2E6B

crystal structure of the stationary phase survival protein sure from thermus thermophilus hb8 in complex with magnesium and tungstate

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 240
  • Norm. En. per Res.: -5.5014
• 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	-226.3513	-161.8718	-932.124	-1320.3472	240	67	35	36216	9	54	60
A-C	0.0	12.2648	-115.48	-103.2152	89	6	1	5476	0	21	9
A-D	-11.6772	12.354	-85.2443	-84.5675	50	1	0	3488	0	7	9
B-C	-19.796	20.3111	-86.0388	-85.5237	52	5	0	3414	0	7	9
B-D	0.0	0.0	-30.4711	-30.4711	34	2	0	1518	0	8	5
C-D	-169.8306	-63.4696	-836.18	-1069.4803	218	64	34	32489	4	56	62

Interface residues

• A-B: ALA112A, ALA112B, ALA113A, ALA113B, ALA124A, ALA124B, ALA181A, ALA181B, ALA201A, ALA201B, ALA224A, ALA224B, ALA242A, ALA32B, ALA44A, ALA44B, ALA48A, ALA48B, ALA53A, ALA53B, ALA75A, ALA75B, ALA79A, ALA79B, ARG147A, ARG154A, ARG154B, ARG157A, ARG157B, ARG176A, ARG176B, ARG180A, ARG180B, ARG195A, ARG195B, ARG203A, ARG203B, ARG228A, ARG228B, ARG236A, ARG236B, ARG52A, ARG52B, ARG69A, ARG71A, ARG71B, ASN132B, ASN162A, ASN162B, ASP191A, ASP191B, ASP213A, ASP213B, ASP230A, ASP230B, ASP233A, ASP233B, ASP76A, ASP76B, CYS77A, CYS77B, GLN116A, GLN116B, GLN177A, GLN177B, GLN238A, GLN238B, GLU104A, GLU104B, GLU150B, GLU156A, GLU156B, GLU183A, GLU183B, GLU190A, GLU190B, GLU234A, GLU234B, GLY102A, GLY102B, GLY109A, GLY109B, GLY117A, GLY117B, GLY121A, GLY121B, GLY184A, GLY184B, GLY189A, GLY189B, GLY194A, GLY194B, GLY211A, GLY211B, GLY42A, GLY72A, GLY72B, GLY81A, GLY81B, HIS103A, HIS103B, HIS107A, HIS107B, HIS43A, HIS43B, HIS49A, HIS49B, HIS83A, HIS83B, ILE105A, ILE105B, ILE187A, ILE187B, ILE45A, ILE45B, ILE47A, ILE47B, LEU119A, LEU119B, LEU122A, LEU122B, LEU152A, LEU152B, LEU153B, LEU155A, LEU155B, LEU160A, LEU160B, LEU173A, LEU173B, LEU205A, LEU205B, LEU227A, LEU227B, LEU229A, LEU229B, LEU231A, LEU231B, LEU237A, LEU237B, LEU241A, LEU241B, LEU80A, LEU80B, LEU82A, LEU82B, LEU84A, LEU84B, LYS115A, LYS115B, MET193A, MET193B, PHE120A, PHE120B, PHE159A, PHE159B, PHE172A, PHE172B, PHE197A, PHE197B, PHE200A, PHE200B, PRO158A, PRO158B, PRO188A, PRO188B, PRO192A, PRO192B, PRO196A, PRO196B, PRO202A, PRO202B, PRO204A, PRO204B, PRO226A, PRO226B, PRO239A, PRO239B, PRO50A, PRO50B, PRO55A, PRO55B, PRO74B, SER108A, SER108B, SER123A, SER123B, SER178A, SER178B, THR151A, THR151B, THR175A, THR175B, THR212A, THR212B, THR225A, THR225B, THR232A, THR232B, THR235A, THR235B, THR240A, THR240B, THR46A, THR46B, THR73A, THR73B, TRP106A, TRP106B, TRP174A, TRP174B, TRP199A, TRP199B, TRP215A, TYR118A, TYR118B, TYR182A, TYR182B, TYR198A, TYR198B, TYR54A, TYR54B, TYR68A, TYR68B, VAL111A, VAL111B, VAL161A, VAL161B, VAL179A, VAL179B, VAL185A, VAL185B, VAL186A, VAL186B, VAL51A, VAL51B, VAL70A, VAL70B, VAL78A, VAL78B
• A-C: ALA139A, ALA139C, ALA201C, ALA48A, ALA48C, ALA53C, ALA62A, ALA62C, ARG195A, ARG195C, ARG52A, ARG52C, ARG69A, ARG69C, ASN132A, ASP137A, ASP137C, ASP191A, ASP191C, ASP35C, ASP8A, ASP9A, ASP9C, GLU134A, GLU134C, GLU190A, GLU190C, GLY10A, GLY10C, GLY133A, GLY133C, GLY140C, GLY15A, GLY15C, HIS49A, HIS49C, HIS56A, HIS56C, HIS61A, HIS61C, ILE11A, ILE11C, ILE47A, ILE47C, LEU131A, LEU131C, LEU60A, LEU60C, LEU97A, LEU97C, MET193A, MET193C, PHE138A, PHE138C, PHE197A, PHE197C, PHE200C, PRO136A, PRO136C, PRO14A, PRO14C, PRO192A, PRO192C, PRO50A, PRO50C, PRO55A, PRO55C, PRO57A, PRO57C, PRO59A, PRO59C, SER13A, SER13C, SER58A, SER58C, THR36A, THR36C, THR46C, TRP17A, TRP199A, TRP199C, TYR12A, TYR12C, TYR54A, TYR54C, VAL135A, VAL135C, VAL51A, VAL51C
• A-D: ALA201A, ALA201D, ALA48A, ALA48D, ARG195A, ARG195D, ARG203A, ARG203D, ARG52A, ARG52D, ARG71A, ARG71D, ASN132A, ASP191A, ASP191D, GLU190A, GLU190D, GLY133A, GLY189A, GLY189D, HIS49A, HIS49D, ILE187A, ILE187D, ILE47D, MET193A, MET193D, PHE197A, PHE197D, PHE200A, PHE200D, PRO192A, PRO192D, PRO196D, PRO202A, PRO202D, PRO50A, PRO50D, THR46A, THR46D, TRP199A, TRP199D, TYR198A, TYR198D, TYR54A, VAL185A, VAL185D, VAL186A, VAL51A, VAL51D
• B-C: ALA201B, ALA201C, ALA48B, ALA48C, ARG195B, ARG195C, ARG203C, ARG52B, ARG52C, ARG71B, ARG71C, ASN132B, ASN132C, ASP191B, ASP191C, GLU190B, GLU190C, GLY133B, GLY133C, GLY189B, GLY189C, HIS49B, HIS49C, ILE187B, ILE187C, ILE47B, ILE47C, LEU131B, MET193B, MET193C, PHE197B, PHE197C, PHE200B, PHE200C, PRO188C, PRO192B, PRO192C, PRO196B, PRO202C, PRO50B, PRO50C, THR46B, THR46C, TRP199B, TRP199C, TYR198B, TYR198C, TYR54C, VAL185C, VAL186C, VAL51B, VAL51C
• B-D: ALA48B, ALA48D, ARG195B, ARG195D, ARG52B, ARG52D, ASN132B, ASP191B, ASP191D, ASP35B, ASP35D, HIS49B, HIS49D, ILE47B, ILE47D, MET193B, MET193D, PHE197B, PHE197D, PRO14D, PRO192B, PRO192D, PRO196B, PRO50B, PRO50D, SER13D, THR36B, THR36D, THR46B, THR46D, TRP199B, TRP199D, TYR12B, TYR12D
• C-D: ALA112C, ALA112D, ALA113C, ALA113D, ALA124D, ALA181C, ALA181D, ALA201C, ALA201D, ALA224C, ALA224D, ALA44C, ALA44D, ALA48C, ALA48D, ALA53C, ALA53D, ALA75C, ALA75D, ALA79C, ALA79D, ARG154C, ARG154D, ARG157C, ARG157D, ARG176C, ARG176D, ARG180C, ARG180D, ARG195C, ARG195D, ARG203C, ARG203D, ARG228C, ARG228D, ARG236C, ARG236D, ARG52C, ARG52D, ARG71C, ARG71D, ASN162C, ASN162D, ASP191C, ASP191D, ASP213C, ASP213D, ASP230C, ASP230D, ASP233C, ASP233D, ASP76C, ASP76D, CYS77C, CYS77D, GLN116C, GLN116D, GLN177C, GLN177D, GLN238C, GLU104C, GLU104D, GLU156C, GLU156D, GLU183C, GLU183D, GLU190C, GLU190D, GLU234C, GLU234D, GLY102C, GLY102D, GLY109C, GLY109D, GLY117C, GLY117D, GLY121C, GLY121D, GLY184C, GLY184D, GLY189C, GLY189D, GLY194C, GLY194D, GLY211C, GLY211D, GLY72C, GLY72D, GLY81C, GLY81D, HIS103C, HIS103D, HIS107C, HIS107D, HIS43C, HIS43D, HIS49C, HIS49D, HIS83C, HIS83D, ILE105C, ILE105D, ILE187C, ILE187D, ILE45C, ILE45D, ILE47C, ILE47D, LEU119C, LEU119D, LEU122C, LEU122D, LEU152C, LEU152D, LEU155C, LEU155D, LEU160C, LEU160D, LEU173D, LEU205C, LEU205D, LEU227C, LEU227D, LEU229C, LEU229D, LEU231C, LEU231D, LEU237C, LEU237D, LEU80C, LEU80D, LEU82C, LEU82D, LEU84C, LEU84D, LYS115C, LYS115D, MET193C, MET193D, PHE120C, PHE120D, PHE159C, PHE159D, PHE172D, PHE197C, PHE197D, PHE200C, PHE200D, PRO158C, PRO158D, PRO188C, PRO188D, PRO192C, PRO192D, PRO196C, PRO196D, PRO202C, PRO202D, PRO204C, PRO204D, PRO226C, PRO226D, PRO50C, PRO50D, PRO55C, PRO55D, SER108C, SER108D, SER123C, SER123D, SER178C, SER178D, THR175C, THR175D, THR212C, THR212D, THR225C, THR225D, THR232C, THR232D, THR235C, THR235D, THR46C, THR46D, THR73C, THR73D, TRP106C, TRP106D, TRP174C, TRP174D, TRP199C, TRP199D, TYR118C, TYR118D, TYR182C, TYR182D, TYR198C, TYR198D, TYR54C, TYR54D, TYR68C, TYR68D, VAL111C, VAL111D, VAL161C, VAL161D, VAL179C, VAL179D, VAL185C, VAL185D, VAL186C, VAL186D, VAL51C, VAL51D, VAL70C, VAL70D, VAL78C, VAL78D