3NXD

jc polyomavirus vp1 in complex with lstc

• Total interactions analyzed: 10
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 189
  • Norm. En. per Res.: -5.2708
• Hub Node: C(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
C-B	-160.9932	-54.8187	-745.296	-961.1079	187	23	12	27166	4	38	28
C-D	-176.4393	-53.0926	-766.64	-996.1718	189	30	12	27427	4	38	28
B-A	-157.0505	-50.551	-761.426	-969.0275	186	31	12	27367	4	34	28
A-E	-166.9184	-62.5626	-759.274	-988.755	189	28	12	27403	5	36	28
D-E	-172.2084	-44.6879	-746.159	-963.0553	189	29	12	27246	4	36	28

Interface residues

• C-B: ALA126B, ALA132B, ALA232B, ARG161C, ARG206C, ARG211C, ARG265B, ARG265C, ARG272B, ARG276B, ARG55B, ASN119B, ASN123B, ASN130B, ASN159C, ASN182C, ASN207C, ASN209C, ASN221B, ASN221C, ASN230B, ASN264B, ASN264C, ASN73C, ASP129B, ASP203C, ASP238C, ASP257C, ASP49B, ASP51B, ASP65C, ASP70C, CYS199C, CYS259B, CYS259C, CYS41B, GLN125B, GLN125C, GLN137B, GLN154C, GLN177C, GLN179C, GLN269C, GLN270B, GLN270C, GLN281B, GLU110B, GLU152C, GLU198C, GLU208C, GLU220C, GLU239C, GLU40B, GLU46B, GLU52B, GLU68C, GLY113B, GLY124B, GLY131B, GLY133B, GLY138B, GLY138C, GLY155C, GLY214C, GLY218C, GLY219C, GLY260C, GLY267C, GLY273B, GLY56B, HIS121B, HIS128B, HIS142C, HIS227B, HIS53B, ILE112B, ILE228B, ILE36B, ILE61C, ILE63C, LEU117B, LEU151C, LEU153C, LEU157C, LEU216C, LEU226B, LEU236C, LEU237C, LEU274B, LEU43B, LEU54B, LEU77C, LYS108B, LYS134B, LYS134C, LYS163C, LYS186C, LYS193B, LYS279B, MET118B, MET181C, MET261B, MET261C, MET47B, MET47C, MET76C, PHE141C, PHE143C, PHE144C, PHE158C, PHE213C, PHE240C, PHE262B, PHE262C, PHE278B, PHE42B, PHE57B, PHE67C, PRO135B, PRO165C, PRO196C, PRO202C, PRO204C, PRO223B, PRO223C, PRO224B, PRO244C, PRO45B, PRO50B, PRO72C, PRO78C, SER116B, SER122B, SER140C, SER145C, SER178C, SER266C, SER268C, SER275B, SER60C, SER62C, SER64C, SER69C, SER71C, THR106B, THR109B, THR115B, THR127B, THR139C, THR162C, THR175C, THR183C, THR205C, THR210C, THR215C, THR217C, THR229B, THR231B, THR233B, THR234C, THR263B, THR263C, THR44B, THR66C, TRP200C, TRP271C, TYR160C, TYR164C, TYR212C, TYR277B, TYR80C, VAL111B, VAL114B, VAL120B, VAL136B, VAL146C, VAL156C, VAL176C, VAL180C, VAL197C, VAL201C, VAL222B, VAL222C, VAL225B, VAL235C, VAL256C, VAL258C
• C-D: ALA126C, ALA132C, ALA232C, ARG161D, ARG206D, ARG211D, ARG265C, ARG265D, ARG272C, ARG276C, ARG55C, ASN119C, ASN123C, ASN130C, ASN159D, ASN182D, ASN207D, ASN209D, ASN221C, ASN221D, ASN230C, ASN264C, ASN264D, ASN73D, ASP129C, ASP203D, ASP238D, ASP257D, ASP49C, ASP51C, ASP65D, ASP70D, CYS199D, CYS259C, CYS259D, CYS41C, GLN125C, GLN125D, GLN137C, GLN154D, GLN177D, GLN179D, GLN269D, GLN270C, GLN270D, GLN281C, GLU110C, GLU152D, GLU198D, GLU208D, GLU220C, GLU220D, GLU239D, GLU38C, GLU40C, GLU46C, GLU52C, GLU68D, GLY113C, GLY124C, GLY131C, GLY133C, GLY138C, GLY138D, GLY155D, GLY214D, GLY218D, GLY219D, GLY260D, GLY267D, GLY273C, GLY56C, HIS121C, HIS128C, HIS142D, HIS227C, HIS53C, ILE112C, ILE228C, ILE36C, ILE61D, ILE63D, LEU117C, LEU151D, LEU153D, LEU157D, LEU216D, LEU226C, LEU236D, LEU237D, LEU274C, LEU43C, LEU54C, LEU77D, LYS108C, LYS134C, LYS134D, LYS163D, LYS186D, LYS193C, LYS279C, MET118C, MET181D, MET261C, MET261D, MET47C, MET47D, MET76D, PHE141D, PHE143D, PHE144D, PHE158D, PHE213D, PHE240D, PHE262C, PHE262D, PHE278C, PHE42C, PHE57C, PHE67D, PRO135C, PRO165D, PRO196D, PRO202D, PRO204D, PRO223C, PRO223D, PRO224C, PRO244D, PRO45C, PRO50C, PRO72D, PRO78D, SER116C, SER122C, SER140D, SER145D, SER178D, SER266D, SER268D, SER275C, SER60D, SER62D, SER64D, SER69D, SER71D, THR106C, THR109C, THR115C, THR127C, THR139D, THR162D, THR175D, THR183D, THR205D, THR210D, THR215D, THR217D, THR229C, THR231C, THR233C, THR234D, THR263C, THR263D, THR44C, THR66D, TRP200D, TRP271D, TYR160D, TYR164D, TYR212D, TYR277C, TYR80D, VAL111C, VAL114C, VAL120C, VAL136C, VAL146D, VAL156D, VAL176D, VAL180D, VAL197D, VAL201D, VAL222C, VAL222D, VAL225C, VAL235D, VAL256D, VAL258D
• B-A: ALA126A, ALA132A, ALA232A, ARG161B, ARG206B, ARG211B, ARG265A, ARG265B, ARG272A, ARG276A, ARG55A, ASN119A, ASN123A, ASN130A, ASN159B, ASN182B, ASN207B, ASN209B, ASN221A, ASN221B, ASN230A, ASN264A, ASN264B, ASN73B, ASP129A, ASP203B, ASP238B, ASP257B, ASP49A, ASP51A, ASP65B, ASP70B, CYS199B, CYS259A, CYS259B, CYS41A, GLN125A, GLN125B, GLN137A, GLN154B, GLN177B, GLN179B, GLN269B, GLN270A, GLN270B, GLN281A, GLU110A, GLU152B, GLU198B, GLU208B, GLU220B, GLU239B, GLU40A, GLU46A, GLU52A, GLU68B, GLY113A, GLY124A, GLY131A, GLY133A, GLY138A, GLY138B, GLY155B, GLY214B, GLY218B, GLY219B, GLY260B, GLY267B, GLY273A, GLY56A, HIS121A, HIS128A, HIS142B, HIS227A, HIS53A, ILE112A, ILE228A, ILE61B, ILE63B, LEU117A, LEU151B, LEU153B, LEU157B, LEU216B, LEU226A, LEU236B, LEU237B, LEU274A, LEU43A, LEU54A, LEU77B, LYS108A, LYS134A, LYS134B, LYS163B, LYS186B, LYS193A, LYS279A, MET118A, MET181B, MET261A, MET261B, MET47A, MET47B, MET76B, PHE141B, PHE143B, PHE144B, PHE158B, PHE213B, PHE240B, PHE262A, PHE262B, PHE278A, PHE42A, PHE57A, PHE67B, PRO135A, PRO165B, PRO196B, PRO202B, PRO204B, PRO223A, PRO223B, PRO224A, PRO244B, PRO45A, PRO50A, PRO72B, PRO78B, SER116A, SER122A, SER140B, SER145B, SER178B, SER266B, SER268B, SER275A, SER60B, SER62B, SER64B, SER69B, SER71B, THR106A, THR109A, THR115A, THR127A, THR139B, THR162B, THR175B, THR183B, THR205B, THR210B, THR215B, THR217B, THR229A, THR231A, THR233A, THR234B, THR263A, THR263B, THR44A, THR66B, TRP200B, TRP271B, TYR160B, TYR164B, TYR212B, TYR277A, TYR80B, VAL111A, VAL114A, VAL120A, VAL136A, VAL146B, VAL156B, VAL176B, VAL180B, VAL197B, VAL201B, VAL222A, VAL222B, VAL225A, VAL235B, VAL256B, VAL258B
• A-E: ALA126E, ALA132E, ALA232E, ARG161A, ARG206A, ARG211A, ARG265A, ARG265E, ARG272E, ARG276E, ARG55E, ASN119E, ASN123E, ASN130E, ASN159A, ASN182A, ASN207A, ASN209A, ASN221A, ASN221E, ASN230E, ASN264A, ASN264E, ASN73A, ASP129E, ASP203A, ASP238A, ASP257A, ASP49E, ASP51E, ASP65A, ASP70A, CYS199A, CYS259A, CYS259E, CYS41E, GLN125A, GLN125E, GLN137A, GLN137E, GLN154A, GLN177A, GLN179A, GLN269A, GLN270A, GLN270E, GLN281E, GLU110E, GLU152A, GLU198A, GLU208A, GLU220A, GLU220E, GLU239A, GLU40E, GLU46E, GLU52E, GLU68A, GLY113E, GLY124E, GLY131E, GLY133E, GLY138A, GLY138E, GLY155A, GLY214A, GLY218A, GLY219A, GLY260A, GLY267A, GLY273E, GLY56E, HIS121E, HIS128E, HIS142A, HIS227E, HIS53E, ILE112E, ILE228E, ILE36E, ILE61A, ILE63A, LEU117E, LEU151A, LEU153A, LEU157A, LEU216A, LEU226E, LEU236A, LEU237A, LEU274E, LEU43E, LEU54E, LEU77A, LYS108E, LYS134A, LYS134E, LYS163A, LYS186A, LYS193E, LYS279E, MET118E, MET181A, MET261A, MET261E, MET47A, MET47E, MET76A, PHE141A, PHE143A, PHE144A, PHE158A, PHE213A, PHE240A, PHE262A, PHE262E, PHE278E, PHE42E, PHE57E, PHE67A, PRO135E, PRO165A, PRO196A, PRO202A, PRO204A, PRO223A, PRO223E, PRO224E, PRO244A, PRO45E, PRO50E, PRO72A, PRO78A, SER116E, SER122E, SER140A, SER145A, SER178A, SER266A, SER268A, SER275E, SER60A, SER62A, SER64A, SER69A, SER71A, THR106E, THR109E, THR115E, THR127E, THR139A, THR162A, THR175A, THR183A, THR205A, THR210A, THR215A, THR217A, THR229E, THR231E, THR233E, THR234A, THR263A, THR263E, THR44E, THR66A, TRP200A, TRP271A, TYR160A, TYR164A, TYR212A, TYR277E, TYR80A, VAL111E, VAL114E, VAL120E, VAL136E, VAL146A, VAL156A, VAL176A, VAL180A, VAL197A, VAL201A, VAL222A, VAL222E, VAL225E, VAL235A, VAL256A, VAL258A
• D-E: ALA126D, ALA132D, ALA232D, ARG161E, ARG206E, ARG211E, ARG265D, ARG265E, ARG272D, ARG276D, ARG55D, ASN119D, ASN123D, ASN130D, ASN159E, ASN182E, ASN207E, ASN209E, ASN221D, ASN221E, ASN230D, ASN264D, ASN264E, ASN73E, ASP129D, ASP203E, ASP238E, ASP257E, ASP49D, ASP51D, ASP65E, ASP70E, CYS199E, CYS259D, CYS259E, CYS41D, GLN125D, GLN125E, GLN137D, GLN137E, GLN154E, GLN177E, GLN179E, GLN269E, GLN270D, GLN270E, GLN281D, GLU110D, GLU152E, GLU198E, GLU208E, GLU220D, GLU220E, GLU239E, GLU40D, GLU46D, GLU52D, GLU68E, GLY113D, GLY124D, GLY131D, GLY133D, GLY138D, GLY138E, GLY155E, GLY214E, GLY218E, GLY219E, GLY260E, GLY267E, GLY273D, GLY56D, HIS121D, HIS128D, HIS142E, HIS227D, HIS53D, ILE112D, ILE228D, ILE36D, ILE61E, ILE63E, LEU117D, LEU151E, LEU153E, LEU157E, LEU216E, LEU226D, LEU236E, LEU237E, LEU274D, LEU43D, LEU54D, LEU77E, LYS108D, LYS134D, LYS134E, LYS163E, LYS186E, LYS193D, LYS279D, MET118D, MET181E, MET261D, MET261E, MET47D, MET47E, MET76E, PHE141E, PHE143E, PHE144E, PHE158E, PHE213E, PHE240E, PHE262D, PHE262E, PHE278D, PHE42D, PHE57D, PHE67E, PRO135D, PRO165E, PRO196E, PRO202E, PRO204E, PRO223D, PRO223E, PRO224D, PRO244E, PRO45D, PRO50D, PRO72E, PRO78E, SER116D, SER122D, SER140E, SER145E, SER178E, SER266E, SER268E, SER275D, SER60E, SER62E, SER64E, SER69E, SER71E, THR106D, THR109D, THR115D, THR127D, THR139E, THR162E, THR175E, THR183E, THR205E, THR210E, THR215E, THR217E, THR229D, THR231D, THR233D, THR234E, THR263D, THR263E, THR44D, THR66E, TRP200E, TRP271E, TYR160E, TYR164E, TYR212E, TYR277D, TYR80E, VAL111D, VAL114D, VAL120D, VAL136D, VAL146E, VAL156E, VAL176E, VAL180E, VAL197E, VAL201E, VAL222D, VAL222E, VAL225D, VAL235E, VAL256E, VAL258E