3S7X

unassembled washington university polyomavirus vp1 pentamer r198k mutant

• Total interactions analyzed: 10
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-E
  • Int. Res.: 178
  • Norm. En. per Res.: -4.0718
• 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	-124.0975	-42.7788	-541.576	-708.4523	177	31	21	22779	4	30	25
A-E	-137.0045	-42.3732	-545.399	-724.7768	178	31	22	22876	4	30	23
B-C	-123.8465	-39.466	-544.959	-708.2715	178	33	21	22690	4	29	23
C-D	-128.2528	-41.2923	-542.949	-712.4941	177	35	22	22744	4	28	23
D-E	-126.4362	-42.9981	-546.742	-716.1763	177	38	22	23002	4	29	23

Interface residues

• A-B: ALA134A, ALA146A, ALA146B, ALA154B, ALA166B, ALA213B, ALA231A, ALA231B, ALA232A, ALA232B, ALA267B, ALA80B, ALA82B, ALA83B, ALA89B, ARG121A, ARG217B, ARG222B, ARG226B, ARG276A, ARG276B, ARG283A, ARG286A, ASN133A, ASN218B, ASN220B, ASN241A, ASN242A, ASN273A, ASN273B, ASN275B, ASN84B, ASP214B, ASP219B, ASP249B, ASP88B, ASP90B, CYS221B, GLN149A, GLN149B, GLN158B, GLU123A, GLU125A, GLU169B, GLU209B, GLU250B, GLU53A, GLU81B, GLY135A, GLY140A, GLY141A, GLY143A, GLY144A, GLY147A, GLY147B, GLY156B, GLY164B, GLY173B, GLY225B, GLY229B, GLY230B, GLY271A, GLY271B, GLY280A, HIS189B, HIS278A, HIS278B, HIS288A, HIS69A, ILE136A, ILE145A, ILE208B, ILE245B, ILE255B, ILE60A, ILE73A, LEU127A, LEU129A, LEU132A, LEU137A, LEU150B, LEU160B, LEU163B, LEU165B, LEU247B, LEU248B, LEU269B, LEU270A, LEU270B, LEU281A, LEU54A, LEU77B, LYS170B, LYS172B, LYS198B, LYS274A, LYS51A, LYS57A, LYS78B, MET227B, PHE152B, PHE224B, PHE239A, PHE284A, PHE285A, PHE55A, PRO130A, PRO148B, PRO167B, PRO174B, PRO181B, PRO188B, PRO215B, PRO234A, PRO234B, PRO235A, PRO246B, PRO58A, PRO76A, PRO87B, SER192B, SER193B, SER194B, SER207B, SER210B, SER216B, SER238A, SER240A, SER243A, SER282A, SER72A, SER74A, SER74B, SER75A, THR124A, THR138A, THR139A, THR168B, THR196B, THR233A, THR233B, THR244A, THR279A, THR279B, THR79B, THR86B, THR91B, THR92B, TRP153B, TRP211B, TRP71A, TYR151A, TYR151B, TYR171B, TYR191B, TYR223B, TYR70A, TYR95B, VAL126A, VAL128A, VAL131A, VAL142A, VAL155B, VAL162B, VAL187B, VAL190B, VAL212B, VAL228B, VAL236A, VAL237A, VAL272A, VAL272B, VAL277B, VAL56A, VAL59A, VAL85B, VAL93B
• A-E: ALA134E, ALA146A, ALA146E, ALA154A, ALA166A, ALA213A, ALA231A, ALA231E, ALA232A, ALA232E, ALA267A, ALA80A, ALA82A, ALA83A, ALA89A, ARG121E, ARG217A, ARG222A, ARG226A, ARG276A, ARG276E, ARG283E, ARG286E, ASN133E, ASN218A, ASN220A, ASN241E, ASN242E, ASN273A, ASN273E, ASN275A, ASN84A, ASP214A, ASP219A, ASP249A, ASP88A, ASP90A, CYS221A, GLN149A, GLN149E, GLN158A, GLU123E, GLU125E, GLU169A, GLU209A, GLU250A, GLU53E, GLU81A, GLY135E, GLY140E, GLY141E, GLY143E, GLY144E, GLY147A, GLY147E, GLY156A, GLY164A, GLY173A, GLY225A, GLY229A, GLY230A, GLY271A, GLY271E, GLY280E, HIS189A, HIS278A, HIS278E, HIS288E, HIS69E, ILE136E, ILE145E, ILE208A, ILE245A, ILE255A, ILE60E, ILE73E, LEU127E, LEU129E, LEU132E, LEU137E, LEU150A, LEU160A, LEU163A, LEU165A, LEU247A, LEU248A, LEU269A, LEU270A, LEU270E, LEU281E, LEU54E, LEU77A, LYS170A, LYS172A, LYS198A, LYS274E, LYS51E, LYS57E, LYS78A, MET227A, PHE152A, PHE224A, PHE239E, PHE284E, PHE285E, PHE55E, PRO130E, PRO148A, PRO167A, PRO174A, PRO181A, PRO188A, PRO215A, PRO234A, PRO234E, PRO235E, PRO246A, PRO58E, PRO76E, PRO87A, SER192A, SER193A, SER194A, SER207A, SER210A, SER216A, SER238E, SER240E, SER243E, SER282E, SER31A, SER72E, SER74A, SER74E, SER75E, THR124E, THR138E, THR139E, THR168A, THR196A, THR233A, THR233E, THR244E, THR279A, THR279E, THR79A, THR86A, THR91A, THR92A, TRP153A, TRP211A, TRP71E, TYR151A, TYR151E, TYR171A, TYR191A, TYR223A, TYR70E, TYR95A, VAL126E, VAL128E, VAL131E, VAL142E, VAL155A, VAL162A, VAL187A, VAL190A, VAL212A, VAL228A, VAL236E, VAL237E, VAL272A, VAL272E, VAL277A, VAL56E, VAL59E, VAL85A, VAL93A
• B-C: ALA134B, ALA146B, ALA146C, ALA154C, ALA166C, ALA213C, ALA231B, ALA231C, ALA232B, ALA232C, ALA267C, ALA80C, ALA82C, ALA83C, ALA89C, ARG121B, ARG217C, ARG222C, ARG226C, ARG276B, ARG276C, ARG283B, ARG286B, ASN133B, ASN218C, ASN220C, ASN241B, ASN242B, ASN251C, ASN273B, ASN273C, ASN275C, ASN84C, ASP214C, ASP219C, ASP249C, ASP88C, ASP90C, CYS221C, GLN149B, GLN149C, GLN158C, GLU123B, GLU125B, GLU169C, GLU209C, GLU250C, GLU53B, GLU81C, GLY135B, GLY140B, GLY141B, GLY143B, GLY144B, GLY147B, GLY147C, GLY156C, GLY164C, GLY173C, GLY225C, GLY229C, GLY230C, GLY271B, GLY271C, GLY280B, HIS189C, HIS278B, HIS278C, HIS288B, HIS69B, ILE136B, ILE145B, ILE208C, ILE245C, ILE255C, ILE60B, ILE73B, LEU127B, LEU129B, LEU132B, LEU137B, LEU150C, LEU160C, LEU163C, LEU165C, LEU247C, LEU248C, LEU269C, LEU270B, LEU270C, LEU281B, LEU54B, LEU77C, LYS170C, LYS172C, LYS198C, LYS274B, LYS51B, LYS57B, LYS78C, MET227C, PHE152C, PHE224C, PHE239B, PHE284B, PHE285B, PHE55B, PRO130B, PRO148C, PRO167C, PRO174C, PRO181C, PRO188C, PRO215C, PRO234B, PRO234C, PRO235B, PRO246C, PRO58B, PRO76B, PRO87C, SER192C, SER193C, SER194C, SER207C, SER210C, SER216C, SER238B, SER240B, SER243B, SER282B, SER72B, SER74B, SER74C, SER75B, THR124B, THR138B, THR139B, THR168C, THR196C, THR233B, THR233C, THR244B, THR279B, THR279C, THR79C, THR86C, THR91C, THR92C, TRP153C, TRP211C, TRP71B, TYR151B, TYR151C, TYR171C, TYR191C, TYR223C, TYR70B, TYR95C, VAL126B, VAL128B, VAL131B, VAL142B, VAL155C, VAL162C, VAL187C, VAL190C, VAL212C, VAL228C, VAL236B, VAL237B, VAL272B, VAL272C, VAL277C, VAL56B, VAL59B, VAL85C, VAL93C
• C-D: ALA134C, ALA146C, ALA146D, ALA154D, ALA166D, ALA213D, ALA231C, ALA231D, ALA232C, ALA232D, ALA267D, ALA80D, ALA82D, ALA83D, ALA89D, ARG121C, ARG217D, ARG222D, ARG226D, ARG276C, ARG276D, ARG283C, ARG286C, ASN133C, ASN218D, ASN220D, ASN241C, ASN242C, ASN273C, ASN273D, ASN275D, ASN84D, ASP214D, ASP219D, ASP249D, ASP88D, ASP90D, CYS221D, GLN149C, GLN149D, GLN158D, GLU123C, GLU125C, GLU169D, GLU209D, GLU250D, GLU53C, GLU81D, GLY135C, GLY140C, GLY141C, GLY143C, GLY144C, GLY147C, GLY147D, GLY156D, GLY164D, GLY173D, GLY225D, GLY229D, GLY230D, GLY271C, GLY271D, GLY280C, HIS189D, HIS278C, HIS278D, HIS288C, HIS69C, ILE136C, ILE145C, ILE208D, ILE245D, ILE255D, ILE60C, ILE73C, LEU127C, LEU129C, LEU132C, LEU137C, LEU150D, LEU160D, LEU163D, LEU165D, LEU247D, LEU248D, LEU269D, LEU270C, LEU270D, LEU281C, LEU54C, LEU77D, LYS170D, LYS172D, LYS198D, LYS274C, LYS51C, LYS57C, LYS78D, MET227D, PHE152D, PHE224D, PHE239C, PHE284C, PHE285C, PHE55C, PRO130C, PRO148D, PRO167D, PRO174D, PRO181D, PRO188D, PRO215D, PRO234C, PRO234D, PRO235C, PRO246D, PRO58C, PRO76C, PRO87D, SER192D, SER193D, SER194D, SER207D, SER210D, SER216D, SER238C, SER240C, SER243C, SER282C, SER72C, SER74C, SER74D, SER75C, THR124C, THR138C, THR139C, THR168D, THR196D, THR233C, THR233D, THR244C, THR279C, THR279D, THR79D, THR86D, THR91D, THR92D, TRP153D, TRP211D, TRP71C, TYR151C, TYR151D, TYR171D, TYR191D, TYR223D, TYR70C, TYR95D, VAL126C, VAL128C, VAL131C, VAL142C, VAL155D, VAL162D, VAL187D, VAL190D, VAL212D, VAL228D, VAL236C, VAL237C, VAL272C, VAL272D, VAL277D, VAL56C, VAL59C, VAL85D, VAL93D
• D-E: ALA134D, ALA146D, ALA146E, ALA154E, ALA166E, ALA213E, ALA231D, ALA231E, ALA232D, ALA232E, ALA267E, ALA80E, ALA82E, ALA83E, ALA89E, ARG121D, ARG217E, ARG222E, ARG226E, ARG276D, ARG276E, ARG283D, ARG286D, ASN133D, ASN218E, ASN220E, ASN241D, ASN242D, ASN273D, ASN273E, ASN275E, ASN84E, ASP214E, ASP219E, ASP249E, ASP88E, ASP90E, CYS221E, GLN149D, GLN149E, GLN158E, GLU123D, GLU125D, GLU169E, GLU209E, GLU250E, GLU53D, GLU81E, GLY135D, GLY140D, GLY141D, GLY143D, GLY144D, GLY147D, GLY147E, GLY156E, GLY164E, GLY173E, GLY225E, GLY229E, GLY230E, GLY271D, GLY271E, GLY280D, HIS189E, HIS278D, HIS278E, HIS288D, HIS69D, ILE136D, ILE145D, ILE208E, ILE245E, ILE255E, ILE60D, ILE73D, LEU127D, LEU129D, LEU132D, LEU137D, LEU150E, LEU160E, LEU163E, LEU165E, LEU247E, LEU248E, LEU269E, LEU270D, LEU270E, LEU281D, LEU54D, LEU77E, LYS170E, LYS172E, LYS198E, LYS274D, LYS51D, LYS57D, LYS78E, MET227E, PHE152E, PHE224E, PHE239D, PHE284D, PHE285D, PHE55D, PRO130D, PRO148E, PRO167E, PRO174E, PRO181E, PRO188E, PRO215E, PRO234D, PRO234E, PRO235D, PRO246E, PRO58D, PRO76D, PRO87E, SER192E, SER193E, SER194E, SER207E, SER210E, SER216E, SER238D, SER240D, SER243D, SER282D, SER72D, SER74D, SER74E, SER75D, THR124D, THR138D, THR139D, THR168E, THR196E, THR233D, THR233E, THR244D, THR279D, THR279E, THR79E, THR86E, THR91E, THR92E, TRP153E, TRP211E, TRP71D, TYR151D, TYR151E, TYR171E, TYR191E, TYR223E, TYR70D, TYR95E, VAL126D, VAL128D, VAL131D, VAL142D, VAL155E, VAL162E, VAL187E, VAL190E, VAL212E, VAL228E, VAL236D, VAL237D, VAL272D, VAL272E, VAL277E, VAL56D, VAL59D, VAL85E, VAL93E