2Q04

crystal structure of acetoin utilization protein (zp_00540088.1) from exiguobacterium sibiricum 255-15 at 2.33 a resolution

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 70
  • Norm. En. per Res.: -4.0886
• 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	-41.1817	-51.2342	-193.789	-286.2049	70	11	1	6698	7	37	26
A-C	-4.0224	-7.6978	-93.2237	-104.9439	51	0	3	4024	2	16	18
A-D	0.0	1.1865	-62.4676	-61.2811	46	5	0	2975	0	15	17
A-E	-13.8225	-2.4308	-76.8205	-93.0738	27	1	3	2245	0	11	13
B-D	0.0	4.4909	-10.6796	-6.1887	16	1	1	698	0	6	9
B-E	0.0	0.0	-28.3315	-28.3315	29	0	0	1381	0	7	10
B-F	-29.7095	-18.5025	-80.6651	-128.8771	56	7	3	4695	2	15	17
C-D	-11.4215	-5.3383	-144.236	-160.9958	54	7	4	5400	0	15	20
C-E	-14.8783	7.1942	-176.031	-183.7152	58	4	3	5399	0	26	22
D-E	0.0	7.3002	-11.2176	-3.9175	21	0	0	619	0	8	10
D-F	-37.7485	-3.5302	-152.199	-193.4777	58	6	2	4896	0	23	20
E-F	-13.4497	0.0	-134.093	-147.5427	51	3	4	4918	0	16	19

Interface residues

• A-B: ALA175B, ALA191A, ALA196A, ALA196B, ALA200A, ALA200B, ARG204A, ARG204B, ARG205A, ARG205B, ARG206A, ARG206B, ASN180B, ASN90A, ASN90B, ASN91A, ASN91B, ASP170B, ASP171A, ASP171B, ASP199B, ASP210A, ASP81A, ASP81B, GLU173A, GLU173B, GLU193A, GLU84A, GLU84B, GLU88A, GLU88B, GLY89A, GLY89B, HIS138B, HIS177B, HIS197A, HIS197B, ILE174B, ILE94A, LEU201A, LEU201B, LEU203B, PHE198A, PHE207A, PHE207B, PRO172A, PRO172B, PRO192A, PRO80A, PRO80B, PRO82A, PRO82B, PRO92A, SER176B, SER87A, SER87B, THR85A, THR85B, TRP137B, TRP86A, TRP86B, TYR135B, TYR136B, TYR79A, TYR79B, TYR83A, TYR83B, TYR93A, VAL194A, VAL195A
• A-C: ALA175A, ALA175C, ALA179A, ALA179C, ALA184A, ARG152A, ARG152C, ARG202A, ASN160A, ASN180A, ASN180C, ASP140C, ASP150A, ASP150C, ASP170A, CYS181A, GLU156A, GLY143C, GLY145C, GLY163A, HIS138C, HIS177A, HIS177C, ILE174A, ILE186A, LEU141C, LEU146C, LEU164A, LEU182A, LEU203A, LYS142C, LYS153A, LYS153C, LYS157A, PHE166A, PHE167A, PRO168A, PRO178A, PRO178C, SER144C, SER147C, SER176C, THR169A, TRP137C, TRP139C, TRP149A, TRP149C, TYR136C, TYR151C, VAL148C, VAL165A
• A-D: ALA175A, ALA175D, ALA179A, ALA179D, ARG152D, ARG202D, ARG205D, ASN160D, ASN180A, ASN180D, ASP150A, ASP170D, CYS181D, GLU156D, GLU173A, GLY145A, HIS177A, HIS177D, ILE174A, ILE174D, LEU141A, LEU146A, LEU182D, LEU203D, LYS153A, LYS153D, LYS157D, PHE166D, PHE167D, PRO168D, PRO172A, PRO178A, PRO178D, SER147A, SER176A, THR169D, TRP137A, TRP149A, TRP149D, TYR135A, TYR136A, TYR209D, TYR83A, VAL148A, VAL148D, VAL165D
• A-E: ALA175E, ALA200A, ALA200E, ARG202A, ARG202E, ARG204A, ARG204E, ARG205A, ARG205E, ARG206A, ARG206E, ASP170A, ASP170E, ASP171A, ASP171E, ASP199A, ASP199E, ASP210A, LEU203A, LEU203E, PHE207A, PHE207E, PRO168E, THR169A, THR169E, TYR209A, TYR209E
• B-D: ARG202B, ARG204B, ARG204D, ARG205B, ARG205D, ARG206B, ARG206D, ASP170B, ASP170D, LEU203B, LEU203D, PHE207B, PHE207D, PRO168B, THR169B, TYR209D
• B-E: ALA175B, ALA179B, ALA179E, ARG152E, ARG202E, ASN160E, ASP150B, ASP150E, CYS181E, GLU156E, HIS177B, HIS177E, LEU141B, LYS153B, LYS153E, LYS157E, PHE166E, PHE167E, PRO168E, PRO178B, PRO178E, SER147B, SER176B, THR169E, TRP137B, TRP149B, TRP149E, TYR136B, VAL148B
• B-F: ALA175B, ALA175F, ALA179B, ALA179F, ALA184B, ARG152B, ARG152F, ARG185B, ARG202B, ASN160B, ASN180B, ASN180F, ASP140F, ASP150F, ASP170B, CYS181B, GLU156B, GLY143F, GLY145F, GLY163B, HIS138F, HIS161B, HIS177B, HIS177F, ILE154F, ILE174B, ILE186B, LEU141F, LEU146F, LEU164B, LEU182B, LEU203B, LYS142F, LYS153B, LYS153F, LYS157B, PHE166B, PHE167B, PHE198B, PRO168B, PRO178B, PRO178F, SER144F, SER147F, SER176F, THR169B, TRP137F, TRP139F, TRP149B, TRP149F, TYR135F, TYR136F, TYR151F, VAL148F, VAL165B, VAL195B
• C-D: ALA175C, ALA179C, ALA179D, ALA200C, ARG152C, ARG152D, ARG202C, ARG204C, ARG205C, ARG206C, ASN180C, ASN180D, ASP140D, ASP150D, ASP170C, ASP171C, ASP199C, CYS181C, GLU173C, GLU173D, GLY143D, GLY145D, HIS138D, HIS177C, HIS177D, ILE174C, LEU141D, LEU146D, LEU182C, LEU203C, LYS142D, LYS153D, PHE166C, PHE167C, PHE207C, PRO168C, PRO172C, PRO178C, PRO178D, SER144D, SER147D, SER176C, SER176D, THR169C, TRP137D, TRP139D, TRP149C, TRP149D, TYR135D, TYR136C, TYR136D, TYR151D, TYR209C, VAL148D
• C-E: ALA196E, ALA200E, ARG204C, ARG204E, ARG205C, ARG205E, ARG206C, ASN180C, ASN90C, ASN90E, ASN91E, ASP171C, ASP171E, ASP199E, ASP81C, ASP81E, GLU173C, GLU173E, GLU193E, GLU84C, GLU84E, GLU88C, GLU88E, GLY89C, GLY89E, HIS138C, HIS197C, HIS197E, ILE174C, ILE94E, LEU201C, LEU201E, LEU203C, PHE198E, PHE207C, PHE207E, PRO172C, PRO172E, PRO192E, PRO80E, PRO82C, PRO82E, SER176C, SER87C, SER87E, THR85C, THR85E, TRP137C, TRP86C, TRP86E, TYR135C, TYR136C, TYR209C, TYR209E, TYR83C, TYR83E, VAL194E, VAL195E
• D-E: ALA175D, ALA175E, ARG205E, ASN180D, ASN180E, ASP170D, ASP171D, ASP171E, GLU173D, GLU173E, HIS177D, HIS177E, ILE174E, PHE207D, PRO172D, PRO172E, PRO178D, SER176D, SER176E, TRP137D, TRP137E
• D-F: ALA191D, ALA196D, ALA200D, ALA200F, ARG204D, ARG204F, ARG205D, ARG205F, ARG206D, ARG206F, ASN180F, ASN90D, ASN90F, ASN91D, ASP171D, ASP171F, ASP199D, ASP81D, ASP81F, GLU173D, GLU173F, GLU193D, GLU84D, GLU84F, GLU88D, GLU88F, GLY89D, GLY89F, HIS197D, HIS197F, ILE94D, LEU201D, LEU201F, LEU203F, PHE198D, PHE207D, PHE207F, PRO172D, PRO172F, PRO192D, PRO80D, PRO82D, PRO82F, PRO92D, SER176F, SER87D, SER87F, THR85D, THR85F, TRP137F, TRP86D, TRP86F, TYR135F, TYR209D, TYR83D, TYR83F, VAL194D, VAL195D
• E-F: ALA175F, ALA179E, ALA179F, ALA200F, ARG152E, ARG152F, ARG202F, ARG204F, ARG205F, ARG206F, ASN180E, ASN180F, ASP140E, ASP150E, ASP170F, ASP171F, ASP199F, CYS181F, GLU173E, GLU173F, GLY143E, GLY145E, HIS138E, HIS177E, HIS177F, ILE174F, LEU141E, LEU146E, LEU182F, LEU203F, LYS142E, LYS153E, PHE166F, PHE167F, PHE207F, PRO168F, PRO172F, PRO178E, PRO178F, SER144E, SER147E, SER176E, SER176F, THR169F, TRP137E, TRP139E, TRP149E, TYR135E, TYR136E, TYR151E, VAL148E