3MAU

crystal structure of stspl in complex with phosphoethanolamine

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 486
  • Norm. En. per Res.: -4.1162
• Hub Node: A(1)

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	-133.5757	-113.4952	-1753.39	-2000.4609	486	46	65	71646	10	103	87
B-C	-5.3908	29.5085	-89.2156	-65.0979	83	4	0	4264	0	44	42
C-D	-128.2057	-110.2854	-1733.85	-1972.3411	489	50	62	71275	10	103	88

Interface residues

• A-B: ALA100A, ALA100B, ALA103A, ALA103B, ALA113A, ALA113B, ALA120A, ALA120B, ALA137A, ALA137B, ALA141A, ALA141B, ALA145A, ALA145B, ALA148A, ALA148B, ALA200A, ALA200B, ALA202A, ALA202B, ALA203A, ALA203B, ALA207A, ALA207B, ALA208A, ALA208B, ALA311A, ALA311B, ALA316A, ALA316B, ALA337A, ALA337B, ALA338A, ALA338B, ALA351A, ALA351B, ALA357A, ALA357B, ALA360A, ALA360B, ALA362A, ALA362B, ALA364A, ALA364B, ALA365A, ALA365B, ALA409A, ALA409B, ALA439A, ALA439B, ALA485A, ALA485B, ALA486A, ALA486B, ALA488A, ALA488B, ALA68A, ALA68B, ALA73A, ALA73B, ALA78A, ALA78B, ALA82A, ALA82B, ALA85A, ALA85B, ALA86A, ALA86B, ALA89A, ALA89B, ALA90A, ALA90B, ALA94A, ALA94B, ARG180A, ARG180B, ARG217A, ARG217B, ARG287A, ARG287B, ARG354A, ARG354B, ARG430A, ARG430B, ARG436A, ARG436B, ARG447A, ARG447B, ARG494A, ARG494B, ARG61A, ARG61B, ARG63A, ARG63B, ARG69A, ARG69B, ARG72A, ARG72B, ARG77A, ARG77B, ARG96A, ARG96B, ASN116A, ASN116B, ASN126A, ASN126B, ASN432A, ASN432B, ASP108A, ASP108B, ASP131A, ASP131B, ASP154A, ASP154B, ASP181A, ASP181B, ASP205A, ASP205B, ASP274A, ASP274B, ASP308A, ASP308B, ASP328A, ASP328B, ASP339A, ASP339B, ASP502A, ASP502B, ASP62A, ASP62B, CYS161A, CYS161B, GLN122A, GLN122B, GLN124A, GLN124B, GLN209A, GLN209B, GLN333A, GLN333B, GLN495A, GLN495B, GLU109A, GLU109B, GLU117A, GLU117B, GLU140A, GLU140B, GLU142A, GLU142B, GLU170A, GLU170B, GLU371A, GLU371B, GLU372A, GLU372B, GLU491A, GLU491B, GLU506A, GLU506B, GLU79A, GLU79B, GLU83A, GLU83B, GLU91A, GLU91B, GLY102A, GLY102B, GLY107A, GLY107B, GLY162A, GLY162B, GLY167A, GLY167B, GLY168A, GLY168B, GLY212A, GLY212B, GLY248A, GLY248B, GLY313A, GLY313B, GLY315A, GLY315B, GLY318A, GLY318B, GLY342A, GLY342B, GLY343A, GLY343B, GLY352A, GLY352B, GLY356A, GLY356B, GLY370A, GLY370B, GLY373A, GLY373B, GLY428A, GLY428B, GLY433A, GLY433B, GLY483A, GLY483B, GLY499A, GLY499B, GLY74A, GLY74B, GLY88A, GLY88B, HIS106A, HIS106B, HIS110A, HIS110B, HIS111A, HIS111B, HIS129A, HIS129B, HIS149A, HIS149B, HIS201A, HIS201B, HIS251A, HIS251B, HIS310A, HIS310B, HIS331A, HIS331B, HIS435A, HIS435B, HIS441A, HIS441B, HIS508A, HIS67A, HIS67B, ILE112A, ILE112B, ILE213A, ILE213B, ILE322A, ILE336A, ILE336B, ILE501A, ILE501B, ILE57A, ILE57B, ILE80A, ILE80B, ILE84A, ILE84B, LEU115A, LEU115B, LEU121A, LEU121B, LEU128A, LEU128B, LEU132A, LEU132B, LEU172B, LEU173A, LEU173B, LEU174A, LEU174B, LEU215A, LEU215B, LEU220A, LEU220B, LEU330A, LEU330B, LEU344A, LEU344B, LEU358A, LEU358B, LEU367A, LEU367B, LEU369A, LEU369B, LEU375A, LEU375B, LEU401A, LEU401B, LEU431A, LEU431B, LEU434A, LEU434B, LEU492A, LEU492B, LEU497A, LEU497B, LEU503A, LEU503B, LEU504A, LEU504B, LEU70A, LEU70B, LEU75A, LEU75B, LEU81A, LEU81B, LYS138A, LYS138B, LYS177A, LYS177B, LYS206A, LYS206B, LYS317A, LYS317B, LYS58A, LYS58B, MET146A, MET146B, MET150A, MET150B, MET366A, MET366B, MET478A, MET478B, MET484A, MET484B, MET87A, MET87B, PHE114A, PHE114B, PHE139A, PHE139B, PHE204A, PHE204B, PHE211A, PHE211B, PHE280A, PHE280B, PHE335A, PHE335B, PHE346A, PHE346B, PHE350A, PHE350B, PHE500A, PHE500B, PHE64A, PHE64B, PRO127A, PRO127B, PRO130A, PRO130B, PRO134A, PRO134B, PRO197A, PRO197B, PRO250A, PRO250B, PRO283A, PRO283B, PRO327A, PRO327B, PRO341A, PRO341B, PRO348A, PRO348B, PRO355A, PRO355B, PRO437A, PRO437B, PRO438A, PRO438B, PRO489A, PRO489B, PRO490A, PRO490B, PRO59A, PRO59B, PRO65A, PRO65B, PRO71A, PRO71B, PRO76A, PRO76B, PRO93A, PRO93B, SER101A, SER101B, SER123A, SER123B, SER125A, SER125B, SER135A, SER135B, SER166A, SER166B, SER199A, SER199B, SER245B, SER320A, SER320B, SER347A, SER347B, SER353A, SER353B, SER359A, SER359B, SER368A, SER368B, SER66A, SER66B, SER92A, SER92B, THR136A, THR136B, THR147A, THR147B, THR163A, THR163B, THR165A, THR165B, THR169A, THR169B, THR319A, THR319B, THR349A, THR349B, THR361A, THR361B, THR498A, THR498B, TRP133A, TRP133B, TRP284A, TRP284B, TRP340A, TRP340B, TRP363A, TRP363B, TRP429A, TRP429B, TRP95A, TRP95B, TYR105A, TYR105B, TYR119A, TYR119B, TYR210A, TYR210B, TYR224A, TYR224B, TYR249A, TYR249B, TYR332A, TYR332B, TYR334A, TYR334B, TYR345A, TYR345B, TYR374A, TYR374B, TYR418A, TYR418B, TYR482A, TYR482B, TYR505A, TYR505B, TYR60A, TYR60B, TYR99A, TYR99B, VAL104A, VAL104B, VAL118A, VAL118B, VAL143A, VAL143B, VAL144A, VAL144B, VAL164A, VAL164B, VAL198A, VAL198B, VAL321A, VAL321B, VAL481A, VAL481B, VAL493A, VAL493B, VAL496A, VAL496B, VAL507A, VAL507B
• B-C: ALA425B, ALA425C, ALA459B, ALA459C, ALA464C, ALA466C, ALA470C, ALA82C, ALA85B, ALA85C, ALA86B, ALA86C, ALA89B, ALA89C, ALA90B, ALA90C, ALA94B, ALA94C, ARG387C, ARG427B, ARG427C, ARG430C, ARG447B, ARG456B, ARG456C, ARG61B, ARG61C, ARG63B, ARG63C, ARG96B, ASP455C, ASP460B, ASP460C, ASP463C, ASP62B, ASP62C, ASP97B, ASP97C, GLN462C, GLN467C, GLU109B, GLU423B, GLU450B, GLU450C, GLU79B, GLU83B, GLU91B, GLU91C, GLY426B, GLY426C, GLY428B, GLY428C, GLY452B, GLY452C, GLY88B, GLY88C, HIS110B, HIS471C, LEU458C, LEU75B, MET424B, MET87C, PHE457C, PHE64B, PHE64C, PRO451B, PRO451C, PRO59B, PRO65B, PRO76B, PRO93B, PRO93C, SER66B, SER92B, SER92C, TRP429B, TRP429C, TYR60B, TYR60C, TYR99B, TYR99C, VAL453B, VAL453C
• C-D: ALA100C, ALA100D, ALA103C, ALA103D, ALA113C, ALA113D, ALA120C, ALA120D, ALA137C, ALA137D, ALA141C, ALA141D, ALA145C, ALA145D, ALA148C, ALA148D, ALA200C, ALA200D, ALA202C, ALA202D, ALA203C, ALA203D, ALA207C, ALA207D, ALA208C, ALA208D, ALA311C, ALA311D, ALA316C, ALA316D, ALA337C, ALA337D, ALA338C, ALA338D, ALA351C, ALA351D, ALA357C, ALA357D, ALA360C, ALA360D, ALA362C, ALA362D, ALA364C, ALA364D, ALA365C, ALA365D, ALA409C, ALA439C, ALA439D, ALA485C, ALA485D, ALA486C, ALA486D, ALA488C, ALA488D, ALA68C, ALA68D, ALA73C, ALA73D, ALA78C, ALA78D, ALA82C, ALA82D, ALA85C, ALA85D, ALA86C, ALA86D, ALA89C, ALA89D, ALA90C, ALA90D, ALA94C, ALA94D, ARG180C, ARG180D, ARG217C, ARG217D, ARG287C, ARG287D, ARG354C, ARG354D, ARG430C, ARG430D, ARG436C, ARG436D, ARG447C, ARG447D, ARG494C, ARG494D, ARG61C, ARG61D, ARG63C, ARG63D, ARG69C, ARG69D, ARG72C, ARG72D, ARG77C, ARG77D, ARG96C, ARG96D, ASN116C, ASN116D, ASN126C, ASN126D, ASN432C, ASN432D, ASP108C, ASP108D, ASP131C, ASP131D, ASP154C, ASP154D, ASP181C, ASP181D, ASP205C, ASP205D, ASP274C, ASP274D, ASP308C, ASP308D, ASP328C, ASP328D, ASP339C, ASP339D, ASP502C, ASP502D, ASP62C, ASP62D, CYS161C, CYS161D, GLN122C, GLN122D, GLN124C, GLN124D, GLN209C, GLN209D, GLN333C, GLN333D, GLN495C, GLN495D, GLU109C, GLU109D, GLU117C, GLU117D, GLU140C, GLU140D, GLU142C, GLU142D, GLU170C, GLU170D, GLU371C, GLU371D, GLU372C, GLU372D, GLU491C, GLU491D, GLU506C, GLU506D, GLU79C, GLU79D, GLU83C, GLU83D, GLU91C, GLU91D, GLY102C, GLY102D, GLY107C, GLY107D, GLY162C, GLY162D, GLY167C, GLY167D, GLY168C, GLY168D, GLY212C, GLY212D, GLY248C, GLY248D, GLY313C, GLY313D, GLY315C, GLY315D, GLY318C, GLY318D, GLY342C, GLY342D, GLY343C, GLY343D, GLY352C, GLY352D, GLY356C, GLY356D, GLY370C, GLY370D, GLY373C, GLY373D, GLY428C, GLY428D, GLY433C, GLY433D, GLY483C, GLY483D, GLY499C, GLY499D, GLY74C, GLY74D, GLY88C, GLY88D, HIS106C, HIS106D, HIS110C, HIS110D, HIS111C, HIS111D, HIS129C, HIS129D, HIS149C, HIS149D, HIS201C, HIS201D, HIS251C, HIS251D, HIS310C, HIS310D, HIS331C, HIS331D, HIS435C, HIS435D, HIS441C, HIS441D, HIS508C, HIS508D, HIS67C, HIS67D, ILE112C, ILE112D, ILE213C, ILE213D, ILE322D, ILE336C, ILE336D, ILE501C, ILE501D, ILE57C, ILE57D, ILE80C, ILE80D, ILE84C, ILE84D, LEU115C, LEU115D, LEU121C, LEU121D, LEU128C, LEU128D, LEU132C, LEU132D, LEU172C, LEU173C, LEU173D, LEU174C, LEU174D, LEU215C, LEU215D, LEU220C, LEU220D, LEU330C, LEU330D, LEU344C, LEU344D, LEU358C, LEU358D, LEU367C, LEU367D, LEU369C, LEU369D, LEU375C, LEU375D, LEU401C, LEU401D, LEU431C, LEU431D, LEU434C, LEU434D, LEU492C, LEU492D, LEU497C, LEU497D, LEU503C, LEU503D, LEU504C, LEU504D, LEU70C, LEU70D, LEU75C, LEU75D, LEU81C, LEU81D, LYS138C, LYS138D, LYS177C, LYS177D, LYS206C, LYS206D, LYS317C, LYS317D, LYS58C, LYS58D, MET146C, MET146D, MET150C, MET150D, MET366C, MET366D, MET478C, MET478D, MET484C, MET484D, MET87C, MET87D, PHE114C, PHE114D, PHE139C, PHE139D, PHE204C, PHE204D, PHE211C, PHE211D, PHE280C, PHE280D, PHE335C, PHE335D, PHE346C, PHE346D, PHE350C, PHE350D, PHE500C, PHE500D, PHE64C, PHE64D, PRO127C, PRO127D, PRO130C, PRO130D, PRO134C, PRO134D, PRO197C, PRO197D, PRO219C, PRO250C, PRO250D, PRO283C, PRO283D, PRO327C, PRO327D, PRO341C, PRO341D, PRO348C, PRO348D, PRO355C, PRO355D, PRO437C, PRO437D, PRO438C, PRO438D, PRO489C, PRO489D, PRO490C, PRO490D, PRO59C, PRO59D, PRO65C, PRO65D, PRO71C, PRO71D, PRO76C, PRO76D, PRO93C, PRO93D, SER101C, SER101D, SER123C, SER123D, SER125C, SER125D, SER135C, SER135D, SER166C, SER166D, SER199C, SER199D, SER245C, SER320C, SER320D, SER347C, SER347D, SER353C, SER353D, SER359C, SER359D, SER368C, SER368D, SER66C, SER66D, SER92C, SER92D, THR136C, THR136D, THR147C, THR147D, THR163C, THR163D, THR165C, THR165D, THR169C, THR169D, THR218C, THR319C, THR319D, THR349C, THR349D, THR361C, THR361D, THR498C, THR498D, TRP133C, TRP133D, TRP284C, TRP284D, TRP340C, TRP340D, TRP363C, TRP363D, TRP429C, TRP429D, TRP95C, TRP95D, TYR105C, TYR105D, TYR119C, TYR119D, TYR210C, TYR210D, TYR224C, TYR224D, TYR249C, TYR249D, TYR332C, TYR332D, TYR334C, TYR334D, TYR345C, TYR345D, TYR374C, TYR374D, TYR418C, TYR418D, TYR482C, TYR482D, TYR505C, TYR505D, TYR60C, TYR60D, TYR99C, TYR99D, VAL104C, VAL104D, VAL118C, VAL118D, VAL143C, VAL143D, VAL144C, VAL144D, VAL164C, VAL164D, VAL196C, VAL198C, VAL198D, VAL321C, VAL321D, VAL481C, VAL481D, VAL493C, VAL493D, VAL496C, VAL496D, VAL507C, VAL507D