3RHF

crystal structure of polyphosphate kinase 2 from arthrobacter aurescens tc1

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 160
  • Norm. En. per Res.: -4.2401
• Hub Node: A(3)

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	-21.4726	42.5154	-147.479	-126.4362	76	5	0	5975	1	40	50
A-C	-72.8288	-131.0284	-448.848	-652.7052	161	13	13	18818	10	91	66
A-D	0.0	0.0	-0.2481	-0.2481	8	0	0	64	0	8	10
B-C	0.0	0.0	-0.184	-0.184	6	0	0	53	0	7	10
B-D	-102.0688	-128.3008	-448.049	-678.4186	160	17	14	18928	10	90	68
C-D	-19.9895	33.0522	-147.897	-134.8343	76	4	0	5973	1	41	50

Interface residues

• A-B: ALA128A, ALA128B, ALA129A, ALA129B, ALA162A, ALA162B, ALA163A, ALA163B, ARG121A, ARG121B, ARG159A, ARG159B, ARG170A, ARG170B, ARG72A, ARG72B, ASN69A, ASN69B, ASP111A, ASP111B, ASP117A, ASP117B, ASP166A, ASP166B, GLN102A, GLN102B, GLN125A, GLN125B, GLN174A, GLN174B, GLU112A, GLU112B, GLU113A, GLU113B, GLU123A, GLU123B, GLU156A, GLU173A, GLU173B, GLY130A, GLY130B, GLY175A, GLY175B, GLY65A, GLY65B, GLY68A, GLY68B, HIS116A, HIS116B, ILE122A, ILE122B, LEU119A, LEU119B, LEU171A, LEU171B, LYS114A, LYS114B, LYS124A, LYS124B, LYS66A, LYS66B, PHE118A, PHE118B, PHE167A, PHE167B, PRO127A, PRO127B, PRO70A, PRO70B, SER115A, SER115B, THR176A, TRP120A, TRP120B, VAL126A, VAL126B
• A-C: ALA105A, ALA105C, ALA196A, ALA196C, ALA213A, ALA213C, ALA216A, ALA216C, ALA272A, ALA272C, ALA277A, ALA277C, ALA278A, ALA278C, ALA281A, ALA281C, ALA55A, ALA63A, ALA63C, ALA95A, ALA95C, ARG137A, ARG137C, ARG193A, ARG193C, ARG197A, ARG197C, ARG209A, ARG209C, ARG215A, ARG215C, ARG280A, ARG280C, ASP136A, ASP136C, ASP188A, ASP199A, ASP199C, ASP200A, ASP200C, ASP211A, ASP211C, ASP268A, ASP268C, ASP273A, ASP273C, ASP275A, ASP275C, ASP97A, ASP97C, GLN190A, GLN190C, GLN58A, GLN58C, GLN99A, GLN99C, GLU279A, GLU279C, GLU285A, GLU285C, GLU56A, GLU56C, GLU59A, GLU59C, GLU64A, GLU64C, GLY100A, GLY100C, GLY210A, GLY210C, GLY86A, GLY86C, GLY87A, GLY87C, GLY94A, GLY94C, HIS204A, HIS204C, HIS91A, HIS91C, ILE195A, ILE195C, ILE88C, LEU103A, LEU103C, LEU194A, LEU194C, LEU198A, LEU198C, LEU212A, LEU212C, LEU282A, LEU282C, LEU77A, LEU77C, LYS107C, LYS187A, LYS187C, LYS191A, LYS191C, LYS192A, LYS192C, LYS203A, LYS203C, LYS206A, LYS206C, LYS271A, LYS271C, LYS60A, LYS60C, LYS66A, LYS66C, LYS85A, LYS85C, PHE106A, PHE106C, PHE135C, PHE274A, PHE274C, PHE62A, PHE62C, PHE67A, PHE67C, PRO201A, PRO201C, PRO270A, PRO270C, PRO98A, PRO98C, SER202A, SER202C, SER208A, SER208C, SER286A, SER286C, SER90A, SER90C, THR104A, THR104C, TRP205A, TRP205C, TRP269A, TRP269C, TYR207A, TYR207C, VAL101A, VAL101C, VAL134A, VAL134C, VAL276A, VAL276C, VAL283A, VAL283C, VAL284A, VAL284C, VAL89A, VAL89C, VAL92A, VAL92C, VAL93A, VAL93C
• A-D: ALA108D, ASP111A, ASP111D, GLU112A, GLU112D, LYS107A, THR110A, THR110D
• B-C: ASP111B, ASP111C, GLU112B, GLU112C, THR110B, THR110C
• B-D: ALA105B, ALA105D, ALA196B, ALA196D, ALA213B, ALA213D, ALA216B, ALA216D, ALA272B, ALA272D, ALA277B, ALA277D, ALA278B, ALA278D, ALA281B, ALA281D, ALA63B, ALA63D, ALA95B, ALA95D, ARG137B, ARG137D, ARG193B, ARG193D, ARG197B, ARG197D, ARG209B, ARG209D, ARG215B, ARG215D, ARG280B, ARG280D, ASP136B, ASP136D, ASP188B, ASP199B, ASP199D, ASP200B, ASP200D, ASP211B, ASP211D, ASP268B, ASP268D, ASP273B, ASP273D, ASP275B, ASP275D, ASP97B, ASP97D, GLN190B, GLN190D, GLN58B, GLN58D, GLN99B, GLN99D, GLU279B, GLU279D, GLU285B, GLU285D, GLU56B, GLU56D, GLU59B, GLU59D, GLU64B, GLU64D, GLY100B, GLY100D, GLY210B, GLY210D, GLY86B, GLY86D, GLY87B, GLY87D, GLY94B, GLY94D, HIS204B, HIS204D, HIS91B, HIS91D, ILE195B, ILE195D, ILE88B, ILE88D, LEU103B, LEU103D, LEU194B, LEU194D, LEU198B, LEU198D, LEU212B, LEU212D, LEU282B, LEU282D, LYS107B, LYS107D, LYS187B, LYS187D, LYS191B, LYS191D, LYS192B, LYS192D, LYS203B, LYS203D, LYS206B, LYS206D, LYS271B, LYS271D, LYS60B, LYS60D, LYS66B, LYS66D, LYS85B, LYS85D, PHE106B, PHE106D, PHE135D, PHE274B, PHE274D, PHE62B, PHE62D, PHE67B, PHE67D, PRO201B, PRO201D, PRO270B, PRO270D, PRO98B, PRO98D, SER202B, SER202D, SER208B, SER208D, SER286B, SER286D, SER90B, SER90D, THR104B, THR104D, TRP205B, TRP205D, TRP269B, TRP269D, TYR207B, TYR207D, VAL101B, VAL101D, VAL134B, VAL134D, VAL276B, VAL276D, VAL283B, VAL283D, VAL284B, VAL284D, VAL89B, VAL89D, VAL92B, VAL92D, VAL93B, VAL93D
• C-D: ALA128C, ALA128D, ALA129C, ALA129D, ALA162C, ALA162D, ALA163C, ALA163D, ARG121C, ARG121D, ARG159C, ARG159D, ARG160D, ARG170C, ARG170D, ARG72C, ARG72D, ASN69C, ASN69D, ASP111C, ASP111D, ASP117C, ASP117D, ASP166C, ASP166D, GLN102C, GLN102D, GLN125C, GLN125D, GLN174C, GLN174D, GLU112C, GLU112D, GLU113C, GLU113D, GLU123C, GLU123D, GLU156D, GLU173C, GLU173D, GLY130C, GLY130D, GLY175C, GLY175D, GLY65C, GLY65D, GLY68C, GLY68D, HIS116C, HIS116D, ILE122C, ILE122D, LEU119C, LEU119D, LEU171C, LEU171D, LYS114C, LYS114D, LYS124C, LYS124D, LYS66C, PHE118C, PHE118D, PHE167C, PHE167D, PRO127C, PRO127D, PRO70C, PRO70D, SER115C, SER115D, THR176D, TRP120C, TRP120D, VAL126C, VAL126D