1T0B

structure of thua-like protein from bacillus stearothermophilus

• Total interactions analyzed: 28
• Total true interactions: 12
• Strongest Interaction:
  • Chains: F-G
  • Int. Res.: 153
  • Norm. En. per Res.: -4.58
• 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	-49.9568	-54.7511	-187.592	-292.2999	105	8	0	7941	8	29	36
A-C	0.0	11.3164	-241.496	-230.1796	83	1	8	9250	0	24	31
A-D	-143.0413	35.1832	-492.862	-600.7201	144	23	6	18123	0	66	50
B-C	-137.9285	34.6713	-495.382	-598.6392	142	19	6	18217	0	68	52
B-D	0.0	6.4547	-236.414	-229.9593	85	2	8	9247	0	24	31
C-D	-64.0174	-86.293	-203.724	-354.0344	101	3	0	7769	8	28	35
E-F	-68.4061	-61.7384	-189.974	-320.1185	109	13	0	8040	8	28	36
E-G	-4.0142	11.0663	-252.015	-244.9629	87	8	8	9681	1	25	31
E-H	-163.034	30.8081	-523.408	-655.634	144	20	6	18724	1	75	51
F-G	-162.9133	0.5703	-538.393	-700.736	153	22	6	19821	2	83	57
F-H	0.0	27.8335	-240.992	-213.1585	83	7	8	9281	0	25	31
G-H	-66.0739	-55.3954	-203.127	-324.5964	106	8	0	7979	8	28	35

Interface residues

• A-B: ALA134A, ALA134B, ALA221A, ALA221B, ALA222A, ALA222B, ARG129A, ARG129B, ARG187A, ARG187B, ARG219B, ARG226A, ARG226B, ASN216A, ASN216B, ASN225A, ASN225B, ASP165A, ASP165B, GLU141A, GLU141B, GLU148A, GLU148B, GLU166A, GLU166B, GLU174A, GLU174B, GLU228B, GLU238A, GLU238B, GLU93A, GLU93B, GLY136A, GLY136B, GLY142A, GLY142B, GLY144A, GLY144B, GLY188A, GLY188B, GLY190A, GLY190B, GLY227A, GLY94A, GLY94B, HIS137A, HIS137B, ILE139A, ILE139B, ILE143A, ILE143B, ILE229A, ILE229B, LEU237A, LEU237B, LEU92A, LEU92B, LYS127A, LYS127B, LYS189A, LYS189B, LYS191A, LYS191B, LYS212A, LYS235A, LYS235B, PHE173A, PHE173B, PHE231A, PHE231B, PRO135A, PRO135B, PRO138A, PRO138B, PRO145A, PRO145B, PRO223A, PRO223B, PRO236A, PRO236B, PRO239A, PRO239B, THR184B, THR186A, THR186B, TRP131A, TRP131B, TRP172A, TRP172B, TRP220A, TRP220B, TYR146A, TYR146B, VAL132A, VAL132B, VAL133A, VAL133B, VAL140A, VAL140B, VAL224A, VAL224B, VAL230A, VAL230B, VAL234A, VAL234B
• A-C: ALA134A, ALA134C, ARG122A, ARG122C, ARG129A, ARG129C, ARG180A, ARG180C, ASP160A, ASP160C, ASP165A, ASP165C, GLU157A, GLU157C, GLU163A, GLU163C, GLU166A, GLU166C, GLU174A, GLU174C, GLU177A, GLU177C, GLU238A, GLY136A, GLY136C, GLY156A, GLY156C, GLY175A, GLY175C, GLY176A, GLY176C, HIS137C, ILE161A, ILE161C, ILE168C, ILE170A, ILE170C, LEU130A, LEU130C, LYS120A, LYS120C, LYS127A, LYS127C, LYS241A, LYS241C, MET154A, MET154C, PHE158A, PHE158C, PHE159A, PHE159C, PHE169A, PHE169C, PHE173A, PHE173C, PHE179A, PHE179C, PRO135A, PRO135C, PRO145A, PRO145C, PRO164A, PRO164C, PRO239A, PRO239C, SER171A, SER171C, SER181A, SER181C, THR167A, THR167C, TRP131A, TRP131C, TRP172A, TRP172C, TYR146A, TYR146C, VAL132A, VAL132C, VAL133A, VAL133C, VAL178A, VAL178C
• A-D: ALA124A, ALA124D, ALA242A, ALA242D, ARG122A, ARG122D, ARG187A, ARG187D, ARG89A, ARG89D, ASN118A, ASN118D, ASN233A, ASN233D, ASP125A, ASP125D, ASP160A, ASP160D, ASP165A, ASP165D, CYS117A, CYS117D, GLN151A, GLN151D, GLU123A, GLU123D, GLU126A, GLU126D, GLU150A, GLU150D, GLU152A, GLU152D, GLU153A, GLU153D, GLU157A, GLU157D, GLU163A, GLU163D, GLU166A, GLU174A, GLU174D, GLU177A, GLU177D, GLU238A, GLU238D, GLU93A, GLU93D, GLY114A, GLY114D, GLY156A, GLY156D, GLY175A, GLY175D, GLY176A, GLY176D, GLY188A, GLY188D, GLY190A, GLY190D, GLY232A, GLY232D, HIS104A, HIS104D, HIS88A, HIS88D, ILE108A, ILE161A, ILE161D, ILE192A, ILE192D, ILE229A, ILE229D, ILE240A, ILE240D, LEU112A, LEU112D, LEU119A, LEU119D, LEU237A, LEU237D, LEU92A, LEU92D, LYS110A, LYS110D, LYS111A, LYS111D, LYS120A, LYS120D, LYS127A, LYS127D, LYS189A, LYS189D, LYS235A, LYS235D, LYS241A, LYS241D, MET113A, MET113D, MET154A, MET154D, PHE105A, PHE105D, PHE109A, PHE109D, PHE158A, PHE158D, PHE159A, PHE159D, PHE173A, PHE173D, PHE179A, PHE179D, PHE185A, PHE185D, PHE231A, PHE231D, PRO162A, PRO162D, PRO164A, PRO164D, PRO236A, PRO236D, PRO239A, PRO239D, THR115A, THR115D, THR116A, THR116D, THR186A, THR186D, TRP121A, TRP121D, TRP172A, TRP172D, TYR155A, TYR155D, VAL178A, VAL178D, VAL230A, VAL230D, VAL234A, VAL234D, VAL91A, VAL91D
• B-C: ALA124B, ALA124C, ALA242B, ALA242C, ARG122B, ARG122C, ARG187B, ARG187C, ARG89B, ARG89C, ASN118B, ASN118C, ASN233B, ASN233C, ASP125B, ASP125C, ASP160B, ASP160C, ASP165B, ASP165C, CYS117B, CYS117C, GLN151B, GLN151C, GLU123B, GLU123C, GLU126B, GLU126C, GLU150B, GLU150C, GLU152B, GLU152C, GLU153B, GLU153C, GLU157B, GLU157C, GLU163B, GLU163C, GLU174B, GLU174C, GLU177B, GLU177C, GLU238B, GLU238C, GLU93C, GLY114B, GLY114C, GLY156B, GLY156C, GLY175B, GLY175C, GLY176B, GLY176C, GLY188B, GLY188C, GLY190B, GLY190C, GLY232B, GLY232C, HIS104B, HIS104C, HIS88B, HIS88C, ILE108B, ILE161B, ILE161C, ILE192B, ILE192C, ILE229B, ILE229C, ILE240B, ILE240C, LEU112B, LEU112C, LEU119B, LEU119C, LEU237B, LEU237C, LEU92B, LEU92C, LYS110B, LYS110C, LYS111B, LYS111C, LYS120B, LYS120C, LYS127B, LYS127C, LYS189B, LYS189C, LYS235B, LYS235C, LYS241B, LYS241C, MET113B, MET113C, MET154B, MET154C, PHE105B, PHE105C, PHE109B, PHE109C, PHE158B, PHE158C, PHE159B, PHE159C, PHE173B, PHE173C, PHE179B, PHE179C, PHE185B, PHE185C, PHE231B, PHE231C, PRO162B, PRO162C, PRO164B, PRO164C, PRO236B, PRO236C, PRO239B, PRO239C, THR115B, THR115C, THR116B, THR116C, THR186B, THR186C, TRP121B, TRP121C, TRP172B, TRP172C, TYR155B, TYR155C, VAL178B, VAL178C, VAL230B, VAL230C, VAL234B, VAL234C, VAL91B, VAL91C
• B-D: ALA134B, ALA134D, ARG122B, ARG122D, ARG129B, ARG129D, ARG180B, ARG180D, ASP160B, ASP160D, ASP165B, ASP165D, GLU157B, GLU157D, GLU163B, GLU163D, GLU166B, GLU166D, GLU174B, GLU174D, GLU177B, GLU177D, GLU238B, GLU238D, GLY136B, GLY136D, GLY156B, GLY156D, GLY175B, GLY175D, GLY176B, GLY176D, HIS137B, ILE161B, ILE161D, ILE168B, ILE168D, ILE170B, ILE170D, LEU130B, LEU130D, LYS120B, LYS120D, LYS127B, LYS127D, LYS241B, LYS241D, MET154B, MET154D, PHE158B, PHE158D, PHE159B, PHE159D, PHE169B, PHE169D, PHE173B, PHE173D, PHE179B, PHE179D, PRO135B, PRO135D, PRO145B, PRO145D, PRO164B, PRO164D, PRO239B, PRO239D, SER171B, SER171D, SER181B, SER181D, THR167B, THR167D, TRP131B, TRP131D, TRP172B, TRP172D, TYR146B, TYR146D, VAL132B, VAL132D, VAL133B, VAL133D, VAL178B, VAL178D
• C-D: ALA134C, ALA134D, ALA222C, ALA222D, ARG129C, ARG129D, ARG187C, ARG187D, ARG226C, ARG226D, ASN216C, ASN216D, ASN225C, ASN225D, ASP165C, ASP165D, GLU141C, GLU141D, GLU148C, GLU148D, GLU166C, GLU166D, GLU174C, GLU174D, GLU238C, GLU238D, GLU93C, GLU93D, GLY136C, GLY136D, GLY142C, GLY142D, GLY144C, GLY144D, GLY188C, GLY188D, GLY190C, GLY190D, GLY227C, GLY227D, GLY94C, GLY94D, HIS137C, HIS137D, ILE139C, ILE139D, ILE143C, ILE143D, ILE229C, ILE229D, LEU237C, LEU237D, LEU92C, LEU92D, LYS127C, LYS127D, LYS189C, LYS189D, LYS191C, LYS191D, LYS212D, LYS235C, LYS235D, PHE173C, PHE173D, PHE231C, PHE231D, PRO135C, PRO135D, PRO138C, PRO138D, PRO145C, PRO145D, PRO223C, PRO223D, PRO236C, PRO236D, PRO239C, PRO239D, THR186C, THR186D, TRP131C, TRP131D, TRP172C, TRP172D, TRP220C, TRP220D, TYR146C, TYR146D, VAL132C, VAL132D, VAL133C, VAL133D, VAL140C, VAL140D, VAL224C, VAL224D, VAL230C, VAL230D, VAL234C, VAL234D
• E-F: ALA134E, ALA134F, ALA221E, ALA221F, ALA222E, ALA222F, ARG129E, ARG129F, ARG187E, ARG187F, ARG219E, ARG219F, ARG226E, ARG226F, ASN216E, ASN216F, ASN225E, ASN225F, ASP165E, ASP165F, GLU141E, GLU141F, GLU148E, GLU148F, GLU150F, GLU166E, GLU166F, GLU174E, GLU174F, GLU238E, GLU238F, GLU93E, GLU93F, GLY136E, GLY136F, GLY142E, GLY142F, GLY144E, GLY144F, GLY175F, GLY176F, GLY188E, GLY188F, GLY190E, GLY190F, GLY227E, GLY227F, GLY94E, GLY94F, HIS137E, HIS137F, ILE139E, ILE139F, ILE143E, ILE143F, ILE229E, ILE229F, LEU237E, LEU237F, LEU92E, LEU92F, LYS127E, LYS127F, LYS189E, LYS189F, LYS191E, LYS191F, LYS212F, LYS235E, LYS235F, LYS241E, PHE173E, PHE173F, PHE231E, PHE231F, PRO135E, PRO135F, PRO138E, PRO138F, PRO145E, PRO145F, PRO223E, PRO223F, PRO236E, PRO236F, PRO239E, PRO239F, THR186E, THR186F, TRP131E, TRP131F, TRP172E, TRP172F, TRP220E, TRP220F, TYR146E, TYR146F, VAL132E, VAL132F, VAL133E, VAL133F, VAL140E, VAL140F, VAL224E, VAL224F, VAL230E, VAL230F, VAL234E, VAL234F
• E-G: ALA134E, ALA134G, ARG122E, ARG122G, ARG129E, ARG129G, ARG180E, ARG180G, ASP160E, ASP160G, ASP165E, ASP165G, GLU157E, GLU157G, GLU163E, GLU163G, GLU166E, GLU166G, GLU174E, GLU174G, GLU177E, GLU177G, GLU238E, GLU238G, GLY136E, GLY136G, GLY156E, GLY156G, GLY175E, GLY175G, GLY176E, GLY176G, HIS137G, ILE161E, ILE161G, ILE168E, ILE168G, ILE170E, ILE170G, LEU130E, LEU130G, LEU237G, LYS120E, LYS120G, LYS127E, LYS127G, LYS241E, LYS241G, MET154E, MET154G, PHE158E, PHE158G, PHE159E, PHE159G, PHE169E, PHE169G, PHE173E, PHE173G, PHE179E, PHE179G, PRO135E, PRO135G, PRO145E, PRO145G, PRO164E, PRO164G, PRO239E, PRO239G, SER171E, SER171G, SER181E, SER181G, THR167E, THR167G, THR184E, TRP131E, TRP131G, TRP172E, TRP172G, TYR146E, TYR146G, VAL132E, VAL132G, VAL133E, VAL133G, VAL178E, VAL178G
• E-H: ALA124E, ALA124H, ALA242E, ALA242H, ARG122E, ARG122H, ARG129H, ARG187E, ARG187H, ARG89E, ARG89H, ASN118E, ASN118H, ASN233E, ASN233H, ASP125E, ASP125H, ASP160E, ASP160H, ASP165E, ASP165H, CYS117E, CYS117H, GLN151E, GLN151H, GLU123E, GLU123H, GLU126E, GLU126H, GLU150E, GLU150H, GLU152E, GLU152H, GLU153E, GLU153H, GLU157E, GLU157H, GLU163E, GLU163H, GLU174E, GLU174H, GLU177E, GLU177H, GLU238E, GLU238H, GLU93E, GLY114E, GLY114H, GLY156E, GLY156H, GLY175E, GLY175H, GLY176E, GLY176H, GLY188E, GLY188H, GLY190E, GLY190H, GLY232E, GLY232H, HIS104E, HIS104H, HIS88E, HIS88H, ILE161E, ILE161H, ILE192E, ILE192H, ILE229E, ILE229H, ILE240E, ILE240H, LEU112E, LEU112H, LEU119E, LEU119H, LEU237E, LEU237H, LEU92E, LEU92H, LYS110E, LYS110H, LYS111E, LYS111H, LYS120E, LYS120H, LYS127E, LYS127H, LYS189E, LYS189H, LYS235E, LYS235H, LYS241E, LYS241H, LYS243H, MET113E, MET113H, MET154E, MET154H, PHE105E, PHE105H, PHE109E, PHE109H, PHE158E, PHE158H, PHE159E, PHE159H, PHE173E, PHE173H, PHE179E, PHE179H, PHE185E, PHE185H, PHE231E, PHE231H, PRO162E, PRO162H, PRO164E, PRO164H, PRO236E, PRO236H, PRO239E, PRO239H, THR115E, THR115H, THR116E, THR116H, THR186E, THR186H, TRP121E, TRP121H, TRP172E, TRP172H, TYR155E, TYR155H, TYR202E, VAL178E, VAL178H, VAL230E, VAL230H, VAL234E, VAL234H, VAL91E, VAL91H
• F-G: ALA124F, ALA124G, ALA242F, ALA242G, ARG122F, ARG122G, ARG187F, ARG187G, ARG89F, ARG89G, ASN118F, ASN118G, ASN233F, ASN233G, ASP125F, ASP125G, ASP160F, ASP160G, ASP165F, ASP165G, CYS117F, CYS117G, GLN151F, GLN151G, GLN244G, GLU123F, GLU123G, GLU126F, GLU126G, GLU128F, GLU128G, GLU150F, GLU150G, GLU152F, GLU152G, GLU153F, GLU153G, GLU157F, GLU157G, GLU163F, GLU163G, GLU174F, GLU174G, GLU177F, GLU177G, GLU228G, GLU238F, GLU238G, GLU93F, GLU93G, GLY114F, GLY114G, GLY156F, GLY156G, GLY175F, GLY175G, GLY176F, GLY176G, GLY188F, GLY188G, GLY190F, GLY190G, GLY232F, GLY232G, HIS104F, HIS104G, HIS88F, HIS88G, ILE108F, ILE161F, ILE161G, ILE192F, ILE192G, ILE229F, ILE229G, ILE240F, ILE240G, LEU112F, LEU112G, LEU119F, LEU119G, LEU149F, LEU149G, LEU237F, LEU237G, LEU92F, LEU92G, LYS110F, LYS110G, LYS111F, LYS111G, LYS120F, LYS120G, LYS127F, LYS127G, LYS189F, LYS189G, LYS235F, LYS235G, LYS241F, LYS241G, LYS243F, LYS243G, MET113F, MET113G, MET154F, MET154G, PHE105F, PHE105G, PHE109F, PHE109G, PHE158F, PHE158G, PHE159F, PHE159G, PHE173F, PHE173G, PHE179F, PHE179G, PHE185F, PHE185G, PHE231F, PHE231G, PRO162F, PRO162G, PRO164F, PRO164G, PRO236F, PRO236G, PRO239F, PRO239G, THR115F, THR115G, THR116F, THR116G, THR186F, THR186G, TRP121F, TRP121G, TRP172F, TRP172G, TYR155F, TYR155G, TYR202F, TYR202G, VAL178F, VAL178G, VAL230F, VAL230G, VAL234F, VAL234G, VAL91F, VAL91G
• F-H: ALA134F, ALA134H, ARG122F, ARG122H, ARG129F, ARG129H, ARG180F, ARG180H, ASP160F, ASP160H, ASP165F, ASP165H, GLU148F, GLU157F, GLU157H, GLU163F, GLU163H, GLU166F, GLU166H, GLU174F, GLU174H, GLU177F, GLU177H, GLU238F, GLU238H, GLY136F, GLY136H, GLY156F, GLY156H, GLY175F, GLY175H, GLY176F, GLY176H, ILE161F, ILE161H, ILE170F, ILE170H, LEU130F, LEU130H, LYS120F, LYS120H, LYS127F, LYS127H, LYS241F, LYS241H, MET154F, MET154H, PHE158F, PHE158H, PHE159F, PHE159H, PHE169F, PHE169H, PHE173F, PHE173H, PHE179F, PHE179H, PRO135F, PRO135H, PRO145F, PRO145H, PRO164F, PRO164H, PRO239F, PRO239H, SER171F, SER171H, SER181F, SER181H, THR167F, THR167H, TRP131F, TRP131H, TRP172F, TRP172H, TYR146F, TYR146H, VAL132F, VAL132H, VAL133F, VAL133H, VAL178F, VAL178H
• G-H: ALA134G, ALA134H, ALA221G, ALA221H, ALA222G, ALA222H, ARG129G, ARG129H, ARG187G, ARG187H, ARG219G, ARG219H, ARG226G, ARG226H, ASN216G, ASN216H, ASN225G, ASN225H, ASP165G, ASP165H, GLU141G, GLU141H, GLU148G, GLU148H, GLU166G, GLU166H, GLU174G, GLU174H, GLU238G, GLU238H, GLU93G, GLU93H, GLY136G, GLY136H, GLY142G, GLY142H, GLY144G, GLY144H, GLY188G, GLY188H, GLY190G, GLY190H, GLY227G, GLY227H, GLY94G, GLY94H, HIS137G, HIS137H, ILE139G, ILE139H, ILE143G, ILE143H, ILE229G, ILE229H, LEU237G, LEU237H, LEU92G, LEU92H, LYS127G, LYS127H, LYS189G, LYS189H, LYS191G, LYS191H, LYS212G, LYS212H, LYS235G, LYS235H, PHE173G, PHE173H, PHE231G, PHE231H, PRO135G, PRO135H, PRO138G, PRO138H, PRO145G, PRO145H, PRO223G, PRO223H, PRO236G, PRO236H, PRO239G, PRO239H, THR186G, THR186H, TRP131G, TRP131H, TRP172G, TRP172H, TRP220G, TRP220H, TYR146G, TYR146H, VAL132G, VAL132H, VAL133G, VAL133H, VAL140G, VAL140H, VAL224G, VAL224H, VAL230G, VAL230H, VAL234G, VAL234H