1YKF

nadp-dependent alcohol dehydrogenase from thermoanaerobium brockii

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 153
  • Norm. En. per Res.: -5.0789
• 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	-171.6265	-26.2481	-575.282	-773.1566	166	28	7	20935	0	34	41
A-C	-44.2213	-91.959	-157.255	-293.4353	69	6	0	6649	2	28	36
A-D	-33.2993	-41.1636	-278.426	-352.8888	112	13	6	12000	6	48	56
B-C	-38.4548	-41.78	-292.612	-372.8468	116	14	6	12278	5	48	56
B-D	-47.8237	-97.1063	-166.07	-311.0	69	8	0	6831	2	31	37
C-D	-182.1207	-27.6151	-567.336	-777.0719	153	27	7	20678	0	34	38

Interface residues

• A-B: ALA108A, ALA108B, ALA168A, ALA168B, ALA238A, ALA238B, ALA246A, ALA246B, ALA250A, ALA250B, ALA263A, ALA263B, ALA286A, ALA286B, ALA48A, ALA48B, ARG278A, ARG278B, ARG97A, ARG97B, ASN264A, ASN264B, ASN266A, ASN266B, ASP163A, ASP163B, ASP237A, ASP237B, ASP247A, ASP247B, CYS283A, CYS283B, CYS295A, CYS295B, GLN101A, GLN101B, GLU160A, GLU160B, GLU165A, GLU165B, GLU270A, GLU270B, GLU272A, GLU272B, GLU280A, GLU280B, GLU46A, GLU46B, GLU94A, GLU94B, GLY104A, GLY104B, GLY105A, GLY105B, GLY259A, GLY259B, GLY260A, GLY260B, GLY269A, GLY269B, GLY271A, GLY271B, GLY282A, GLY282B, GLY284A, GLY284B, GLY292A, GLY292B, GLY293A, GLY293B, GLY47A, GLY47B, GLY50A, GLY50B, GLY98A, GLY98B, HIS100A, HIS100B, HIS102A, HIS102B, HIS157A, HIS157B, HIS287A, HIS287B, HIS42A, HIS42B, ILE241A, ILE241B, ILE262A, ILE262B, ILE290A, ILE290B, ILE49A, ILE49B, ILE86A, ILE86B, LEU107A, LEU107B, LEU161A, LEU161B, LEU274A, LEU274B, LEU279A, LEU279B, LEU294A, LEU294B, LYS234A, LYS234B, LYS254A, LYS254B, LYS257A, LYS257B, LYS288A, LYS288B, LYS291A, LYS291B, MET106A, MET106B, MET249A, MET249B, MET285A, MET285B, PHE268A, PHE268B, PRO258A, PRO258B, PRO275A, PRO275B, PRO277A, PRO277B, PRO296A, PRO296B, SER103A, SER103B, SER39A, SER39B, SER93A, SER93B, THR154A, THR154B, THR261A, THR261B, THR289A, THR289B, TRP110A, TRP110B, TRP281A, TRP281B, TYR267A, TYR267B, TYR99A, TYR99B, VAL178A, VAL178B, VAL236A, VAL236B, VAL253A, VAL253B, VAL256A, VAL256B, VAL265A, VAL265B, VAL273A, VAL273B, VAL276A, VAL276B
• A-C: ALA129A, ALA129C, ARG299A, ARG299C, ARG301A, ARG301C, ARG304A, ARG304C, ARG91A, ARG91C, ARG97A, ARG97C, ASN127A, ASN127C, ASN132A, ASN132C, ASP128A, ASP128C, ASP130A, ASP130C, ASP26A, ASP26C, ASP89A, ASP89C, GLN96A, GLN96C, GLU303A, GLU303C, GLU71A, GLU71C, GLU94A, GLU94C, GLY297A, GLY297C, GLY298A, GLY298C, GLY98A, GLY98C, HIS100A, HIS100C, LEU133A, LEU133C, LEU300A, LEU300C, LYS73A, LYS73C, MET131A, MET131C, MET302A, MET302C, PHE25A, PHE25C, PRO24A, PRO24C, PRO88A, PRO88C, SER103C, SER93A, SER93C, THR92A, THR92C, TRP90A, TRP90C, TYR99A, TYR99C, VAL72A, VAL72C, VAL95A, VAL95C
• A-D: ALA159A, ALA159D, ALA168A, ALA168D, ALA184A, ALA184D, ALA186A, ALA186D, ALA191A, ALA191D, ALA212A, ALA212D, ARG189A, ARG189D, ARG193A, ARG193D, ARG299A, ARG299D, ARG301A, ARG301D, ARG304A, ARG304D, ARG313A, ARG313D, ASP163A, ASP163D, ASP214A, ASP214D, ASP237A, ASP237D, ASP307A, ASP307D, GLU160A, GLU160D, GLU165A, GLU165D, GLU303A, GLU303D, GLY155A, GLY155D, GLY158A, GLY158D, GLY167A, GLY167D, GLY185A, GLY185D, GLY190A, GLY190D, GLY192A, GLY192D, GLY211A, GLY211D, GLY260A, GLY260D, HIS157A, HIS157D, ILE164A, ILE164D, ILE194A, ILE194D, ILE195A, ILE195D, ILE306A, ILE306D, LEU161D, LEU166A, LEU166D, LEU188A, LEU188D, LEU300A, LEU300D, LEU305A, LEU305D, LEU308A, LEU308D, LYS187A, LYS187D, LYS208A, LYS208D, LYS234A, LYS234D, LYS257A, LYS257D, LYS312A, LYS312D, MET152A, MET152D, PHE156A, PHE156D, PHE310A, PHE310D, PRO296A, PRO296D, THR153A, THR153D, THR169A, THR169D, THR213A, THR213D, TYR209A, TYR209D, TYR210A, TYR210D, TYR311A, TYR311D, VAL170D, VAL183A, VAL183D, VAL309A, VAL309D, VAL314A, VAL314D
• B-C: ALA159B, ALA159C, ALA168B, ALA168C, ALA184B, ALA184C, ALA186B, ALA186C, ALA191B, ALA191C, ALA212B, ALA212C, ARG189B, ARG189C, ARG193B, ARG193C, ARG299B, ARG299C, ARG301B, ARG301C, ARG304B, ARG304C, ARG313B, ARG313C, ASP163B, ASP163C, ASP214B, ASP214C, ASP237B, ASP237C, ASP307B, ASP307C, GLU160B, GLU160C, GLU165B, GLU165C, GLU303B, GLU303C, GLY155B, GLY155C, GLY158B, GLY158C, GLY167B, GLY167C, GLY185B, GLY185C, GLY190B, GLY190C, GLY192B, GLY192C, GLY211B, GLY211C, GLY260B, GLY260C, HIS157B, HIS157C, ILE164B, ILE164C, ILE194B, ILE194C, ILE195B, ILE195C, ILE306B, ILE306C, LEU161C, LEU166B, LEU166C, LEU188B, LEU188C, LEU230B, LEU230C, LEU300B, LEU300C, LEU305B, LEU305C, LEU308B, LEU308C, LYS187B, LYS187C, LYS208B, LYS208C, LYS234B, LYS234C, LYS257B, LYS257C, LYS312B, LYS312C, MET152B, MET152C, PHE156B, PHE156C, PHE310B, PHE310C, PRO296B, PRO296C, THR153B, THR153C, THR169B, THR169C, THR213B, THR213C, THR231B, TYR209B, TYR209C, TYR210B, TYR210C, TYR311B, TYR311C, VAL170B, VAL170C, VAL183B, VAL183C, VAL309B, VAL309C, VAL314B, VAL314C
• B-D: ALA129B, ALA129D, ARG299B, ARG299D, ARG301B, ARG301D, ARG304B, ARG304D, ARG91B, ARG91D, ARG97B, ARG97D, ASN127B, ASN127D, ASN132B, ASN132D, ASP128B, ASP128D, ASP130B, ASP130D, ASP26B, ASP26D, ASP89B, ASP89D, GLN96B, GLN96D, GLU303B, GLU303D, GLU71B, GLU71D, GLU94B, GLU94D, GLY297B, GLY297D, GLY298B, GLY298D, GLY98B, GLY98D, HIS100B, HIS100D, LEU133B, LEU133D, LEU300B, LEU300D, LYS73B, LYS73D, MET131B, MET131D, MET302B, MET302D, PHE25B, PHE25D, PRO24B, PRO24D, PRO84B, PRO84D, PRO88B, PRO88D, SER93B, SER93D, THR92B, THR92D, TRP90B, TRP90D, TYR99D, VAL72B, VAL72D, VAL95B, VAL95D
• C-D: ALA108C, ALA108D, ALA168C, ALA246C, ALA246D, ALA250C, ALA250D, ALA263C, ALA263D, ALA286C, ALA286D, ALA48C, ALA48D, ARG278C, ARG278D, ARG97C, ARG97D, ASN264C, ASN264D, ASN266C, ASN266D, ASP163C, ASP163D, ASP237C, ASP237D, ASP247C, ASP247D, CYS283C, CYS283D, CYS295C, CYS295D, GLN101C, GLN101D, GLU160C, GLU160D, GLU165C, GLU165D, GLU270C, GLU270D, GLU272C, GLU272D, GLU280C, GLU280D, GLU46D, GLU94C, GLU94D, GLY105C, GLY105D, GLY259C, GLY259D, GLY260C, GLY260D, GLY269C, GLY269D, GLY271C, GLY271D, GLY282C, GLY282D, GLY284C, GLY284D, GLY292C, GLY292D, GLY293C, GLY293D, GLY50C, GLY50D, GLY98C, GLY98D, HIS102C, HIS102D, HIS157C, HIS157D, HIS287C, HIS287D, HIS42C, HIS42D, ILE241C, ILE241D, ILE262C, ILE262D, ILE290C, ILE290D, ILE49C, ILE49D, LEU107C, LEU107D, LEU161C, LEU161D, LEU274C, LEU274D, LEU279C, LEU279D, LEU294C, LEU294D, LYS234C, LYS234D, LYS254C, LYS254D, LYS257C, LYS257D, LYS288C, LYS288D, LYS291C, LYS291D, MET106C, MET106D, MET249C, MET249D, MET285C, MET285D, PHE268C, PHE268D, PRO258C, PRO258D, PRO275C, PRO275D, PRO277C, PRO277D, PRO296C, PRO296D, SER103C, SER103D, SER39C, SER93C, SER93D, THR154C, THR154D, THR261C, THR261D, THR289C, THR289D, TRP110C, TRP110D, TRP281C, TRP281D, TYR267C, TYR267D, TYR99C, TYR99D, VAL178C, VAL178D, VAL236C, VAL236D, VAL253C, VAL253D, VAL256C, VAL256D, VAL265C, VAL265D, VAL273C, VAL273D, VAL276C, VAL276D