3IP1

structure of putative alcohol dehydrogenase (tm_042) from thermotoga maritima

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 154
  • Norm. En. per Res.: -3.3247
• 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	-15.422	-50.9685	-178.733	-245.1236	104	1	0	7839	2	38	45
A-C	-56.7017	29.4633	-236.325	-263.5635	117	11	1	9836	2	17	45
A-D	-94.3704	38.2297	-446.473	-502.6138	156	20	10	17536	4	34	46
B-C	-101.7363	34.5627	-444.83	-512.0036	154	21	10	17332	4	32	47
B-D	-57.7513	30.5027	-237.673	-264.9216	118	12	1	9964	2	18	45
C-D	-9.1787	-44.2622	-172.435	-225.8759	105	2	0	7747	0	36	44

Interface residues

• A-B: ALA108A, ALA108B, ALA138A, ALA138B, ALA167A, ALA167B, ALA170B, ARG111A, ARG111B, ARG112A, ARG112B, ARG135A, ARG135B, ARG210A, ARG210B, ARG333A, ARG333B, ARG350A, ARG350B, ASN110A, ASN110B, ASN114A, ASN114B, ASN147A, ASN147B, ASP166A, ASP166B, CYS131A, CYS131B, CYS134A, CYS134B, CYS137A, CYS137B, CYS145A, CYS145B, GLU107A, GLU107B, GLU126A, GLU126B, GLU139A, GLU139B, GLU146A, GLU146B, GLU175A, GLU175B, GLY132A, GLY132B, GLY140A, GLY140B, GLY344A, GLY344B, GLY346A, GLY346B, HIS133A, HIS133B, HIS345A, HIS345B, ILE109A, ILE109B, ILE352A, ILE352B, LEU148A, LEU148B, LYS115A, LYS115B, LYS168A, LYS168B, LYS21A, LYS21B, LYS52A, LYS52B, PHE141A, PHE141B, PHE348A, PHE348B, PRO136A, PRO136B, PRO142A, PRO142B, PRO20B, PRO349A, PRO349B, PRO53A, PRO53B, SER172A, SER172B, SER343A, SER343B, SER353A, SER353B, THR113A, THR113B, THR347A, THR347B, THR54A, THR54B, TRP130A, TRP130B, TRP171A, TRP171B, TYR169A, TYR169B, VAL351A, VAL351B
• A-C: ALA229A, ALA229C, ALA234A, ALA234C, ALA236A, ALA236C, ALA356A, ALA356C, ARG111A, ARG111C, ARG112A, ARG112C, ARG174A, ARG174C, ARG205A, ARG205C, ARG210A, ARG210C, ARG306A, ARG306C, ARG350A, ARG350C, ASN110A, ASN110C, ASN114A, ASN114C, ASN200A, ASN200C, ASN214A, ASN214C, ASN277A, ASN277C, ASN309A, ASN309C, ASP213A, ASP213C, ASP258A, ASP258C, GLU175A, GLU175C, GLY207A, GLY207C, GLY208A, GLY208C, GLY212A, GLY212C, GLY235A, GLY235C, GLY278A, GLY278C, GLY307A, GLY307C, GLY344A, GLY344C, GLY346A, GLY346C, GLY358A, GLY358C, HIS233A, HIS233C, HIS345A, HIS345C, ILE109A, ILE109C, ILE203A, ILE203C, ILE209A, ILE209C, ILE230A, ILE230C, ILE308A, ILE308C, ILE352A, ILE352C, LEU231A, LEU231C, LEU279A, LEU279C, LEU354A, LEU354C, LYS115A, LYS115C, LYS232A, LYS232C, LYS238A, LYS238C, LYS282A, LYS282C, PHE141C, PRO211A, PRO211C, PRO349A, PRO349C, SER237A, SER237C, SER353A, SER353C, SER357A, SER357C, THR113A, THR113C, THR276A, THR276C, THR347A, THR347C, TRP171A, TRP171C, TYR199A, TYR199C, VAL202A, VAL202C, VAL204A, VAL204C, VAL239A, VAL239C, VAL351A, VAL351C
• A-D: ALA287A, ALA287D, ALA305A, ALA305D, ALA310A, ALA310D, ALA313A, ALA313D, ALA316A, ALA316D, ALA318A, ALA318D, ALA320A, ALA320D, ALA334A, ALA334D, ARG135A, ARG135D, ARG205A, ARG205D, ARG210A, ARG210D, ARG306A, ARG306D, ARG317A, ARG317D, ARG332A, ARG332D, ARG333A, ARG333D, ASN143A, ASN143D, ASN147A, ASN147D, ASN200A, ASN200D, ASN214A, ASN214D, ASN277A, ASN277D, ASN309A, ASN309D, ASP213A, ASP213D, ASP319A, ASP319D, CYS134A, CYS134D, CYS137A, CYS137D, CYS145A, CYS145D, GLN292A, GLN292D, GLN330A, GLN330D, GLN335A, GLN335D, GLN340A, GLN340D, GLU139A, GLU139D, GLU146A, GLU146D, GLU286A, GLU286D, GLU299A, GLU299D, GLU327A, GLU327D, GLY140A, GLY140D, GLY206A, GLY206D, GLY212A, GLY212D, GLY289A, GLY289D, GLY307A, GLY307D, GLY326A, GLY326D, GLY338A, GLY338D, GLY341A, GLY341D, GLY344A, GLY344D, GLY85A, HIS144A, HIS144D, HIS345A, HIS345D, ILE308A, ILE308D, ILE314A, ILE314D, ILE322A, ILE322D, ILE336A, ILE336D, LEU148A, LEU148D, LEU279A, LEU279D, LEU30A, LEU30D, LEU324A, LEU324D, LYS21A, LYS282A, LYS282D, LYS321A, LYS321D, PHE141A, PHE141D, PHE329A, PHE329D, PRO136A, PRO136D, PRO142A, PRO142D, PRO291A, PRO291D, PRO296A, PRO296D, PRO323A, PRO323D, PRO84A, PRO84D, SER339A, SER339D, SER343A, SER343D, THR311A, THR311D, THR325A, THR325D, TRP295A, TRP295D, TRP29A, TRP29D, TRP303A, TRP303D, VAL204A, VAL204D, VAL312A, VAL312D, VAL315A, VAL315D, VAL328A, VAL328D, VAL331A, VAL331D, VAL337A, VAL337D
• B-C: ALA287B, ALA287C, ALA305B, ALA305C, ALA310B, ALA310C, ALA313B, ALA313C, ALA316B, ALA316C, ALA318B, ALA318C, ALA320B, ALA320C, ALA334B, ALA334C, ARG135B, ARG135C, ARG205B, ARG205C, ARG210B, ARG210C, ARG306B, ARG306C, ARG317B, ARG317C, ARG332B, ARG332C, ARG333B, ARG333C, ASN143B, ASN143C, ASN147B, ASN147C, ASN200B, ASN200C, ASN214B, ASN214C, ASN309B, ASN309C, ASP213B, ASP213C, ASP319B, ASP319C, CYS134B, CYS134C, CYS137B, CYS137C, CYS145B, CYS145C, GLN292B, GLN292C, GLN330B, GLN330C, GLN335B, GLN335C, GLN340B, GLN340C, GLU139B, GLU139C, GLU146B, GLU146C, GLU286B, GLU286C, GLU299B, GLU299C, GLU327B, GLU327C, GLY140B, GLY140C, GLY206B, GLY206C, GLY207B, GLY212B, GLY212C, GLY289B, GLY289C, GLY307B, GLY307C, GLY326B, GLY326C, GLY338B, GLY338C, GLY341B, GLY341C, GLY344B, GLY344C, HIS144B, HIS144C, HIS345B, HIS345C, ILE308B, ILE308C, ILE314B, ILE314C, ILE322B, ILE322C, ILE336B, ILE336C, LEU148B, LEU279B, LEU279C, LEU30B, LEU30C, LEU324B, LEU324C, LYS21B, LYS21C, LYS282B, LYS282C, LYS321B, LYS321C, PHE141B, PHE141C, PHE329B, PHE329C, PRO136B, PRO136C, PRO142B, PRO142C, PRO291B, PRO291C, PRO296B, PRO296C, PRO323B, PRO323C, PRO84B, PRO84C, SER339B, SER339C, SER343B, SER343C, THR311B, THR311C, THR325B, THR325C, TRP295B, TRP295C, TRP29B, TRP29C, TRP303B, TRP303C, VAL204B, VAL204C, VAL312B, VAL312C, VAL315B, VAL315C, VAL328B, VAL328C, VAL331B, VAL331C, VAL337B, VAL337C
• B-D: ALA229B, ALA229D, ALA234B, ALA234D, ALA236B, ALA236D, ALA356B, ALA356D, ARG111B, ARG111D, ARG112B, ARG112D, ARG174B, ARG174D, ARG205B, ARG205D, ARG210B, ARG210D, ARG306B, ARG306D, ARG350B, ARG350D, ASN110B, ASN110D, ASN114B, ASN114D, ASN200B, ASN200D, ASN214B, ASN214D, ASN277B, ASN277D, ASN309B, ASN309D, ASP213B, ASP213D, ASP258B, ASP258D, GLU175B, GLU175D, GLY207B, GLY207D, GLY208B, GLY208D, GLY212B, GLY212D, GLY235B, GLY235D, GLY278B, GLY278D, GLY307B, GLY307D, GLY344B, GLY344D, GLY346B, GLY346D, GLY358B, GLY358D, HIS233B, HIS233D, HIS345B, HIS345D, ILE109B, ILE109D, ILE203B, ILE203D, ILE209B, ILE209D, ILE230B, ILE230D, ILE308B, ILE308D, ILE352B, ILE352D, LEU231B, LEU231D, LEU279B, LEU279D, LEU354B, LEU354D, LYS115B, LYS115D, LYS232B, LYS232D, LYS238B, LYS238D, LYS282B, LYS282D, PHE141B, PRO211B, PRO211D, PRO349B, PRO349D, SER237B, SER237D, SER353B, SER353D, SER357B, SER357D, THR113B, THR113D, THR276B, THR347B, THR347D, TRP171B, TRP171D, TYR199B, TYR199D, VAL179B, VAL179D, VAL202B, VAL202D, VAL204B, VAL204D, VAL239B, VAL239D, VAL351B, VAL351D
• C-D: ALA108C, ALA138C, ALA138D, ALA167C, ALA167D, ALA170C, ALA170D, ARG111C, ARG111D, ARG112C, ARG112D, ARG135C, ARG135D, ARG210C, ARG210D, ARG333C, ARG333D, ARG350C, ARG350D, ASN110C, ASN110D, ASN114C, ASN114D, ASN147C, ASN147D, ASP166C, ASP166D, CYS131C, CYS131D, CYS134C, CYS134D, CYS137C, CYS137D, CYS145C, CYS145D, GLU107C, GLU107D, GLU126C, GLU126D, GLU139C, GLU139D, GLU146C, GLU146D, GLU175C, GLU175D, GLY132C, GLY132D, GLY140C, GLY140D, GLY344C, GLY344D, GLY346C, GLY346D, HIS133C, HIS133D, HIS345C, HIS345D, ILE109C, ILE109D, ILE352C, ILE352D, LEU148C, LEU148D, LYS115C, LYS115D, LYS168C, LYS168D, LYS21C, LYS21D, LYS52C, LYS52D, PHE141C, PHE141D, PHE348C, PHE348D, PRO136C, PRO136D, PRO142C, PRO142D, PRO20C, PRO20D, PRO349C, PRO349D, PRO53C, PRO53D, SER172C, SER172D, SER343C, SER343D, SER353C, SER353D, THR113C, THR113D, THR347C, THR347D, THR54C, THR54D, TRP130C, TRP130D, TRP171C, TRP171D, TYR169C, TYR169D, VAL351C, VAL351D