1ULS

crystal structure of tt0140 from thermus thermophilus hb8

• Total interactions analyzed: 28
• Total true interactions: 15
• Strongest Interaction:
  • Chains: F-G
  • Int. Res.: 146
  • Norm. En. per Res.: -3.9781
• 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	-54.2578	4.611	-452.151	-501.7978	147	11	13	17442	7	21	25
A-C	-11.3507	0.0	-59.4979	-70.8486	34	1	7	2331	0	0	1
A-D	-59.7391	-28.0392	-465.502	-553.2804	148	18	19	19296	2	23	26
B-C	-63.707	-28.3053	-471.308	-563.3203	150	22	18	19242	2	24	26
B-D	-19.7777	0.0	-72.9099	-92.6876	42	3	7	3040	0	0	0
C-D	-66.8433	4.6878	-470.372	-532.5275	158	17	14	18468	8	21	24
D-E	-8.6047	-16.4148	-42.7009	-67.7204	36	5	0	2277	2	25	24
D-G	0.0	7.0645	-5.0589	2.0056	21	0	0	297	1	15	12
D-H	-7.0462	-61.0861	-91.2131	-159.3455	75	2	0	4789	5	38	47
E-F	-44.7098	31.6569	-458.814	-471.867	148	10	14	17573	8	23	25
E-G	-17.7629	0.0	-77.5115	-95.2744	42	2	8	3089	0	0	0
E-H	-75.6049	-30.9009	-465.275	-571.7807	150	24	19	19193	2	24	26
F-G	-60.3426	-29.2918	-491.164	-580.7983	146	20	19	19473	2	24	26
F-H	-9.9301	0.0	-59.6352	-69.5653	33	1	6	2399	0	0	1
G-H	-52.4245	30.4129	-469.371	-491.3826	159	17	15	18369	7	21	25

Interface residues

• A-B: ALA163A, ALA163B, ALA177A, ALA177B, ALA197A, ALA197B, ALA200A, ALA200B, ALA206A, ALA206B, ALA213A, ALA213B, ALA215A, ALA215B, ALA216A, ALA216B, ALA242A, ALA242B, ARG137A, ARG137B, ARG160A, ARG160B, ARG168A, ARG168B, ARG172A, ARG172B, ARG205A, ARG205B, ARG238A, ARG238B, ARG2A, ARG2B, ASN174A, ASN174B, ASP222A, ASP222B, ASP235A, ASP235B, GLN230A, GLN230B, GLU165A, GLU165B, GLU182A, GLU182B, GLU211A, GLU211B, GLU223A, GLU223B, GLU28A, GLU28B, GLY129A, GLY129B, GLY157A, GLY157B, GLY167A, GLY167B, GLY170A, GLY170B, GLY179A, GLY179B, GLY204A, GLY204B, GLY207A, GLY207B, GLY229A, GLY229B, GLY236A, GLY236B, GLY237A, GLY237B, GLY241A, GLY241B, ILE171A, ILE171B, ILE181A, ILE181B, ILE198A, ILE198B, ILE227A, ILE227B, ILE240A, ILE240B, LEU162A, LEU162B, LEU164A, LEU164B, LEU166A, LEU166B, LEU176A, LEU176B, LEU203A, LEU203B, LEU210A, LEU210B, LEU217A, LEU217B, LEU219A, LEU219B, LEU232A, LEU232B, LEU24A, LEU24B, LYS208A, LYS208B, PHE180A, PHE180B, PHE218A, PHE218B, PHE226A, PHE226B, PHE233A, PHE233B, PRO128A, PRO178A, PRO178B, PRO202A, PRO202B, SER221A, SER221B, SER224A, SER224B, SER225A, SER225B, THR159A, THR159B, THR161A, THR161B, THR201A, THR201B, THR228A, THR228B, THR239A, THR239B, TRP169A, TRP169B, TYR214A, TYR214B, VAL156A, VAL156B, VAL173A, VAL173B, VAL212A, VAL212B, VAL231A, VAL231B, VAL234A, VAL234B
• A-C: ALA199A, ALA200C, ALA242A, ALA242C, ALA243C, ARG137A, ARG137C, ARG160A, ARG238A, ARG238C, ASN142A, ASN142C, ASP235A, GLY141A, GLY141C, GLY237C, GLY241A, GLY241C, ILE240A, ILE240C, LEU140A, LEU140C, LEU143A, LEU143C, LYS196C, PHE233A, PRO202A, PRO202C, PRO244C, THR239A, THR239C, TYR139A, VAL138A, VAL231A
• A-D: ALA116A, ALA116D, ALA118A, ALA118D, ALA119A, ALA119D, ALA146A, ALA146D, ALA149A, ALA149D, ALA150A, ALA150D, ALA153A, ALA153D, ALA163A, ALA163D, ALA242A, ALA242D, ALA243D, ALA245D, ALA59A, ALA59D, ALA62A, ALA62D, ARG106A, ARG106D, ARG124A, ARG124D, ARG137A, ARG137D, ARG160A, ARG160D, ARG168A, ARG168D, ASN108A, ASN108D, ASN142A, ASN142D, ASN147A, ASN147D, ASN91A, ASN91D, ASP100A, ASP100D, ASP60A, ASP60D, GLN145A, GLN145D, GLN230A, GLU102A, GLU102D, GLU121A, GLU121D, GLU125A, GLU125D, GLU165A, GLU165D, GLU65A, GLU99A, GLU99D, GLY111A, GLY111D, GLY141A, GLY141D, GLY144A, GLY144D, GLY154A, GLY154D, GLY157A, GLY157D, GLY167A, GLY167D, GLY229A, HIS93A, HIS93D, ILE131A, ILE131D, ILE171A, ILE171D, LEU105A, LEU105D, LEU109A, LEU109D, LEU114A, LEU114D, LEU140A, LEU140D, LEU143A, LEU143D, LEU158A, LEU158D, LEU162A, LEU162D, LEU164A, LEU164D, LEU166A, LEU166D, LEU98A, LEU98D, LYS117A, LYS117D, LYS95A, LYS95D, PHE113A, PHE113D, PHE233A, PHE233D, PHE92A, PHE92D, PRO244D, PRO61A, PRO61D, PRO97A, PRO97D, SER112A, SER112D, SER120A, SER120D, SER151A, SER151D, THR110A, THR110D, THR159A, THR159D, THR161A, THR161D, THR239D, TRP101A, TRP101D, TRP169A, TRP169D, TRP94A, TRP94D, TYR139A, TYR139D, TYR148A, TYR148D, VAL104A, VAL138A, VAL138D, VAL155A, VAL155D, VAL156A, VAL156D, VAL173A, VAL173D, VAL231A, VAL64A
• B-C: ALA116B, ALA116C, ALA118B, ALA118C, ALA119B, ALA119C, ALA146B, ALA146C, ALA149B, ALA149C, ALA150B, ALA150C, ALA153B, ALA153C, ALA163B, ALA163C, ALA242B, ALA242C, ALA243B, ALA243C, ALA245B, ALA245C, ALA59B, ALA59C, ALA62B, ALA62C, ARG106B, ARG106C, ARG124B, ARG124C, ARG137B, ARG137C, ARG160B, ARG160C, ARG168B, ARG168C, ARG238B, ASN108B, ASN108C, ASN142B, ASN142C, ASN147B, ASN147C, ASN91B, ASN91C, ASP100B, ASP100C, ASP60B, ASP60C, GLN145B, GLN145C, GLN230B, GLU102B, GLU102C, GLU121B, GLU121C, GLU125B, GLU125C, GLU165B, GLU165C, GLU99B, GLU99C, GLY111B, GLY111C, GLY141B, GLY141C, GLY144B, GLY144C, GLY154B, GLY154C, GLY157B, GLY157C, GLY167B, GLY167C, GLY229B, HIS93B, HIS93C, ILE131B, ILE131C, ILE171B, ILE171C, LEU105B, LEU105C, LEU109B, LEU109C, LEU114B, LEU114C, LEU140B, LEU140C, LEU143B, LEU143C, LEU158B, LEU158C, LEU162B, LEU162C, LEU164B, LEU164C, LEU166B, LEU166C, LEU98B, LEU98C, LYS117B, LYS117C, LYS95B, LYS95C, PHE113B, PHE113C, PHE233B, PHE233C, PHE92B, PHE92C, PRO244B, PRO244C, PRO61B, PRO61C, PRO97B, PRO97C, SER112B, SER112C, SER120B, SER120C, SER151B, SER151C, THR110B, THR110C, THR159B, THR159C, THR161B, THR161C, TRP101B, TRP101C, TRP169B, TRP169C, TRP94B, TRP94C, TYR139B, TYR139C, TYR148B, TYR148C, VAL104B, VAL104C, VAL138B, VAL138C, VAL155B, VAL155C, VAL156B, VAL156C, VAL173B, VAL173C, VAL231B
• B-D: ALA197D, ALA199D, ALA200D, ALA242B, ALA242D, ALA243B, ALA243D, ALA245B, ARG137B, ARG137D, ARG160B, ARG238B, ARG238D, ASN142B, ASN142D, ASP235B, GLY141B, GLY141D, GLY237B, GLY237D, GLY241B, GLY241D, ILE198D, ILE240B, ILE240D, LEU140B, LEU140D, LEU143B, LEU143D, LYS196D, PHE233B, PRO202B, PRO202D, PRO244B, PRO244D, THR201D, THR239B, THR239D, TYR139B, VAL138B, VAL156B, VAL231B
• C-D: ALA163C, ALA163D, ALA177C, ALA177D, ALA197D, ALA199D, ALA200C, ALA200D, ALA206C, ALA206D, ALA213C, ALA213D, ALA215C, ALA215D, ALA216C, ALA216D, ALA242C, ALA242D, ALA243C, ALA243D, ALA245C, ALA245D, ARG137C, ARG137D, ARG160C, ARG160D, ARG168C, ARG168D, ARG172C, ARG172D, ARG205C, ARG205D, ARG238C, ARG238D, ARG2C, ARG2D, ASN174C, ASN174D, ASP222C, ASP222D, ASP235C, ASP235D, GLN230C, GLN230D, GLU165C, GLU165D, GLU182C, GLU182D, GLU211C, GLU211D, GLU223C, GLU223D, GLU28C, GLU28D, GLY129C, GLY129D, GLY157C, GLY157D, GLY167C, GLY167D, GLY170C, GLY170D, GLY179C, GLY179D, GLY204C, GLY204D, GLY207C, GLY207D, GLY229C, GLY229D, GLY236C, GLY236D, GLY237C, GLY237D, GLY241C, GLY241D, ILE171C, ILE171D, ILE181C, ILE181D, ILE198C, ILE198D, ILE227C, ILE227D, ILE240C, ILE240D, LEU140C, LEU140D, LEU162C, LEU162D, LEU164C, LEU164D, LEU166C, LEU166D, LEU176C, LEU176D, LEU203C, LEU203D, LEU210C, LEU210D, LEU217C, LEU217D, LEU219C, LEU219D, LEU232C, LEU232D, LEU24C, LEU24D, LYS208C, LYS208D, PHE180C, PHE180D, PHE218C, PHE218D, PHE226C, PHE226D, PHE233C, PHE233D, PRO128C, PRO128D, PRO178C, PRO178D, PRO202C, PRO202D, PRO244C, PRO244D, SER221C, SER221D, SER224C, SER224D, SER225C, SER225D, THR159C, THR159D, THR161C, THR161D, THR201C, THR201D, THR228C, THR228D, THR239C, THR239D, TRP169C, TRP169D, TYR139C, TYR139D, TYR214C, TYR214D, VAL156C, VAL156D, VAL173C, VAL173D, VAL212C, VAL212D, VAL231C, VAL231D, VAL234C, VAL234D
• D-E: ALA14D, ALA245E, ALA45D, ARG184D, ARG194E, ARG19D, ARG43D, ASN91E, ASP90E, GLU191E, GLU38D, GLU39D, GLU44D, GLU47D, GLU70D, GLY144E, GLY40D, HIS15D, HIS52D, HIS93E, ILE37D, LEU143E, LEU42D, LYS188E, LYS192E, LYS196E, LYS95E, PHE92E, PRO190E, PRO41D, PRO53D, TRP94E, VAL189E, VAL193E, VAL54D, VAL55D
• D-G: ALA199G, ALA62D, ARG106D, ARG205G, ARG66D, ARG89D, ASP57D, ASP60D, GLU102D, GLU191G, GLU195G, GLU211G, GLU99D, GLY204G, ILE198G, LEU103D, LEU203G, LEU98D, LYS208G, PRO61D, SER63D
• D-H: ALA118H, ALA122H, ALA187D, ALA69H, ALA71H, ALA73H, ALA7H, ALA85D, ARG124H, ARG168H, ARG184D, ARG31H, ARG66H, ARG77H, ARG89D, ASN127H, ASN91D, ASP100D, ASP222H, ASP36D, ASP57D, ASP5H, ASP79H, ASP90D, GLU121H, GLU125H, GLU165H, GLU191D, GLU38D, GLU39D, GLU65H, GLU70H, GLU99D, GLY129H, GLY144D, GLY167H, GLY16D, GLY170H, GLY40D, GLY76H, GLY86D, HIS15D, HIS74H, ILE171H, ILE37D, ILE87D, LEU103D, LEU164H, LEU166H, LEU72H, LEU75H, LYS117H, LYS126H, LYS188D, LYS192D, LYS4H, LYS6H, LYS95D, PHE68H, PHE92D, PRO128H, PRO190D, PRO41D, PRO61H, PRO97D, SER225H, THR186D, THR88D, TRP169H, TRP94D, VAL107D, VAL189D, VAL193D, VAL55D, VAL64H
• E-F: ALA163E, ALA163F, ALA177E, ALA177F, ALA197F, ALA200E, ALA200F, ALA206E, ALA206F, ALA213E, ALA213F, ALA215E, ALA215F, ALA216E, ALA216F, ALA242E, ALA242F, ARG137E, ARG137F, ARG160E, ARG160F, ARG168E, ARG168F, ARG172E, ARG172F, ARG205E, ARG205F, ARG238E, ARG238F, ARG2E, ARG2F, ASN174E, ASN174F, ASP222E, ASP222F, ASP235E, ASP235F, GLN230E, GLN230F, GLU165E, GLU165F, GLU182E, GLU182F, GLU211E, GLU211F, GLU223E, GLU223F, GLU28E, GLU28F, GLY129E, GLY129F, GLY157E, GLY157F, GLY167E, GLY167F, GLY170E, GLY170F, GLY179E, GLY179F, GLY204E, GLY204F, GLY207E, GLY207F, GLY229E, GLY229F, GLY236E, GLY236F, GLY237E, GLY237F, GLY241E, GLY241F, ILE171E, ILE171F, ILE181E, ILE181F, ILE198E, ILE198F, ILE227E, ILE227F, ILE240E, ILE240F, LEU140E, LEU140F, LEU162E, LEU162F, LEU164E, LEU164F, LEU166E, LEU166F, LEU176E, LEU176F, LEU203E, LEU203F, LEU210E, LEU210F, LEU217E, LEU217F, LEU219E, LEU219F, LEU232E, LEU232F, LEU24E, LEU24F, LYS208E, LYS208F, PHE180E, PHE180F, PHE218E, PHE218F, PHE226E, PHE226F, PHE233E, PHE233F, PRO128E, PRO178E, PRO178F, PRO202E, PRO202F, SER221E, SER221F, SER224E, SER224F, SER225E, SER225F, THR159E, THR159F, THR161E, THR161F, THR201E, THR201F, THR228E, THR228F, THR239E, THR239F, TRP169E, TRP169F, TYR214E, TYR214F, VAL156E, VAL156F, VAL173E, VAL173F, VAL212E, VAL212F, VAL231E, VAL231F, VAL234E, VAL234F
• E-G: ALA177E, ALA197G, ALA199G, ALA200G, ALA242E, ALA242G, ALA243E, ALA243G, ALA245E, ARG137E, ARG137G, ARG160E, ARG238E, ARG238G, ASN142E, ASN142G, ASP235E, GLY141E, GLY141G, GLY237E, GLY237G, GLY241E, GLY241G, ILE198G, ILE240E, ILE240G, LEU140E, LEU140G, LEU143E, LEU143G, LYS196G, PHE233E, PRO202E, PRO202G, PRO244E, PRO244G, THR201G, THR239E, THR239G, TYR139E, VAL138E, VAL231E
• E-H: ALA116E, ALA116H, ALA118E, ALA118H, ALA119E, ALA119H, ALA146E, ALA146H, ALA149E, ALA149H, ALA150E, ALA150H, ALA153E, ALA153H, ALA163E, ALA163H, ALA242E, ALA242H, ALA243E, ALA243H, ALA245E, ALA245H, ALA59E, ALA59H, ALA62E, ALA62H, ARG106E, ARG106H, ARG124E, ARG124H, ARG137E, ARG137H, ARG160E, ARG160H, ARG168E, ARG168H, ARG238E, ASN108E, ASN108H, ASN142E, ASN142H, ASN147E, ASN147H, ASN91E, ASN91H, ASP100E, ASP100H, ASP60E, ASP60H, GLN145E, GLN145H, GLN230E, GLU102E, GLU102H, GLU121E, GLU121H, GLU125E, GLU125H, GLU165E, GLU165H, GLU99E, GLU99H, GLY111E, GLY111H, GLY141E, GLY141H, GLY144E, GLY144H, GLY154E, GLY154H, GLY157E, GLY157H, GLY167E, GLY167H, GLY229E, HIS93E, HIS93H, ILE131E, ILE131H, ILE171E, ILE171H, LEU105E, LEU105H, LEU109E, LEU109H, LEU114E, LEU114H, LEU140E, LEU140H, LEU143E, LEU143H, LEU158E, LEU158H, LEU162E, LEU162H, LEU164E, LEU164H, LEU166E, LEU166H, LEU98E, LEU98H, LYS117E, LYS117H, LYS95E, LYS95H, PHE113E, PHE113H, PHE233E, PHE233H, PHE92E, PHE92H, PRO244E, PRO244H, PRO61E, PRO61H, PRO97E, PRO97H, SER112E, SER112H, SER120E, SER120H, SER151E, SER151H, THR110E, THR110H, THR159E, THR159H, THR161E, THR161H, TRP101E, TRP101H, TRP169E, TRP169H, TRP94E, TRP94H, TYR139E, TYR139H, TYR148E, TYR148H, VAL104E, VAL104H, VAL138E, VAL138H, VAL155E, VAL155H, VAL156E, VAL156H, VAL173E, VAL173H, VAL231E
• F-G: ALA116F, ALA116G, ALA118F, ALA118G, ALA119F, ALA119G, ALA146F, ALA146G, ALA149F, ALA149G, ALA150F, ALA150G, ALA153F, ALA153G, ALA163F, ALA163G, ALA242F, ALA242G, ALA243G, ALA245G, ALA59F, ALA59G, ALA62F, ALA62G, ARG106F, ARG106G, ARG124F, ARG124G, ARG137F, ARG137G, ARG160F, ARG160G, ARG168F, ARG168G, ASN108F, ASN108G, ASN142F, ASN142G, ASN147F, ASN147G, ASN91F, ASN91G, ASP100F, ASP100G, ASP60F, ASP60G, GLN145F, GLN145G, GLN230F, GLU102F, GLU102G, GLU121F, GLU121G, GLU125F, GLU125G, GLU165F, GLU165G, GLU99F, GLU99G, GLY111F, GLY111G, GLY141F, GLY141G, GLY144F, GLY144G, GLY154F, GLY154G, GLY157F, GLY157G, GLY167F, GLY167G, GLY229F, HIS93F, HIS93G, ILE131F, ILE131G, ILE171F, ILE171G, LEU105F, LEU105G, LEU109F, LEU109G, LEU114F, LEU114G, LEU140F, LEU140G, LEU143F, LEU143G, LEU158F, LEU158G, LEU162F, LEU162G, LEU164F, LEU164G, LEU166F, LEU166G, LEU98F, LEU98G, LYS117F, LYS117G, LYS95F, LYS95G, PHE113F, PHE113G, PHE233F, PHE233G, PHE92F, PHE92G, PRO244G, PRO61F, PRO61G, PRO97F, PRO97G, SER112F, SER112G, SER120F, SER120G, SER151F, SER151G, THR110F, THR110G, THR159F, THR159G, THR161F, THR161G, THR239G, TRP101F, TRP101G, TRP169F, TRP169G, TRP94F, TRP94G, TYR139F, TYR139G, TYR148F, TYR148G, VAL104F, VAL138F, VAL138G, VAL155F, VAL155G, VAL156F, VAL156G, VAL173F, VAL173G, VAL231F
• F-H: ALA177F, ALA200H, ALA242F, ALA242H, ALA243H, ARG137F, ARG137H, ARG160F, ARG238F, ARG238H, ASN142F, ASN142H, ASP235F, GLY141F, GLY141H, GLY237H, GLY241F, GLY241H, ILE240F, ILE240H, LEU140F, LEU140H, LEU143F, LEU143H, PHE233F, PRO202F, PRO202H, PRO244H, THR239F, THR239H, TYR139F, VAL138F, VAL231F
• G-H: ALA163G, ALA163H, ALA177G, ALA177H, ALA197G, ALA197H, ALA199G, ALA200G, ALA200H, ALA206G, ALA206H, ALA213G, ALA213H, ALA215G, ALA215H, ALA216G, ALA216H, ALA242G, ALA242H, ALA243G, ALA243H, ALA245G, ALA245H, ARG137G, ARG137H, ARG160G, ARG160H, ARG168G, ARG168H, ARG172G, ARG172H, ARG205G, ARG205H, ARG238G, ARG238H, ARG2G, ARG2H, ASN174G, ASN174H, ASP222G, ASP222H, ASP235G, ASP235H, GLN230G, GLN230H, GLU165G, GLU165H, GLU182G, GLU182H, GLU211G, GLU211H, GLU223G, GLU223H, GLU28G, GLU28H, GLY129G, GLY129H, GLY157G, GLY157H, GLY167G, GLY167H, GLY170G, GLY170H, GLY179G, GLY179H, GLY204G, GLY204H, GLY207G, GLY207H, GLY229G, GLY229H, GLY236G, GLY236H, GLY237G, GLY237H, GLY241G, GLY241H, ILE171G, ILE171H, ILE181G, ILE181H, ILE198G, ILE198H, ILE227G, ILE227H, ILE240G, ILE240H, LEU140G, LEU140H, LEU162G, LEU162H, LEU164G, LEU164H, LEU166G, LEU166H, LEU176G, LEU176H, LEU203G, LEU203H, LEU210G, LEU210H, LEU217G, LEU217H, LEU219G, LEU219H, LEU232G, LEU232H, LEU24G, LEU24H, LYS208G, LYS208H, PHE180G, PHE180H, PHE218G, PHE218H, PHE226G, PHE226H, PHE233G, PHE233H, PRO128G, PRO128H, PRO178G, PRO178H, PRO202G, PRO202H, PRO244G, PRO244H, SER221G, SER221H, SER224G, SER224H, SER225G, SER225H, THR159G, THR159H, THR161G, THR161H, THR201G, THR201H, THR228G, THR228H, THR239G, THR239H, TRP169G, TRP169H, TYR139G, TYR139H, TYR214G, TYR214H, VAL156G, VAL156H, VAL173G, VAL173H, VAL212G, VAL212H, VAL231G, VAL231H, VAL234G, VAL234H