3SHO

crystal structure of rpir transcription factor from sphaerobacter thermophilus (sugar isomerase domain)

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 114
  • Norm. En. per Res.: -3.6488
• 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	-4.1749	-6.887	-415.746	-426.8078	175	7	35	18741	0	19	19
A-C	-5.8201	16.2287	-40.0837	-29.675	33	2	0	1595	0	4	5
A-D	-67.1308	-92.2559	-256.573	-415.9597	114	8	9	10234	17	25	29
B-C	-58.6487	-72.468	-281.632	-412.7487	116	13	11	10884	18	22	27
B-D	-5.5486	13.7068	-40.0585	-31.9003	32	1	0	1676	0	4	5
C-D	-10.0138	-56.3429	-452.451	-518.8077	189	5	37	20454	2	31	25

Interface residues

• A-B: ALA146A, ALA146B, ALA147A, ALA147B, ALA149A, ALA149B, ALA233A, ALA233B, ALA234A, ALA234B, ALA249A, ALA249B, ALA256A, ALA256B, ALA259A, ALA259B, ALA266A, ALA266B, ARG193A, ARG193B, ARG196B, ARG236A, ARG236B, ARG261A, ARG261B, ARG97A, ASN107A, ASN107B, ASN111A, ASN111B, ASN113A, ASN113B, ASN117A, ASN117B, ASN252A, ASN252B, ASP108A, ASP108B, ASP274A, ASP274B, ASP96A, GLN103A, GLN103B, GLN114A, GLN114B, GLN118A, GLN118B, GLN120A, GLN120B, GLN98A, GLN98B, GLN99A, GLN99B, GLU110A, GLU110B, GLU125A, GLU125B, GLU129B, GLU257A, GLU257B, GLU262B, GLY141A, GLY141B, GLY143A, GLY143B, GLY153A, GLY153B, GLY155A, GLY155B, GLY237A, GLY237B, GLY239A, GLY239B, GLY246A, GLY246B, HIS154A, HIS154B, HIS240A, HIS240B, ILE109A, ILE109B, ILE124A, ILE124B, ILE248A, ILE248B, ILE258A, ILE258B, LEU100A, LEU100B, LEU112A, LEU112B, LEU116A, LEU116B, LEU152A, LEU152B, LEU159A, LEU159B, LEU195A, LEU195B, LEU231A, LEU231B, LEU242A, LEU242B, LEU247A, LEU247B, LEU253A, LEU253B, LEU254A, LEU254B, LEU255A, LEU255B, LEU267A, LEU267B, LEU270A, LEU270B, PHE105A, PHE105B, PHE144A, PHE144B, PHE151A, PHE151B, PRO101A, PRO101B, PRO121A, PRO121B, PRO244A, PRO244B, PRO263A, PRO263B, SER145A, SER145B, SER158A, SER158B, SER241A, SER241B, SER243A, SER243B, THR106A, THR106B, THR115A, THR115B, THR119A, THR119B, THR167A, THR167B, THR235A, THR235B, TRP192A, TYR277A, VAL102A, VAL102B, VAL104A, VAL104B, VAL128A, VAL128B, VAL148A, VAL148B, VAL150A, VAL150B, VAL165A, VAL165B, VAL232A, VAL232B, VAL238A, VAL238B, VAL245A, VAL245B, VAL250A, VAL250B, VAL251A, VAL251B, VAL260A, VAL260B, VAL273A, VAL273B
• A-C: ALA146A, ALA146C, ARG196A, ARG196C, ASP197A, ASP197C, GLU168A, GLU168C, GLY143A, GLY143C, GLY169A, GLY169C, GLY170A, GLY170C, ILE175A, ILE175C, LEU166A, LEU166C, LEU173A, LEU173C, LEU195A, LEU195C, PHE144A, PHE144C, SER145C, SER171A, SER171C, THR167A, THR167C, THR172A, THR172C, THR174A, THR174C
• A-D: ALA134A, ALA134D, ALA178A, ALA178D, ALA200D, ALA201D, ALA203D, ALA205D, ALA206D, ALA266A, ALA268A, ALA268D, ARG162A, ARG162D, ARG181A, ARG181D, ARG196D, ARG208A, ARG208D, ARG265A, ARG265D, ARG271A, ARG271D, ARG275A, ARG275D, ARG278A, ASN157A, ASN157D, ASN179A, ASN179D, ASP135A, ASP135D, ASP184A, ASP184D, ASP197D, ASP274A, ASP274D, GLN280A, GLU207A, GLU207D, GLU272A, GLU272D, GLU279A, GLY153A, GLY153D, GLY155A, GLY155D, GLY160A, GLY160D, GLY170A, GLY204A, GLY204D, GLY281A, HIS136A, HIS136D, HIS154A, HIS154D, ILE138A, ILE138D, ILE161A, ILE161D, ILE175A, ILE175D, ILE226D, LEU156A, LEU156D, LEU159A, LEU159D, LEU166A, LEU166D, LEU173A, LEU173D, LEU177A, LEU177D, LEU180A, LEU180D, LEU185A, LEU185D, LEU202D, LEU270A, LEU270D, LEU276A, LEU276D, PRO182A, PRO182D, SER158A, SER158D, SER171A, SER171D, THR163A, THR163D, THR164A, THR164D, THR172A, THR172D, THR174A, THR174D, THR176A, THR176D, THR183A, THR183D, TYR277A, VAL137A, VAL137D, VAL150A, VAL165A, VAL165D, VAL199D, VAL210A, VAL210D, VAL269A, VAL269D, VAL273A, VAL273D
• B-C: ALA134B, ALA134C, ALA178B, ALA178C, ALA200B, ALA200C, ALA201B, ALA201C, ALA203B, ALA203C, ALA205B, ALA205C, ALA268B, ALA268C, ARG162B, ARG162C, ARG181B, ARG181C, ARG196B, ARG208B, ARG208C, ARG265B, ARG265C, ARG271B, ARG271C, ARG275B, ARG275C, ARG278C, ASN157B, ASN157C, ASN179B, ASN179C, ASP135B, ASP135C, ASP184B, ASP184C, ASP197B, ASP274B, ASP274C, GLN280C, GLU207B, GLU207C, GLU272B, GLU272C, GLU279C, GLY153B, GLY153C, GLY155B, GLY155C, GLY160B, GLY160C, GLY169B, GLY170B, GLY170C, GLY204B, GLY204C, HIS136B, HIS136C, HIS154B, HIS154C, ILE138B, ILE138C, ILE161B, ILE161C, ILE175B, ILE175C, LEU156B, LEU156C, LEU159B, LEU159C, LEU166C, LEU173B, LEU173C, LEU177B, LEU177C, LEU180B, LEU180C, LEU185B, LEU185C, LEU195B, LEU270B, LEU270C, LEU276B, LEU276C, PRO182B, PRO182C, SER158B, SER158C, SER171B, SER171C, THR163B, THR163C, THR164B, THR164C, THR172B, THR172C, THR174B, THR174C, THR176B, THR176C, THR183B, THR183C, THR198B, TYR277C, VAL137B, VAL137C, VAL150B, VAL165B, VAL165C, VAL199B, VAL210B, VAL210C, VAL269B, VAL269C, VAL273B, VAL273C
• B-D: ALA146B, ALA146D, ASP197B, ASP197D, GLU168B, GLU168D, GLY143B, GLY143D, GLY169B, GLY169D, GLY170B, GLY170D, ILE175B, ILE175D, LEU166B, LEU166D, LEU173B, LEU173D, LEU195B, LEU195D, PHE144B, PHE144D, SER145B, SER145D, SER171B, SER171D, THR167B, THR167D, THR172B, THR172D, THR174B, THR174D
• C-D: ALA146C, ALA146D, ALA147C, ALA147D, ALA149C, ALA149D, ALA233C, ALA233D, ALA234C, ALA234D, ALA249C, ALA249D, ALA256C, ALA256D, ALA259C, ALA259D, ALA266C, ALA266D, ARG193C, ARG193D, ARG196C, ARG196D, ARG236C, ARG236D, ARG261C, ARG261D, ARG271D, ARG275D, ARG278C, ARG97C, ARG97D, ASN107C, ASN107D, ASN111C, ASN111D, ASN113C, ASN113D, ASN117C, ASN117D, ASN252C, ASN252D, ASP108C, ASP108D, ASP274C, ASP274D, ASP96C, GLN103C, GLN103D, GLN114C, GLN114D, GLN118C, GLN118D, GLN120C, GLN120D, GLN280C, GLN98C, GLN98D, GLN99C, GLN99D, GLU110C, GLU110D, GLU122C, GLU125C, GLU125D, GLU129D, GLU168D, GLU257C, GLU257D, GLU262C, GLU262D, GLU272D, GLY141C, GLY141D, GLY143C, GLY143D, GLY153C, GLY153D, GLY155C, GLY155D, GLY237C, GLY237D, GLY239C, GLY239D, GLY246C, GLY246D, HIS154C, HIS154D, HIS240C, HIS240D, ILE109C, ILE109D, ILE124C, ILE124D, ILE248C, ILE248D, ILE258C, ILE258D, LEU100C, LEU100D, LEU112C, LEU112D, LEU116C, LEU116D, LEU152C, LEU152D, LEU156C, LEU156D, LEU159C, LEU159D, LEU195C, LEU195D, LEU231D, LEU242C, LEU242D, LEU247C, LEU247D, LEU253C, LEU253D, LEU254C, LEU254D, LEU255C, LEU255D, LEU267C, LEU267D, LEU270C, LEU270D, LEU276D, PHE105C, PHE105D, PHE144C, PHE144D, PHE151C, PHE151D, PRO101C, PRO101D, PRO121C, PRO121D, PRO244C, PRO244D, PRO263C, PRO263D, SER145C, SER145D, SER158C, SER158D, SER241C, SER241D, SER243C, SER243D, THR106C, THR106D, THR115C, THR115D, THR119C, THR119D, THR167C, THR167D, THR235D, TRP192C, TRP192D, TYR194C, TYR277C, VAL102C, VAL102D, VAL104C, VAL104D, VAL128C, VAL128D, VAL148C, VAL148D, VAL150C, VAL150D, VAL165C, VAL165D, VAL232C, VAL232D, VAL238C, VAL238D, VAL245C, VAL245D, VAL250C, VAL250D, VAL251C, VAL251D, VAL260C, VAL260D, VAL269D, VAL273C, VAL273D