257B, ASN293B, ASN293C, ASN54B, ASN80C, ASP137B, ASP146B, ASP173C, ASP180C, ASP200C, ASP205C, ASP230C, ASP265C, ASP295C, ASP85C, ASP88C, GLN161B, GLN161C, GLN175C, GLN206C, GLN254B, GLN59B, GLN71B, GLU128B, GLU158B, GLU158C, GLU225C, GLU235C, GLU266C, GLU48B, GLU50B, GLU64B, GLU68B, GLU87C, GLY131B, GLY133B, GLY140B, GLY152B, GLY159B, GLY159C, GLY176C, GLY241C, GLY245C, GLY246C, GLY287C, GLY301B, GLY69B, GLY70B, GLY74B, GLY78C, GLY91C, HIS139B, HIS163C, HIS228C, HIS297C, HIS298C, ILE153B, ILE211C, ILE226C, ILE285C, ILE79C, LEU135B, LEU136B, LEU172C, LEU174C, LEU177C, LEU208C, LEU253B, LEU259B, LEU263C, LEU264C, LEU302B, LEU53B, LEU66B, LEU81C, LEU95C, LYS126B, LYS143B, LYS143C, LYS151B, LYS184C, LYS204C, LYS213C, LYS233C, LYS307B, MET201C, MET286B, MET57B, MET57C, PHE141B, PHE165C, PHE240C, PHE255B, PHE306B, PHE52B, PRO144B, PRO156B, PRO210C, PRO223C, PRO229C, PRO231C, PRO250B, PRO250C, PRO251B, PRO271C, PRO303B, PRO55B, PRO60B, PRO61B, PRO63B, PRO90C, PRO96C, SER124B, SER132B, SER134B, SER154B, SER160C, SER65B, SER84C, SER89C, THR127B, THR145B, THR147B, THR150B, THR155B, THR179C, THR183C, THR237C, THR244C, THR247C, THR248B, THR248C, THR249B, THR249C, THR256B, THR258B, THR260B, THR261C, THR291B, THR291C, THR309B, THR62B, THR67B, THR83C, THR86C, THR94C, TRP227C, TRP288C, TRP299C, TRP75B, TRP98C, TYR162C, TYR185C, TYR239C, TYR243C, TYR294C, TYR305B, TYR72B, TYR73B, VAL129B, VAL130B, VAL138B, VAL148B, VAL157B, VAL164C, VAL167C, VAL178C, VAL202C, VAL207C, VAL224C, VAL252B, VAL262C, VAL283C, VAL290C, VAL296C
• C-D: ALA166D, ALA181D, ALA232D, ALA51C, ALA82D, ARG182D, ARG238D, ARG289C, ARG289D, ARG292C, ARG300C, ARG304C, ARG56C, ASN142C, ASN149C, ASN203D, ASN209D, ASN234D, ASN236D, ASN242D, ASN257C, ASN293C, ASN293D, ASN54C, ASN80D, ASP137C, ASP146C, ASP173D, ASP180D, ASP200D, ASP205D, ASP230D, ASP265D, ASP295D, ASP85D, ASP88D, GLN161C, GLN161D, GLN175D, GLN206D, GLN254C, GLN59C, GLN71C, GLU128C, GLU158C, GLU158D, GLU225D, GLU235D, GLU266D, GLU48C, GLU50C, GLU64C, GLU68C, GLU87D, GLY131C, GLY133C, GLY140C, GLY152C, GLY159C, GLY159D, GLY176D, GLY241D, GLY245D, GLY246D, GLY287D, GLY301C, GLY69C, GLY70C, GLY74C, GLY78D, GLY91D, HIS139C, HIS163D, HIS228D, HIS297D, HIS298D, ILE153C, ILE211D, ILE226D, ILE285D, ILE79D, LEU135C, LEU136C, LEU172D, LEU177D, LEU208D, LEU253C, LEU259C, LEU263D, LEU264D, LEU302C, LEU53C, LEU66C, LEU81D, LEU95D, LYS126C, LYS143C, LYS143D, LYS151C, LYS184D, LYS204D, LYS213D, LYS233D, LYS307C, MET201D, MET286C, MET57C, MET57D, PHE141C, PHE165D, PHE240D, PHE255C, PHE306C, PHE52C, PRO144C, PRO156C, PRO210D, PRO223D, PRO229D, PRO231D, PRO250C, PRO250D, PRO251C, PRO271D, PRO303C, PRO55C, PRO60C, PRO61C, PRO63C, PRO90D, PRO96D, SER124C, SER132C, SER134C, SER154C, SER160D, SER65C, SER84D, SER89D, THR127C, THR145C, THR147C, THR150C, THR155C, THR179D, THR183D, THR237D, THR244D, THR247D, THR248C, THR248D, THR249C, THR249D, THR256C, THR258C, THR260C, THR261D, THR291C, THR291D, THR309C, THR62C, THR67C, THR83D, THR86D, THR94D, TRP227D, TRP288D, TRP299D, TRP75C, TRP98D, TYR162D, TYR185D, TYR239D, TYR243D, TYR294D, TYR305C, TYR72C, TYR73C, VAL129C, VAL130C, VAL138C, VAL148C, VAL157C, VAL164D, VAL178D, VAL202D, VAL207D, VAL224D, VAL252C, VAL262D, VAL283D, VAL290D, VAL296D
• D-E: ALA166E, ALA181E, ALA232E, ALA51D, ALA82E, ARG182E, ARG238E, ARG289D, ARG289E, ARG292D, ARG292E, ARG300D, ARG304D, ARG56D, ASN142D, ASN149D, ASN203E, ASN209E, ASN234E, ASN236E, ASN242E, ASN257D, ASN293D, ASN293E, ASN54D, ASN80E, ASP137D, ASP146D, ASP173E, ASP180E, ASP200E, ASP205E, ASP230E, ASP265E, ASP295E, ASP85E, ASP88E, GLN161D, GLN161E, GLN175E, GLN206E, GLN254D, GLN59D, GLN71D, GLU128D, GLU158D, GLU158E, GLU225E, GLU235E, GLU266E, GLU48D, GLU50D, GLU64D, GLU68D, GLU87E, GLY131D, GLY133D, GLY140D, GLY152D, GLY159D, GLY159E, GLY176E, GLY241E, GLY245E, GLY246E, GLY287E, GLY301D, GLY69D, GLY70D, GLY74D, GLY78E, GLY91E, HIS139D, HIS163E, HIS228E, HIS297E, HIS298E, ILE153D, ILE211E, ILE226E, ILE285E, ILE79E, LEU135D, LEU136D, LEU172E, LEU177E, LEU208E, LEU253D, LEU259D, LEU263E, LEU264E, LEU302D, LEU53D, LEU66D, LEU81E, LEU95E, LYS126D, LYS143D, LYS143E, LYS151D, LYS184E, LYS204E, LYS213E, LYS233E, LYS307D, MET201E, MET286D, MET57D, MET57E, PHE141D, PHE165E, PHE240E, PHE255D, PHE306D, PHE52D, PRO144D, PRO156D, PRO210E, PRO223E, PRO229E, PRO231E, PRO250D, PRO250E, PRO251D, PRO271E, PRO303D, PRO55D, PRO60D, PRO61D, PRO63D, PRO90E, PRO96E, SER124D, SER132D, SER134D, SER154D, SER160E, SER65D, SER84E, SER89E, 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, TRP75D, TRP98E, TYR162E, TYR185E, TYR239E, TYR243E, TYR294E, TYR305D, TYR72D, TYR73D, VAL129D, VAL130D, VAL138D, VAL148D, VAL157D, VAL164E, VAL167E, VAL178E, VAL202E, VAL207E, VAL224E, VAL252D, VAL262E, VAL283E, VAL290E, VAL296E