1ODI

purine nucleoside phosphorylase from thermus thermophilus

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: A-F
  • Int. Res.: 131
  • Norm. En. per Res.: -3.3922
• Hub Node: A(4)

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	-41.883	31.4273	-403.342	-413.7977	161	22	12	16968	0	49	42
A-C	0.0	0.0	-0.0278	-0.0278	3	0	0	17	0	1	2
A-E	0.0	0.0	-0.0373	-0.0373	3	0	0	20	0	1	2
A-F	-53.5816	18.1506	-408.942	-444.3729	131	8	16	15493	7	29	29
B-C	-42.6451	15.9739	-412.597	-439.2682	135	7	16	15771	8	30	31
B-D	0.0	0.0	-0.0914	-0.0914	4	0	0	31	0	1	2
B-F	0.0	0.0	-0.0815	-0.0815	4	0	0	30	0	1	2
C-D	-44.1037	26.0553	-394.521	-412.5694	164	21	12	16537	2	48	40
C-E	0.0	0.0	-0.0709	-0.0709	3	0	0	25	0	1	2
D-E	-36.3351	27.5493	-421.021	-429.8068	136	24	16	16224	8	28	31
D-F	0.0	0.0	-0.1038	-0.1038	4	0	0	32	0	1	2
E-F	-36.2285	30.6772	-391.507	-397.0583	161	15	12	16172	0	49	45

Interface residues

• A-B: ALA158A, ALA158B, ALA161A, ALA161B, ALA184A, ALA184B, ALA212A, ALA212B, ALA70A, ALA70B, ALA71A, ALA71B, ALA91A, ALA91B, ARG117A, ARG117B, ARG192A, ARG192B, ARG205A, ARG205B, ARG25A, ARG25B, ARG39A, ARG39B, ARG44A, ARG44B, ARG79A, ARG79B, ARG7A, ARG7B, ARG87A, ARG87B, ASN204A, ASN204B, ASP113A, ASP113B, ASP157A, ASP157B, ASP208A, ASP208B, ASP22A, ASP22B, ASP42A, ASP42B, GLN118A, GLN118B, GLU121A, GLU121B, GLU156A, GLU156B, GLU166A, GLU166B, GLU181A, GLU181B, GLU210A, GLU210B, GLU75A, GLU75B, GLU76A, GLU76B, GLY114A, GLY114B, GLY122A, GLY207A, GLY207B, GLY21A, GLY21B, GLY24A, GLY24B, GLY45A, GLY45B, GLY64A, GLY64B, GLY66A, GLY66B, GLY89A, GLY89B, HIS43A, HIS43B, HIS5A, HIS5B, ILE206A, ILE206B, ILE4A, ILE4B, ILE72A, ILE72B, LEU112A, LEU112B, LEU120A, LEU120B, LEU187A, LEU187B, LEU188A, LEU188B, LEU211A, LEU211B, LEU217A, LEU217B, LEU46A, LEU46B, LEU77B, MET180A, MET180B, MET191A, MET191B, MET65A, MET65B, PHE159A, PHE159B, PHE178A, PHE178B, PRO209A, PRO209B, PRO20A, PRO20B, PRO214A, PRO214B, PRO23A, PRO23B, PRO3A, PRO3B, PRO68A, PRO68B, SER155A, SER155B, SER203A, SER203B, SER2A, SER2B, SER69A, SER69B, THR115A, THR115B, THR116A, THR116B, THR162A, THR162B, THR163A, THR163B, THR62A, THR62B, THR63A, THR63B, THR67A, THR67B, THR90A, THR90B, TRP170B, TRP47A, TRP47B, TYR119A, TYR119B, TYR160A, TYR160B, VAL6A, VAL6B, VAL73A, VAL73B, VAL74A, VAL74B
• A-C: ARG117A, GLY122C, PRO124C
• A-E: ARG117E, GLY122A, PRO124A
• A-F: ALA106A, ALA106F, ALA109A, ALA109F, ALA126A, ALA126F, ALA136A, ALA136F, ALA141A, ALA141F, ALA143A, ALA143F, ALA154A, ALA154F, ALA169A, ALA169F, ALA171A, ALA171F, ARG117A, ARG117F, ARG123A, ARG123F, ARG135A, ARG135F, ARG139A, ARG139F, ARG140A, ARG140F, ARG149A, ARG149F, ARG172A, ARG172F, ARG190A, ARG190F, ARG192A, ARG192F, ARG195A, ARG195F, ASP113A, ASP113F, ASP130A, ASP130F, GLN107A, GLN107F, GLN118A, GLN118F, GLU121A, GLU121F, GLU132A, GLU132F, GLU142A, GLU142F, GLU166A, GLU166F, GLY108A, GLY108F, GLY122A, GLY122F, GLY151A, GLY151F, GLY174A, GLY174F, GLY189A, GLY189F, GLY193A, GLY193F, GLY197A, GLY197F, HIS148A, HIS148F, LEU112A, LEU112F, LEU120A, LEU120F, LEU137F, LEU152A, LEU152F, LEU176A, LEU176F, LEU187A, LEU187F, LEU188A, LEU188F, MET191A, MET191F, PHE134A, PHE134F, PHE186A, PHE186F, PRO111A, PRO111F, PRO124A, PRO124F, PRO127A, PRO127F, PRO129A, PRO129F, PRO131A, PRO131F, SER155A, SER155F, SER183A, SER183F, THR116A, THR116F, THR196A, THR196F, TRP138A, TRP138F, TRP170A, TRP170F, TYR119A, TYR119F, TYR125A, TYR125F, TYR173A, TYR173F, VAL105A, VAL105F, VAL110A, VAL110F, VAL128A, VAL128F, VAL133A, VAL133F, VAL150A, VAL150F, VAL153A, VAL153F, VAL175A, VAL175F
• B-C: ALA106B, ALA106C, ALA109B, ALA109C, ALA126B, ALA126C, ALA136B, ALA136C, ALA141B, ALA141C, ALA143B, ALA143C, ALA154B, ALA154C, ALA169B, ALA169C, ALA171B, ALA171C, ARG117B, ARG117C, ARG123B, ARG123C, ARG135B, ARG135C, ARG139B, ARG139C, ARG140B, ARG140C, ARG149B, ARG149C, ARG168B, ARG172B, ARG172C, ARG190B, ARG190C, ARG192B, ARG192C, ARG195B, ARG195C, ASP113B, ASP113C, ASP130B, ASP130C, GLN107B, GLN107C, GLN118B, GLN118C, GLU121B, GLU121C, GLU132B, GLU132C, GLU142B, GLU142C, GLU165B, GLU165C, GLU166B, GLU166C, GLY108B, GLY108C, GLY122B, GLY122C, GLY151B, GLY151C, GLY174B, GLY174C, GLY189B, GLY189C, GLY193B, GLY193C, GLY197B, GLY197C, HIS148B, HIS148C, LEU112B, LEU112C, LEU120B, LEU120C, LEU137B, LEU137C, LEU152B, LEU152C, LEU176B, LEU176C, LEU187B, LEU187C, LEU188B, LEU188C, MET191B, MET191C, PHE134B, PHE134C, PHE186B, PHE186C, PRO111B, PRO111C, PRO124B, PRO124C, PRO127B, PRO127C, PRO129B, PRO129C, PRO131B, PRO131C, SER155B, SER155C, SER183B, SER183C, THR116B, THR116C, THR196B, THR196C, TRP138B, TRP138C, TRP170B, TRP170C, TYR119B, TYR119C, TYR125B, TYR125C, TYR173B, TYR173C, VAL105B, VAL105C, VAL110B, VAL110C, VAL128B, VAL128C, VAL133B, VAL133C, VAL150B, VAL150C, VAL153B, VAL153C, VAL175B, VAL175C
• B-D: ARG117D, ARG123B, GLY122B, PRO124B
• B-F: ARG117B, ARG123F, GLY122F, PRO124F
• C-D: ALA158C, ALA158D, ALA161C, ALA161D, ALA184C, ALA184D, ALA212C, ALA212D, ALA26C, ALA26D, ALA70C, ALA70D, ALA71C, ALA71D, ALA91D, ARG117C, ARG117D, ARG192C, ARG192D, ARG25C, ARG25D, ARG39C, ARG39D, ARG44C, ARG44D, ARG79C, ARG79D, ARG7C, ARG7D, ARG87C, ARG87D, ASN204C, ASN204D, ASP113C, ASP113D, ASP157C, ASP157D, ASP208C, ASP208D, ASP22C, ASP22D, ASP42C, ASP42D, GLN118C, GLN118D, GLU121C, GLU121D, GLU156C, GLU156D, GLU166C, GLU166D, GLU181C, GLU181D, GLU210C, GLU210D, GLU75C, GLU75D, GLU76C, GLU76D, GLY114C, GLY114D, GLY122C, GLY122D, GLY207C, GLY207D, GLY21C, GLY21D, GLY24C, GLY24D, GLY45C, GLY45D, GLY64C, GLY64D, GLY66C, GLY66D, GLY89C, GLY89D, HIS43C, HIS43D, HIS5C, HIS5D, HIS9D, ILE206C, ILE4C, ILE4D, ILE72C, ILE72D, LEU112C, LEU112D, LEU120C, LEU120D, LEU187C, LEU187D, LEU188C, LEU188D, LEU211C, LEU211D, LEU217C, LEU217D, LEU46C, LEU46D, LEU77C, LEU77D, MET180C, MET180D, MET191C, MET191D, MET65C, MET65D, PHE159C, PHE159D, PHE178C, PHE178D, PRO111C, PRO209C, PRO209D, PRO20C, PRO20D, PRO214C, PRO214D, PRO23C, PRO23D, PRO3C, PRO3D, PRO68C, PRO68D, SER155C, SER155D, SER203C, SER203D, SER2C, SER2D, SER69C, SER69D, THR115C, THR115D, THR116C, THR116D, THR162C, THR162D, THR163C, THR163D, THR62C, THR62D, THR63C, THR63D, THR67C, THR67D, THR90C, THR90D, TRP170C, TRP170D, TRP47C, TRP47D, TYR119C, TYR119D, TYR160C, TYR160D, VAL6C, VAL6D, VAL73C, VAL73D, VAL74C, VAL74D
• C-E: ARG117C, GLY122E, PRO124E
• D-E: ALA106D, ALA106E, ALA109D, ALA109E, ALA126D, ALA126E, ALA136D, ALA136E, ALA141D, ALA141E, ALA143D, ALA143E, ALA154D, ALA154E, ALA167D, ALA169D, ALA169E, ALA171D, ALA171E, ARG117D, ARG117E, ARG123D, ARG123E, ARG135D, ARG135E, ARG139D, ARG139E, ARG140D, ARG140E, ARG149D, ARG149E, ARG168D, ARG168E, ARG172D, ARG172E, ARG190D, ARG190E, ARG192D, ARG192E, ARG195D, ARG195E, ASP113D, ASP113E, ASP130D, ASP130E, GLN107D, GLN107E, GLN118D, GLN118E, GLU121D, GLU121E, GLU132D, GLU132E, GLU142D, GLU142E, GLU165D, GLU165E, GLU166D, GLU166E, GLY108D, GLY108E, GLY122D, GLY122E, GLY151D, GLY151E, GLY174D, GLY174E, GLY189D, GLY193D, GLY193E, GLY197D, GLY197E, HIS148D, HIS148E, LEU112D, LEU112E, LEU120D, LEU120E, LEU137D, LEU137E, LEU152D, LEU152E, LEU176D, LEU176E, LEU187D, LEU187E, LEU188D, LEU188E, MET191D, MET191E, PHE134D, PHE134E, PHE186D, PHE186E, PRO111D, PRO111E, PRO124D, PRO124E, PRO127D, PRO127E, PRO129D, PRO129E, PRO131D, PRO131E, SER155D, SER155E, SER183D, SER183E, THR116D, THR116E, THR196D, THR196E, TRP138D, TRP138E, TRP170D, TRP170E, TYR119D, TYR119E, TYR125D, TYR125E, TYR173D, TYR173E, VAL105D, VAL105E, VAL110D, VAL110E, VAL128D, VAL128E, VAL133D, VAL133E, VAL150D, VAL150E, VAL153D, VAL153E, VAL175D, VAL175E
• D-F: ARG117F, ARG123D, GLY122D, PRO124D
• E-F: ALA158E, ALA158F, ALA161E, ALA161F, ALA184E, ALA184F, ALA212E, ALA212F, ALA26E, ALA70E, ALA70F, ALA71E, ALA71F, ARG117E, ARG117F, ARG192E, ARG192F, ARG205E, ARG205F, ARG25E, ARG25F, ARG39E, ARG39F, ARG44E, ARG44F, ARG79E, ARG79F, ARG7E, ARG7F, ARG87E, ARG87F, ASN204E, ASN204F, ASP113E, ASP113F, ASP157E, ASP157F, ASP208E, ASP208F, ASP22E, ASP22F, ASP42E, ASP42F, GLN118E, GLN118F, GLU121E, GLU121F, GLU156E, GLU156F, GLU166E, GLU166F, GLU181E, GLU181F, GLU210E, GLU210F, GLU75E, GLU75F, GLU76E, GLU76F, GLY114E, GLY114F, GLY122E, GLY122F, GLY207E, GLY207F, GLY21E, GLY21F, GLY24E, GLY24F, GLY45E, GLY45F, GLY64E, GLY64F, GLY66E, GLY66F, GLY89E, GLY89F, HIS43E, HIS43F, HIS5E, HIS5F, ILE4E, ILE4F, ILE72E, ILE72F, LEU112E, LEU112F, LEU120E, LEU120F, LEU187E, LEU187F, LEU188E, LEU188F, LEU211E, LEU211F, LEU217E, LEU217F, LEU46E, LEU46F, LEU77E, LEU77F, MET180E, MET180F, MET191E, MET191F, MET65E, MET65F, PHE159E, PHE159F, PHE178E, PHE178F, PRO111E, PRO209E, PRO209F, PRO20E, PRO20F, PRO214E, PRO214F, PRO23E, PRO23F, PRO3E, PRO3F, PRO68E, PRO68F, SER155E, SER155F, SER203E, SER203F, SER2E, SER2F, SER69E, SER69F, THR115E, THR115F, THR116E, THR116F, THR162E, THR162F, THR163E, THR163F, THR62E, THR62F, THR63E, THR63F, THR67E, THR67F, THR90E, THR90F, TRP170E, TRP47E, TRP47F, TYR119E, TYR119F, TYR160E, TYR160F, VAL6E, VAL6F, VAL73E, VAL73F, VAL74E, VAL74F