3I4F

structure of putative 3-oxoacyl-reductase from bacillus thuringiensis

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 146
  • Norm. En. per Res.: -5.6688
• 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	0.0	-12.06	156.345	144.285	29	12	0	772	1	6	3
A-C	-60.1343	-152.1928	-318.342	-530.6691	133	20	11	12536	14	37	35
A-D	-181.7417	-90.1041	-555.8	-827.6458	146	33	25	22185	7	56	28
B-C	-166.5959	-69.5481	-526.78	-762.9239	150	42	24	21882	5	53	29
B-D	-53.8284	-160.5569	-334.848	-549.2333	138	14	13	13026	14	36	35
C-D	0.0	-7.663	-21.502	-29.165	25	0	0	633	0	6	3

Interface residues

• A-B: ALA183A, ALA183B, ALA281A, ALA281B, ARG238A, ARG249A, ASP181A, ASP181B, ASP283A, ASP283B, GLN178A, GLN178B, GLN235A, GLN239A, GLY179A, GLY179B, HIS1B, HIS286A, HIS286B, ILE187A, ILE187B, ILE234A, ILE285A, ILE285B, PRO184A, PRO184B, SER182A, SER182B, VAL284A
• A-C: ALA207A, ALA207C, ALA211A, ALA211C, ALA217A, ALA217C, ALA237A, ALA237C, ALA257A, ALA257C, ALA281A, ALA281C, ARG171A, ARG171C, ARG238A, ARG238C, ARG249A, ARG249C, ARG258A, ARG258C, ARG39A, ARG39C, ASN218A, ASN218C, ASP181A, ASP181C, ASP224C, ASP255A, ASP255C, ASP266A, ASP266C, ASP267A, ASP267C, ASP269A, ASP269C, ASP283A, ASP283C, CYS221A, CYS221C, CYS264A, CYS264C, GLN178A, GLN178C, GLN235A, GLN235C, GLU209A, GLU209C, GLU210A, GLU210C, GLU212A, GLU212C, GLU254A, GLU254C, GLU265A, GLU265C, GLU277A, GLU277C, GLY179A, GLY179C, GLY214A, GLY214C, GLY223A, GLY223C, GLY251A, GLY251C, GLY273A, GLY273C, GLY280A, GLY280C, HIS286A, ILE215A, ILE215C, ILE225A, ILE225C, ILE234A, ILE234C, ILE256A, ILE256C, ILE260A, ILE260C, ILE271A, ILE271C, ILE275A, ILE275C, ILE276A, ILE276C, LEU263A, LEU263C, LYS204A, LYS204C, LYS57A, LYS57C, LYS61A, MET270A, MET270C, PHE169A, PHE169C, PHE262A, PHE262C, PRO222A, PRO222C, SER182A, SER182C, SER250A, SER250C, SER261A, SER261C, SER268A, SER268C, THR205A, THR205C, THR216A, THR216C, THR252A, THR252C, THR259A, THR259C, THR272A, THR272C, THR274A, THR274C, THR279A, THR279C, TYR208A, TYR208C, VAL206A, VAL206C, VAL220A, VAL220C, VAL278A, VAL278C, VAL282A, VAL282C
• A-D: ALA152A, ALA152D, ALA180A, ALA180D, ALA183A, ALA183D, ALA191A, ALA191D, ALA193A, ALA193D, ALA194A, ALA194D, ALA195A, ALA195D, ALA207A, ALA207D, ALA211A, ALA211D, ARG165A, ARG165D, ARG189A, ARG189D, ASN143A, ASN143D, ASN149A, ASN149D, ASN174A, ASP136A, ASP136D, ASP140A, ASP140D, ASP181A, ASP181D, GLN147A, GLN147D, GLU138A, GLU138D, GLU139A, GLU139D, GLU141A, GLU141D, GLU209A, GLU209D, GLU210A, GLU210D, GLU212A, GLU212D, GLY185A, GLY185D, GLY198A, GLY198D, GLY273A, HIS155A, HIS155D, HIS286A, HIS286D, ILE146A, ILE146D, ILE172A, ILE172D, ILE187A, ILE187D, ILE215A, ILE215D, ILE275A, ILE275D, ILE285A, ILE285D, LEU134A, LEU134D, LEU150A, LEU150D, LEU156A, LEU156D, LEU157A, LEU157D, LEU159A, LEU159D, LEU199A, LEU199D, LEU202A, LEU202D, LYS100A, LYS100D, LYS132A, LYS132D, LYS133A, LYS133D, LYS158A, LYS158D, LYS196A, LYS196D, LYS204A, LYS204D, MET164A, MET164D, PHE154A, PHE154D, PHE177A, PHE177D, PHE192A, PHE192D, PRO162A, PRO162D, PRO184A, PRO184D, SER182A, SER182D, SER190A, SER190D, SER201A, SER201D, THR151A, THR151D, THR203A, THR203D, THR205A, THR205D, TRP142A, TRP142D, TRP186A, TRP186D, TYR137A, TYR137D, TYR188A, TYR188D, TYR208A, TYR208D, TYR213A, TYR213D, VAL135A, VAL135D, VAL153A, VAL153D, VAL160A, VAL160D, VAL161A, VAL161D, VAL163A, VAL163D, VAL197A, VAL197D, VAL200A, VAL200D, VAL206A, VAL206D
• B-C: ALA152B, ALA152C, ALA180B, ALA180C, ALA183B, ALA183C, ALA191B, ALA191C, ALA193B, ALA193C, ALA194B, ALA194C, ALA195B, ALA195C, ALA207B, ALA207C, ALA211B, ALA211C, ARG165B, ARG165C, ARG189B, ARG189C, ASN143B, ASN143C, ASN149B, ASN149C, ASP136B, ASP136C, ASP140B, ASP140C, ASP181B, ASP181C, ASP266C, ASP267C, ASP269C, GLN147B, GLN147C, GLU101B, GLU138B, GLU138C, GLU139B, GLU139C, GLU141B, GLU141C, GLU209B, GLU209C, GLU210B, GLU210C, GLU212B, GLU212C, GLY185B, GLY185C, GLY198B, GLY198C, GLY273B, GLY273C, HIS155B, HIS155C, HIS1B, HIS286B, HIS286C, ILE146B, ILE146C, ILE172B, ILE172C, ILE187B, ILE187C, ILE215B, ILE215C, ILE275B, ILE275C, ILE285B, ILE285C, LEU134B, LEU134C, LEU150B, LEU150C, LEU156B, LEU156C, LEU157B, LEU157C, LEU159B, LEU159C, LEU199B, LEU199C, LEU202B, LEU202C, LYS100B, LYS100C, LYS132B, LYS132C, LYS133B, LYS133C, LYS158B, LYS158C, LYS196B, LYS196C, LYS204B, LYS204C, MET219B, PHE154B, PHE154C, PHE177B, PHE177C, PHE192B, PHE192C, PRO162B, PRO162C, PRO184B, PRO184C, SER182B, SER182C, SER190B, SER190C, SER201B, SER201C, THR151B, THR151C, THR203B, THR203C, THR205B, THR205C, TRP142B, TRP142C, TRP186B, TRP186C, TYR137B, TYR137C, TYR188B, TYR188C, TYR208B, TYR208C, TYR213B, TYR213C, VAL135B, VAL135C, VAL153B, VAL153C, VAL160B, VAL160C, VAL161B, VAL161C, VAL163B, VAL163C, VAL197B, VAL197C, VAL200B, VAL200C, VAL206B, VAL206C
• B-D: ALA207B, ALA207D, ALA211B, ALA211D, ALA217B, ALA217D, ALA237B, ALA237D, ALA257B, ALA257D, ALA281B, ALA281D, ARG171B, ARG171D, ARG238B, ARG238D, ARG249B, ARG249D, ARG258B, ARG258D, ARG39B, ARG39D, ASN218B, ASN218D, ASP181B, ASP181D, ASP224B, ASP224D, ASP255B, ASP255D, ASP266B, ASP266D, ASP267B, ASP267D, ASP269B, ASP269D, ASP283B, ASP283D, CYS221B, CYS221D, CYS264B, CYS264D, GLN178B, GLN178D, GLN235B, GLN235D, GLU209B, GLU209D, GLU210B, GLU210D, GLU212B, GLU212D, GLU254B, GLU254D, GLU265B, GLU265D, GLU277B, GLU277D, GLY179B, GLY179D, GLY214B, GLY214D, GLY223B, GLY223D, GLY248D, GLY251B, GLY251D, GLY273B, GLY273D, GLY280B, GLY280D, ILE215B, ILE215D, ILE225B, ILE225D, ILE234B, ILE234D, ILE247D, ILE256B, ILE256D, ILE260B, ILE260D, ILE271B, ILE271D, ILE275B, ILE275D, ILE276B, ILE276D, LEU263B, LEU263D, LYS204B, LYS204D, LYS57B, LYS57D, LYS61B, MET229D, MET270B, MET270D, PHE169B, PHE169D, PHE262B, PHE262D, PRO222B, PRO222D, SER182B, SER182D, SER250B, SER250D, SER261B, SER261D, SER268B, SER268D, THR205B, THR205D, THR216B, THR216D, THR233D, THR252B, THR252D, THR259B, THR259D, THR272B, THR272D, THR274B, THR274D, THR279B, THR279D, TYR208B, TYR208D, TYR213B, VAL206B, VAL206D, VAL220B, VAL220D, VAL278B, VAL278D, VAL282B, VAL282D
• C-D: ALA183C, ALA183D, ALA281C, ALA281D, ASP181C, ASP181D, ASP283C, ASP283D, GLN178C, GLN178D, GLY179C, GLY179D, HIS286C, HIS286D, ILE187C, ILE187D, ILE247D, ILE285C, ILE285D, PRO184C, PRO184D, SER182C, SER182D, VAL284C, VAL284D