3TPC

crystal structure of a hypothtical protein sma1452 from sinorhizobium meliloti 1021

• Total interactions analyzed: 28
• Total true interactions: 13
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 161
  • Norm. En. per Res.: -3.973
• 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	0.0	-8.3088	-1.0687	-9.3775	12	0	0	228	0	6	6
A-C	-36.2685	-44.7872	-364.727	-445.7827	131	6	11	14464	8	40	38
A-D	-77.0172	-8.7331	-553.896	-639.6462	161	18	40	22511	0	24	32
A-F	-35.5473	-83.1861	-83.3351	-202.0685	55	3	3	3353	8	20	16
B-C	-70.21	-5.8619	-543.872	-619.9439	163	14	39	22514	0	24	32
B-D	-69.7141	-13.8895	-299.011	-382.6147	131	24	11	14392	3	38	35
B-E	0.0	4.0123	-4.8893	-0.877	10	0	0	362	0	4	4
C-D	0.0	-7.9025	-1.1123	-9.0148	13	0	0	234	0	6	6
C-E	-10.102	24.9988	-57.0818	-42.185	51	0	3	2275	0	10	16
C-G	0.0	0.0	-1.3093	-1.3093	13	0	0	128	0	5	4
D-F	0.0	0.0	-0.0976	-0.0976	2	0	0	11	0	2	2
D-H	0.0	0.0	-0.0018	-0.0018	2	0	0	2	0	0	0
E-G	-73.8357	-2.1859	-542.971	-618.9925	162	16	38	22294	0	25	32

Interface residues

• A-B: ARG253A, ARG253B, ASP155A, ASP155B, GLY156A, GLY156B, ILE158A, ILE158B, PHE154A, PHE154B, PRO217A, PRO217B
• A-C: ALA138A, ALA138C, ALA177A, ALA178A, ALA178C, ALA182A, ALA182C, ALA192A, ALA192C, ALA229A, ALA229C, ALA230A, ALA230C, ALA251A, ALA251C, ARG142A, ARG142C, ARG179A, ARG179C, ARG183A, ARG183C, ARG187A, ARG187C, ARG221A, ARG221C, ARG224A, ARG224C, ARG247A, ARG247C, ARG253A, ARG253C, ASN238A, ASN238C, ASN242A, ASN242C, ASP137A, ASP137C, ASP139A, ASP139C, ASP155A, ASP155C, ASP249A, ASP249C, GLU141A, GLU141C, GLU180A, GLU180C, GLU226A, GLU226C, GLU227A, GLU227C, GLU237A, GLU237C, GLU244A, GLU244C, GLY140A, GLY140C, GLY143A, GLY143C, GLY185A, GLY185C, GLY223A, GLY223C, GLY243A, GLY243C, GLY250A, GLY250C, HIS234A, HIS234C, ILE151A, ILE151C, ILE186A, ILE186C, ILE191A, ILE191C, ILE235A, ILE235C, ILE246A, ILE246C, LEU175A, LEU175C, LEU181A, LEU181C, LEU231A, LEU231C, LEU241A, LEU241C, LEU248A, LEU248C, LEU252A, LEU252C, LYS233A, LYS233C, PHE154A, PHE154C, PHE184A, PHE184C, PHE196A, PHE196C, PHE218A, PHE218C, PRO136A, PRO136C, PRO176A, PRO176C, PRO193C, PRO217A, PRO217C, PRO219A, PRO219C, PRO220A, PRO220C, SER215A, THR174A, THR174C, THR239A, THR239C, TYR228A, TYR228C, VAL144A, VAL144C, VAL188A, VAL188C, VAL189A, VAL189C, VAL216A, VAL216C, VAL232A, VAL232C, VAL245A, VAL245C
• A-D: ALA105A, ALA105D, ALA110A, ALA110D, ALA114A, ALA114D, ALA127A, ALA127D, ALA128A, ALA128D, ALA152A, ALA152D, ALA153A, ALA153D, ALA161A, ALA161D, ALA162A, ALA162D, ALA164A, ALA164D, ALA165A, ALA165D, ALA171A, ALA171D, ALA172A, ALA172D, ALA177A, ALA177D, ALA178A, ALA178D, ALA182A, ALA182D, ALA66A, ALA66D, ALA68A, ALA68D, ARG100A, ARG100D, ARG111A, ARG111D, ARG125A, ARG125D, ARG179A, ARG179D, ARG183A, ARG183D, ARG253A, ARG253D, ASN122A, ASN122D, ASN64A, ASN64D, ASP107A, ASP107D, ASP155A, ASP155D, GLN133A, GLN133D, GLN157A, GLN157D, GLN160A, GLN160D, GLU129A, GLU129D, GLU180A, GLU180D, GLU65A, GLU65D, GLU95A, GLU95D, GLY102A, GLY102D, GLY119A, GLY119D, GLY156A, GLY156D, GLY159A, GLY159D, GLY168A, GLY168D, GLY169A, GLY169D, GLY99A, GLY99D, HIS104A, HIS104D, ILE118A, ILE118D, ILE124A, ILE124D, ILE145A, ILE145D, ILE151A, ILE151D, ILE158A, ILE158D, ILE186A, ILE186D, ILE97A, ILE97D, LEU106A, LEU106D, LEU117A, LEU117D, LEU126A, LEU126D, LEU173A, LEU173D, LEU175A, LEU175D, LEU181A, LEU181D, LEU72A, LEU98A, LEU98D, LYS167A, LYS167D, LYS96A, LYS96D, PHE109A, PHE109D, PHE121A, PHE121D, PHE154A, PHE154D, PHE184A, PHE184D, PRO103A, PRO103D, PRO176A, PRO176D, SER101A, SER101D, SER108A, SER108D, SER132A, SER132D, SER166A, SER166D, THR112A, THR112D, THR120A, THR120D, THR174A, THR174D, THR63A, THR63D, THR69A, THR69D, TYR163A, TYR163D, VAL113A, VAL113D, VAL130A, VAL130D, VAL170A, VAL170D, VAL188A, VAL188D, VAL62A, VAL62D
• A-F: ALA105A, ALA60A, ALA60F, ALA66A, ALA66F, ALA68A, ALA68F, ALA70A, ALA70F, ALA71A, ALA71F, ALA73F, ARG111A, ARG111F, ARG58A, ARG58F, ASN59A, ASN59F, ASN64A, ASN64F, ASP107A, ASP38A, ASP61A, ASP61F, ASP67A, ASP67F, GLN133F, GLN77F, GLU129F, GLU65A, GLU65F, GLU78F, LEU106A, LEU126F, LEU35A, LEU37A, LEU39A, LEU39F, LEU72F, LYS40A, LYS76F, PHE57A, PHE57F, PHE74A, PHE74F, PRO41A, SER108A, THR63A, THR63F, THR69F, THR91A, VAL115A, VAL130F, VAL62A, VAL62F
• B-C: ALA105B, ALA105C, ALA110B, ALA110C, ALA114B, ALA114C, ALA127B, ALA127C, ALA128B, ALA128C, ALA152B, ALA152C, ALA153B, ALA153C, ALA161B, ALA161C, ALA162B, ALA162C, ALA164B, ALA164C, ALA165B, ALA165C, ALA171B, ALA171C, ALA172B, ALA172C, ALA177B, ALA177C, ALA178B, ALA178C, ALA182B, ALA182C, ALA66B, ALA66C, ALA68B, ALA68C, ARG100B, ARG100C, ARG111B, ARG111C, ARG125B, ARG125C, ARG179B, ARG179C, ARG183B, ARG183C, ARG253B, ARG253C, ASN116B, ASN116C, ASN122B, ASN122C, ASN64B, ASN64C, ASP107B, ASP107C, ASP155B, ASP155C, GLN133B, GLN133C, GLN157B, GLN157C, GLN160B, GLN160C, GLU129B, GLU129C, GLU180B, GLU180C, GLU65B, GLU65C, GLU95B, GLU95C, GLY102B, GLY102C, GLY119B, GLY119C, GLY156B, GLY156C, GLY159B, GLY159C, GLY168B, GLY168C, GLY169B, GLY169C, GLY99B, GLY99C, HIS104B, HIS104C, ILE118B, ILE118C, ILE124B, ILE124C, ILE145B, ILE145C, ILE151B, ILE151C, ILE158B, ILE158C, ILE186B, ILE186C, ILE97B, ILE97C, LEU106B, LEU106C, LEU117B, LEU117C, LEU126B, LEU126C, LEU173B, LEU173C, LEU175B, LEU175C, LEU181B, LEU181C, LEU72B, LEU98B, LEU98C, LYS167B, LYS167C, LYS96B, LYS96C, PHE109B, PHE109C, PHE121B, PHE121C, PHE154B, PHE154C, PHE184B, PHE184C, PRO103B, PRO103C, PRO176B, PRO176C, SER101B, SER101C, SER108B, SER108C, SER132B, SER132C, SER166B, SER166C, THR112B, THR112C, THR120B, THR120C, THR174B, THR174C, THR63B, THR63C, THR69B, THR69C, TYR163B, TYR163C, VAL113B, VAL113C, VAL130B, VAL130C, VAL170B, VAL170C, VAL188B, VAL188C, VAL62B, VAL62C
• B-D: ALA138B, ALA138D, ALA177D, ALA178B, ALA178D, ALA182B, ALA182D, ALA192B, ALA192D, ALA229B, ALA229D, ALA230B, ALA230D, ALA251B, ALA251D, ARG142B, ARG142D, ARG179B, ARG179D, ARG183B, ARG183D, ARG187B, ARG187D, ARG221B, ARG221D, ARG224B, ARG224D, ARG247B, ARG247D, ARG253B, ARG253D, ASN238B, ASN238D, ASN242B, ASN242D, ASP137B, ASP137D, ASP139B, ASP139D, ASP155D, ASP249B, ASP249D, CYS236B, CYS236D, GLU141B, GLU141D, GLU180B, GLU180D, GLU226B, GLU226D, GLU227B, GLU227D, GLU237B, GLU237D, GLU244B, GLU244D, GLY140B, GLY140D, GLY143B, GLY143D, GLY185B, GLY185D, GLY223B, GLY223D, GLY243B, GLY243D, GLY250B, GLY250D, HIS234B, HIS234D, ILE151B, ILE151D, ILE186B, ILE186D, ILE191B, ILE191D, ILE235B, ILE235D, ILE246B, ILE246D, LEU175B, LEU175D, LEU181B, LEU181D, LEU231B, LEU231D, LEU241B, LEU241D, LEU248B, LEU248D, LEU252B, LEU252D, LYS233B, LYS233D, PHE154B, PHE154D, PHE184B, PHE184D, PHE196B, PHE196D, PHE218B, PHE218D, PRO136B, PRO136D, PRO176B, PRO176D, PRO217B, PRO217D, PRO219B, PRO219D, PRO220B, PRO220D, SER215D, THR174B, THR174D, THR239B, THR239D, TYR228B, TYR228D, VAL144B, VAL144D, VAL188B, VAL188D, VAL189B, VAL189D, VAL216B, VAL216D, VAL232B, VAL232D, VAL245B, VAL245D
• B-E: ALA110B, ALA114B, ARG111B, ASN59E, ASP107B, LEU39E, LYS40E, PRO41E, SER108B, THR63B
• C-D: ARG247C, ARG253C, ARG253D, ASP155C, ASP155D, GLY156C, GLY156D, ILE158C, ILE158D, PHE154C, PHE154D, PRO217C, PRO217D
• C-E: ALA105C, ALA110E, ALA114E, ALA60C, ALA60E, ALA66C, ALA66E, ALA68C, ALA68E, ALA70C, ALA70E, ALA71C, ALA71E, ARG100C, ARG100E, ARG111C, ARG111E, ARG58C, ARG58E, ASN59C, ASN59E, ASN64C, ASN64E, ASP107C, ASP107E, ASP61C, ASP61E, ASP67C, ASP67E, GLU65C, GLU65E, GLY102C, GLY99C, GLY99E, LEU39C, LEU39E, LYS40C, SER101C, SER101E, SER108C, SER108E, THR112E, THR63C, THR63E, THR69C, THR69E, THR91C, THR91E, VAL115E, VAL62C, VAL62E
• C-G: ALA110G, ALA114G, ARG111G, ASN59C, ASN64G, ASP107G, ILE118G, LEU106G, LEU39C, LYS40C, PRO41C, SER108G, THR63G
• D-F: ARG111F, GLU65D
• D-H: ARG25H, SER101D
• E-G: ALA105E, ALA105G, ALA110E, ALA110G, ALA114E, ALA114G, ALA127E, ALA127G, ALA128E, ALA128G, ALA152E, ALA152G, ALA153E, ALA153G, ALA161E, ALA161G, ALA162E, ALA162G, ALA164E, ALA164G, ALA165E, ALA165G, ALA171E, ALA171G, ALA172E, ALA172G, ALA177E, ALA177G, ALA178E, ALA178G, ALA182E, ALA182G, ALA66E, ALA66G, ALA68E, ALA68G, ARG100E, ARG100G, ARG111E, ARG111G, ARG125E, ARG125G, ARG179E, ARG179G, ARG183E, ARG183G, ARG253E, ARG253G, ASN116G, ASN122E, ASN122G, ASN64E, ASN64G, ASP107E, ASP107G, ASP155E, ASP155G, GLN133E, GLN133G, GLN157E, GLN157G, GLN160E, GLN160G, GLU129E, GLU129G, GLU180E, GLU180G, GLU65E, GLU65G, GLU95E, GLU95G, GLY102E, GLY102G, GLY119E, GLY119G, GLY156E, GLY156G, GLY159E, GLY159G, GLY168E, GLY168G, GLY169E, GLY169G, GLY99E, GLY99G, HIS104E, HIS104G, ILE118E, ILE118G, ILE124E, ILE124G, ILE145E, ILE145G, ILE151E, ILE151G, ILE158E, ILE158G, ILE186E, ILE186G, ILE97E, ILE97G, LEU106E, LEU106G, LEU117E, LEU117G, LEU126E, LEU126G, LEU173E, LEU173G, LEU175E, LEU175G, LEU181E, LEU181G, LEU72G, LEU98E, LEU98G, LYS167E, LYS167G, LYS96E, LYS96G, PHE109E, PHE109G, PHE121E, PHE121G, PHE154E, PHE154G, PHE184E, PHE184G, PRO103E, PRO103G, PRO176E, PRO176G, SER101E, SER101G, SER108E, SER108G, SER132E, SER132G, SER166E, SER166G, THR112E, THR112G, THR120E, THR120G, THR174E, THR174G, THR63E, THR63G, THR69E, THR69G, TYR163E, TYR163G, VAL113E, VAL113G, VAL130E, VAL130G, VAL170E, VAL170G, VAL188E, VAL188G, VAL62E, VAL62G