3E49

crystal structure of a prokaryotic domain of unknown function (duf849) with a tim barrel fold (bxe_c0966) from burkholderia xenovorans lb400 at 1.75 a resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 123
  • Norm. En. per Res.: -5.3051
• 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	-106.7057	-57.9578	-487.869	-652.5326	123	25	2	16450	6	52	57
A-C	0.0	13.4977	-4.7792	8.7185	14	0	0	304	0	13	15
A-D	-37.5337	-91.3668	-213.252	-342.1525	83	3	9	9207	6	22	30
B-C	-31.4562	-87.2996	-207.213	-325.9688	83	3	9	9077	5	22	30
B-D	0.0	16.6271	-4.6832	11.9439	14	0	0	299	0	12	15
C-D	-65.0468	-10.1102	-479.57	-554.727	123	15	3	16208	4	54	56

Interface residues

• A-B: ALA152A, ALA152B, ALA182A, ALA182B, ALA214A, ALA214B, ARG141A, ARG141B, ARG143A, ARG143B, ARG187A, ARG187B, ARG218A, ARG218B, ARG222A, ARG222B, ASN112A, ASN112B, ASN117A, ASN117B, ASN149A, ASN149B, ASN180A, ASN180B, ASP144A, ASP144B, ASP153A, ASP153B, ASP174A, ASP174B, ASP212A, ASP212B, GLU125A, GLU125B, GLU140A, GLU140B, GLU155A, GLU155B, GLU211A, GLU211B, GLY114A, GLY114B, GLY119A, GLY119B, GLY201A, GLY201B, GLY204A, GLY204B, GLY205A, GLY205B, GLY207A, GLY207B, HIS177A, HIS177B, HIS183A, HIS183B, HIS209A, HIS209B, HIS215A, HIS215B, ILE154A, ILE154B, ILE206A, ILE206B, LEU120A, LEU120B, LEU145A, LEU145B, LEU178A, LEU178B, LEU181A, LEU181B, LEU189A, LEU189B, LEU202A, LEU202B, LEU203A, LEU203B, LEU213A, LEU213B, LEU223A, LEU223B, LYS148A, LYS148B, PHE118A, PHE118B, PHE147A, PHE147B, PHE151A, PHE151B, PHE156A, PHE156B, PHE184A, PHE184B, PHE200A, PHE200B, PRO122A, PRO122B, PRO208A, PRO208B, PRO210A, PRO210B, SER115A, SER115B, SER142A, SER142B, SER176A, SER176B, THR150A, THR150B, THR175A, THR175B, THR219A, THR219B, TYR121A, TYR121B, TYR173A, TYR173B, TYR179A, TYR179B, VAL146A, VAL146B, VAL94A
• A-C: ALA214A, ALA214C, ARG217A, ARG217C, ARG218A, ARG218C, ARG222A, ARG222C, ASP221A, ASP221C, GLU211A, GLU211C, HIS215A, HIS215C
• A-D: ALA214A, ALA214D, ALA243A, ALA243D, ALA247A, ALA247D, ALA248A, ALA248D, ALA264A, ALA264D, ARG217A, ARG217D, ARG218A, ARG218D, ARG237A, ARG237D, ARG277A, ARG277D, ARG280A, ARG280D, ARG5A, ASP221A, ASP221D, GLN239A, GLN239D, GLN249A, GLN249D, GLN281A, GLN281D, GLU211A, GLU211D, GLU267D, GLU284A, GLU284D, GLU289A, GLY246A, GLY246D, GLY250A, GLY250D, GLY285A, GLY285D, HIS209A, HIS209D, HIS215A, HIS215D, HIS238A, HIS238D, ILE240A, ILE240D, ILE245A, ILE245D, ILE263A, ILE263D, ILE279A, ILE279D, ILE283A, ILE283D, LEU213A, LEU213D, LEU242A, LEU242D, LEU286A, LEU286D, LEU288A, LEU288D, LYS278A, LYS278D, PRO210A, PRO210D, PRO241A, PRO241D, PRO265A, PRO265D, SER244A, SER244D, SER287A, SER287D, THR219A, THR219D, TRP230A, TRP230D, VAL282A, VAL282D
• B-C: ALA214B, ALA214C, ALA243B, ALA243C, ALA247B, ALA247C, ALA248B, ALA248C, ALA264B, ALA264C, ARG217B, ARG217C, ARG218B, ARG218C, ARG277B, ARG277C, ARG280B, ARG280C, ARG5B, ARG5C, ASP221B, ASP221C, GLN239B, GLN239C, GLN249B, GLN249C, GLN281B, GLN281C, GLU211B, GLU211C, GLU267B, GLU267C, GLU284B, GLU284C, GLU289C, GLY246B, GLY246C, GLY250B, GLY250C, GLY285B, GLY285C, HIS209B, HIS209C, HIS215B, HIS215C, HIS238B, HIS238C, ILE240B, ILE240C, ILE245B, ILE245C, ILE263B, ILE263C, ILE279B, ILE279C, ILE283B, ILE283C, LEU213B, LEU213C, LEU242B, LEU242C, LEU286B, LEU286C, LEU288B, LEU288C, LYS278B, LYS278C, PRO210B, PRO210C, PRO241B, PRO241C, PRO265B, PRO265C, SER244B, SER244C, SER287B, SER287C, THR219B, THR219C, TRP230B, TRP230C, VAL282B, VAL282C
• B-D: ALA214B, ALA214D, ARG217B, ARG217D, ARG218B, ARG218D, ARG222B, ARG222D, ASP221B, ASP221D, GLU211B, GLU211D, HIS215B, HIS215D
• C-D: ALA152C, ALA152D, ALA182C, ALA182D, ALA214C, ALA214D, ARG141C, ARG141D, ARG143C, ARG143D, ARG187C, ARG187D, ARG218C, ARG218D, ARG222C, ARG222D, ASN112C, ASN112D, ASN117C, ASN117D, ASN149C, ASN149D, ASN180C, ASN180D, ASP144C, ASP144D, ASP153C, ASP153D, ASP174C, ASP174D, ASP212C, ASP212D, GLU125C, GLU125D, GLU140C, GLU140D, GLU155C, GLU155D, GLU211C, GLU211D, GLY114C, GLY114D, GLY119C, GLY119D, GLY201C, GLY201D, GLY204C, GLY204D, GLY205C, GLY205D, GLY207C, GLY207D, HIS177C, HIS177D, HIS183C, HIS183D, HIS209C, HIS209D, HIS215C, HIS215D, ILE154C, ILE154D, ILE206C, ILE206D, LEU120C, LEU120D, LEU145C, LEU145D, LEU178C, LEU178D, LEU181C, LEU181D, LEU189C, LEU189D, LEU202C, LEU202D, LEU203C, LEU203D, LEU213C, LEU213D, LEU223C, LEU223D, LYS148C, LYS148D, PHE118C, PHE118D, PHE147C, PHE147D, PHE151C, PHE151D, PHE156C, PHE156D, PHE184C, PHE184D, PHE200C, PHE200D, PRO122C, PRO122D, PRO208C, PRO208D, PRO210C, PRO210D, SER115C, SER115D, SER142C, SER142D, SER176C, SER176D, THR150C, THR150D, THR175C, THR175D, THR219C, THR219D, TYR121C, TYR121D, TYR173C, TYR173D, TYR179C, TYR179D, VAL146C, VAL146D, VAL94C