2B83

a single amino acid substitution in the clostridium beijerinckii alcohol dehydrogenase is critical for thermostabilization

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 158
  • Norm. En. per Res.: -4.5901
• 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	-119.735	18.8862	-540.477	-641.3258	164	42	10	20321	0	27	33
A-C	-43.1369	-79.3147	-207.419	-329.8706	78	10	4	7843	4	22	28
A-D	-30.5185	35.3346	-308.511	-303.695	111	20	1	11708	0	32	31
B-C	-25.4236	30.7809	-305.942	-300.5848	114	14	1	11565	0	33	31
B-D	-44.7903	-78.0865	-208.497	-331.3738	80	10	4	7758	4	22	27
C-D	-174.5482	18.5406	-569.226	-725.2335	158	47	11	20378	0	26	34

Interface residues

• A-B: ALA108A, ALA108B, ALA273A, ALA273B, ALA286A, ALA286B, ALA48A, ALA48B, ALA97A, ALA97B, ARG238A, ARG238B, ARG278A, ARG278B, ASN104A, ASN104B, ASN114A, ASN264A, ASN264B, ASN266A, ASN266B, ASP150B, ASP237A, ASP237B, ASP272A, ASP272B, CYS283A, CYS283B, CYS295A, CYS295B, CYS85B, GLN101A, GLN101B, GLN165A, GLN165B, GLN96A, GLN96B, GLU160A, GLU160B, GLU280A, GLU280B, GLU46A, GLU46B, GLU94A, GLU94B, GLY105A, GLY105B, GLY259A, GLY259B, GLY260A, GLY260B, GLY269A, GLY269B, GLY271A, GLY271B, GLY282A, GLY282B, GLY284A, GLY284B, GLY292A, GLY292B, GLY293A, GLY293B, GLY47A, GLY47B, GLY50A, GLY50B, GLY98A, GLY98B, HIS102A, HIS102B, HIS157A, HIS157B, HIS268A, HIS268B, HIS287A, HIS287B, HIS42A, HIS42B, HIS59B, ILE261A, ILE261B, ILE262A, ILE262B, ILE265A, ILE265B, ILE276A, ILE276B, ILE290A, ILE290B, LEU107A, LEU107B, LEU161A, LEU161B, LEU249A, LEU249B, LEU274A, LEU274B, LEU275A, LEU275B, LEU294A, LEU294B, LEU49A, LEU49B, LEU93A, LEU93B, LYS234A, LYS234B, LYS257A, LYS257B, LYS288A, LYS288B, LYS291A, LYS291B, MET106A, MET106B, MET241A, MET241B, MET285A, MET285B, PHE99A, PHE99B, PRO100A, PRO100B, PRO258A, PRO258B, PRO277A, PRO277B, PRO296A, PRO296B, SER103A, SER103B, SER168A, SER246A, SER246B, SER250A, SER254A, SER254B, SER263A, SER263B, SER270A, SER270B, SER39A, SER39B, THR154A, THR154B, THR289A, THR289B, THR43A, THR86A, THR86B, TRP110A, TRP110B, TRP281A, TRP281B, TYR267A, TYR267B, VAL178B, VAL253A, VAL253B, VAL256A, VAL256B, VAL279A, VAL279B
• A-C: ALA129A, ALA129C, ALA302A, ALA302C, ALA97A, ALA97C, ARG299A, ARG299C, ARG301A, ARG301C, ARG91A, ARG91C, ASN104A, ASN104C, ASN127A, ASN127C, ASN132A, ASN132C, ASP128A, ASP128C, ASP130A, ASP130C, ASP26A, ASP26C, ASP74A, ASP74C, ASP89A, ASP89C, GLN96A, GLN96C, GLU303A, GLU303C, GLU71A, GLU71C, GLU94A, GLU94C, GLY297A, GLY297C, GLY298A, GLY298C, GLY98A, GLY98C, LEU133A, LEU133C, LEU300A, LEU300C, LEU93A, LEU93C, LYS73A, LYS73C, MET131A, MET131C, MET304A, MET304C, PHE75A, PHE75C, PHE99A, PHE99C, PRO100A, PRO100C, PRO296A, PRO296C, PRO84A, PRO84C, PRO88A, PRO88C, SER24A, SER24C, SER92A, SER92C, TRP90A, TRP90C, TYR25A, TYR25C, VAL72A, VAL72C, VAL95A, VAL95C
• A-D: ALA159A, ALA159D, ALA184A, ALA184D, ALA186A, ALA186D, ALA191A, ALA191D, ALA212A, ALA212D, ARG189A, ARG189D, ARG193A, ARG193D, ARG238A, ARG238D, ARG299A, ARG299D, ARG301A, ARG301D, ARG306A, ARG306D, ARG313A, ARG313D, ASN312A, ASN312D, ASP163A, ASP163D, ASP214A, ASP214D, ASP237A, ASP237D, ASP307A, ASP307D, GLN165A, GLN165D, GLU160A, GLU160D, GLU303A, GLU303D, GLY167A, GLY167D, GLY185A, GLY185D, GLY190A, GLY190D, GLY192A, GLY192D, GLY211A, GLY211D, HIS157A, HIS157D, ILE164A, ILE164D, ILE183A, ILE183D, ILE194A, ILE194D, ILE195A, ILE195D, LEU188A, LEU188D, LEU230A, LEU230D, LEU300A, LEU300D, LEU305A, LEU305D, LYS187A, LYS187D, LYS208A, LYS208D, LYS234A, LYS234D, LYS257A, LYS257D, MET152A, MET152D, MET166A, MET166D, MET304A, MET304D, MET308A, MET308D, PHE156A, PHE156D, PHE209A, PHE209D, PRO296A, PRO296D, SER168A, SER168D, SER169A, SER169D, THR153A, THR153D, THR213A, THR213D, THR231D, TYR210A, TYR210D, TYR311A, TYR311D, VAL170A, VAL170D, VAL309A, VAL309D, VAL310A, VAL310D, VAL314A, VAL314D
• B-C: ALA159B, ALA159C, ALA184B, ALA184C, ALA186B, ALA186C, ALA191B, ALA191C, ALA212B, ALA212C, ARG189B, ARG189C, ARG193B, ARG193C, ARG238B, ARG238C, ARG299B, ARG299C, ARG301B, ARG301C, ARG306B, ARG306C, ARG313B, ARG313C, ASN312B, ASN312C, ASP163B, ASP163C, ASP214B, ASP214C, ASP237B, ASP237C, ASP307B, ASP307C, GLN165B, GLN165C, GLU160B, GLU160C, GLU303B, GLU303C, GLY155B, GLY155C, GLY158C, GLY167B, GLY167C, GLY182C, GLY185B, GLY185C, GLY190B, GLY190C, GLY192B, GLY192C, GLY211B, GLY211C, HIS157B, HIS157C, ILE164B, ILE164C, ILE183B, ILE183C, ILE194B, ILE194C, ILE195B, ILE195C, LEU161C, LEU188B, LEU188C, LEU230C, LEU300B, LEU300C, LEU305B, LEU305C, LYS187B, LYS187C, LYS208B, LYS208C, LYS234B, LYS234C, LYS257B, LYS257C, MET152B, MET152C, MET166B, MET166C, MET181C, MET304B, MET304C, MET308B, MET308C, PHE156B, PHE156C, PHE209B, PHE209C, PRO296B, PRO296C, SER168B, SER168C, SER169B, SER169C, THR153B, THR153C, THR213B, THR213C, TYR210B, TYR210C, TYR311B, TYR311C, VAL170B, VAL170C, VAL309B, VAL309C, VAL310B, VAL310C, VAL314B
• B-D: ALA129B, ALA129D, ALA302B, ALA302D, ALA97B, ALA97D, ARG299B, ARG299D, ARG301B, ARG301D, ARG306B, ARG91B, ARG91D, ASN104B, ASN104D, ASN127B, ASN127D, ASN132B, ASN132D, ASP128B, ASP128D, ASP130B, ASP130D, ASP26B, ASP26D, ASP74B, ASP74D, ASP89B, ASP89D, GLN96B, GLN96D, GLU303B, GLU303D, GLU71B, GLU71D, GLU94B, GLU94D, GLY297B, GLY297D, GLY298B, GLY298D, GLY98B, GLY98D, LEU133B, LEU133D, LEU300B, LEU300D, LEU93B, LEU93D, LYS73B, LYS73D, MET131B, MET131D, MET304B, MET304D, PHE75B, PHE75D, PHE99B, PHE99D, PRO100B, PRO100D, PRO296B, PRO296D, PRO84B, PRO84D, PRO88B, PRO88D, SER103B, SER24B, SER24D, SER92B, SER92D, TRP90B, TRP90D, TYR25B, TYR25D, VAL72B, VAL72D, VAL95B, VAL95D
• C-D: ALA108C, ALA108D, ALA273C, ALA273D, ALA286C, ALA286D, ALA48C, ALA48D, ALA97C, ALA97D, ARG238C, ARG238D, ARG278C, ARG278D, ASN104C, ASN104D, ASN114C, ASN114D, ASN264C, ASN264D, ASN266C, ASN266D, ASP237C, ASP237D, ASP272C, ASP272D, CYS283C, CYS283D, CYS295C, CYS295D, GLN101C, GLN101D, GLN165C, GLN165D, GLN96D, GLU160C, GLU160D, GLU280C, GLU280D, GLU46C, GLU46D, GLU94C, GLU94D, GLY105C, GLY105D, GLY259C, GLY259D, GLY260C, GLY260D, GLY269C, GLY269D, GLY271C, GLY271D, GLY282C, GLY282D, GLY284C, GLY284D, GLY292C, GLY292D, GLY293C, GLY293D, GLY47C, GLY47D, GLY50D, GLY98C, GLY98D, HIS102C, HIS102D, HIS157C, HIS157D, HIS268C, HIS268D, HIS287C, HIS287D, HIS42C, HIS42D, ILE261C, ILE261D, ILE262C, ILE262D, ILE265C, ILE265D, ILE276C, ILE276D, ILE290C, ILE290D, LEU107C, LEU107D, LEU161C, LEU161D, LEU249C, LEU249D, LEU274C, LEU274D, LEU275C, LEU275D, LEU294C, LEU294D, LEU49C, LEU49D, LEU93C, LEU93D, LYS234C, LYS234D, LYS257C, LYS257D, LYS288C, LYS288D, LYS291C, LYS291D, MET106C, MET106D, MET241C, MET241D, MET285C, MET285D, PHE99C, PHE99D, PRO100C, PRO100D, PRO258C, PRO258D, PRO277C, PRO277D, PRO296C, PRO296D, SER103C, SER103D, SER246C, SER246D, SER250C, SER250D, SER254C, SER254D, SER263C, SER263D, SER270C, SER270D, SER39C, SER39D, THR154C, THR154D, THR289C, THR289D, THR86C, THR86D, TRP110C, TRP110D, TRP281C, TRP281D, TYR267C, TYR267D, VAL253C, VAL253D, VAL256C, VAL256D, VAL279C, VAL279D