3I4C

crystal structure of sulfolobus solfataricus adh(ssadh) double mutant (w95l,n249y)

• Total interactions analyzed: 15
• Total true interactions: 11
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 153
  • Norm. En. per Res.: -6.3993
• 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	-229.6992	-152.1314	-574.68	-956.5106	158	35	20	20667	13	47	38
A-C	-4.8272	-10.3103	-169.671	-184.8085	81	1	0	7179	0	26	28
A-D	-23.262	-37.8229	-178.302	-239.3869	93	4	0	7168	1	30	25
A-E	0.0	0.0	-10.8156	-10.8156	12	4	0	465	1	5	4
B-C	-12.9039	-26.4554	-129.717	-169.0763	85	1	0	5764	2	27	20
B-D	-7.1939	-0.8852	-160.29	-168.369	87	0	0	7228	0	27	29
C-D	-229.0332	-171.4927	-578.567	-979.093	153	39	20	20778	14	46	37
C-H	0.0	-14.9101	-6.8644	-21.7745	14	0	0	479	0	10	10
D-E	-13.9575	5.4082	-87.6285	-96.1777	51	3	2	4135	4	27	28
D-H	-23.6277	-15.7982	-37.9793	-77.4052	37	5	0	1934	3	15	20
E-H	-31.4954	-27.1193	-167.609	-226.2236	93	8	0	7094	2	31	23

Interface residues

• A-B: ALA162B, ALA262A, ALA262B, ALA275A, ALA275B, ALA281A, ALA281B, ARG105A, ARG105B, ARG161A, ARG161B, ARG164A, ARG48A, ASN248A, ASN248B, ASN298A, ASN298B, ASP113A, ASP113B, ASP169A, ASP169B, ASP242A, ASP242B, ASP246A, ASP246B, ASP276A, ASP276B, ASP301A, ASP301B, CYS101A, CYS101B, CYS104A, CYS104B, CYS112A, CYS112B, GLN264A, GLN264B, GLN290A, GLN290B, GLU108A, GLU108B, GLU109A, GLU109B, GLU237B, GLU251A, GLU251B, GLU288A, GLU288B, GLY107A, GLY107B, GLY240A, GLY240B, GLY265A, GLY265B, GLY271A, GLY271B, GLY274A, GLY274B, GLY293A, GLY293B, GLY297A, GLY297B, HIS110A, HIS110B, HIS278A, HIS278B, HIS280A, HIS280B, ILE106A, ILE106B, ILE284A, ILE284B, ILE289A, ILE289B, LEU111A, LEU111B, LEU168A, LEU247A, LEU247B, LEU254A, LEU254B, LEU261A, LEU261B, LEU272A, LEU272B, LEU277A, LEU277B, LEU283A, LEU283B, LEU286A, LEU286B, LEU295A, LEU295B, LEU58A, LYS165A, LYS165B, LYS172A, LYS172B, LYS239A, LYS239B, LYS263A, LYS263B, LYS266A, LYS266B, MET269A, MET269B, PHE273A, PHE273B, PHE291A, PHE291B, PHE49A, PRO115A, PRO115B, PRO170A, PRO170B, PRO282A, PRO282B, SER114A, SER114B, SER167A, SER238A, SER238B, SER250A, SER250B, SER287A, SER287B, SER294A, SER294B, THR158A, THR158B, THR171A, THR171B, THR173A, THR173B, THR285A, THR285B, TRP117A, TRP117B, TYR102A, TYR102B, TYR103A, TYR103B, TYR249A, TYR249B, TYR267A, TYR267B, TYR279A, TYR279B, VAL241A, VAL241B, VAL268A, VAL268B, VAL270A, VAL270B, VAL292A, VAL292B, VAL296A, VAL296B
• A-C: ALA91A, ALA91C, ARG105A, ARG105C, ARG116A, ARG116C, ARG307A, ASN100A, ASN100C, ASN298A, ASN298C, ASN93A, ASN93C, ASP301A, ASP301C, CYS101A, CYS101C, CYS104A, CYS104C, GLN299A, GLN299C, GLU108A, GLU108C, GLU109A, GLU109C, GLU80A, GLU80C, GLU98A, GLU98C, GLY107A, GLY107C, GLY304A, GLY304C, GLY83A, GLY83C, GLY97A, GLY97C, GLY99A, GLY99C, HIS134A, HIS134C, ILE106A, ILE106C, LEU303A, LEU303C, LYS136A, LYS136C, LYS140A, LYS140C, LYS24A, LYS24C, MET138A, MET138C, MET306A, MET306C, PHE302A, PHE302C, PRO26A, PRO26C, SER114A, SER114C, SER300A, SER300C, TYR102A, TYR102C, TYR103A, TYR103C, TYR135A, TYR135C, TYR137A, TYR137C, TYR139A, TYR139C, TYR84A, TYR84C, VAL81A, VAL81C, VAL82A, VAL82C, VAL92A, VAL92C
• A-D: ALA191A, ALA191D, ALA193A, ALA193D, ALA197A, ALA197D, ALA217A, ALA309A, ALA309D, ALA311A, ALA311D, ARG142A, ARG142D, ARG143A, ARG164A, ARG164D, ARG234D, ARG307A, ARG307D, ASP169A, ASP169D, ASP218A, ASP218D, ASP242A, ASP242D, ASP301A, ASP301D, GLN299A, GLN299D, GLU237A, GLU237D, GLY196A, GLY196D, GLY216A, GLY216D, GLY304A, GLY304D, ILE190A, ILE190D, ILE199A, ILE199D, ILE235A, ILE235D, ILE305A, ILE305D, LEU168A, LEU168D, LEU174A, LEU174D, LEU303A, LEU303D, LEU308A, LEU308D, LYS140A, LYS172A, LYS172D, LYS192A, LYS192D, LYS239A, LYS239D, LYS313A, LYS313D, MET306A, MET306D, PHE302A, PHE302D, PRO170A, PRO170D, SER195A, SER195D, SER300A, SER300D, THR171A, THR171D, THR173A, THR173D, THR198A, THR198D, THR236A, THR236D, TYR139A, TYR139D, TYR160A, TYR160D, TYR219A, TYR219D, VAL163A, VAL163D, VAL194A, VAL194D, VAL241D, VAL314A, VAL314D
• A-E: ARG142A, ARG205E, ASN222E, GLN226E, GLU206E, GLU207E, LEU141A, LYS140A, MET225E, SER224E, VAL204E, VAL209E
• B-C: ALA191B, ALA191C, ALA193B, ALA193C, ALA197B, ALA197C, ALA217B, ALA309B, ALA309C, ALA311B, ALA311C, ARG142B, ARG142C, ARG143C, ARG164B, ARG164C, ARG234B, ARG307B, ARG307C, ASP169B, ASP169C, ASP218B, ASP218C, ASP242C, ASP301B, ASP301C, GLN299B, GLN299C, GLU237B, GLU237C, GLY196B, GLY196C, GLY216B, GLY216C, GLY304B, GLY304C, ILE190B, ILE190C, ILE199B, ILE199C, ILE305B, ILE305C, LEU168B, LEU168C, LEU303B, LEU303C, LEU308B, LEU308C, LYS140C, LYS172B, LYS172C, LYS192B, LYS192C, LYS239B, LYS239C, LYS313B, LYS313C, MET306B, MET306C, PHE302B, PHE302C, PRO170B, PRO170C, SER195B, SER195C, SER300B, SER300C, THR171B, THR171C, THR173B, THR173C, THR198B, THR198C, THR236C, TYR139B, TYR139C, TYR160B, TYR160C, TYR219B, VAL163B, VAL163C, VAL194B, VAL194C, VAL314B, VAL314C
• B-D: ALA91B, ALA91D, ARG105B, ARG105D, ARG116B, ARG116D, ARG164B, ARG164D, ARG307B, ARG307D, ASN100B, ASN100D, ASN298B, ASN298D, ASN93B, ASN93D, ASP301B, ASP301D, CYS101B, CYS101D, CYS104B, CYS104D, GLN299B, GLN299D, GLU108B, GLU108D, GLU109B, GLU109D, GLU80B, GLU80D, GLU98B, GLU98D, GLY107B, GLY107D, GLY25B, GLY304B, GLY304D, GLY83B, GLY83D, GLY97B, GLY97D, GLY99B, GLY99D, HIS134B, HIS134D, ILE106B, ILE106D, LEU303B, LEU303D, LYS136B, LYS136D, LYS140B, LYS140D, LYS24B, LYS24D, MET138B, MET138D, MET306B, MET306D, PHE302B, PHE302D, PRO26B, PRO26D, SER114B, SER114D, SER300B, SER300D, TYR102B, TYR102D, TYR103B, TYR103D, TYR135B, TYR135D, TYR137B, TYR137D, TYR139B, TYR139D, TYR160D, TYR84B, TYR84D, VAL81B, VAL81D, VAL82B, VAL82D, VAL90B, VAL92B, VAL92D
• C-D: ALA262C, ALA262D, ALA275C, ALA275D, ALA281C, ALA281D, ARG105C, ARG105D, ARG161C, ARG161D, ARG164C, ARG164D, ARG233D, ASN248C, ASN248D, ASN298C, ASN298D, ASP113C, ASP113D, ASP169C, ASP169D, ASP242C, ASP242D, ASP246C, ASP246D, ASP276C, ASP276D, ASP301C, ASP301D, CYS101C, CYS101D, CYS104C, CYS104D, CYS112C, CYS112D, GLN264C, GLN264D, GLN290C, GLN290D, GLU108C, GLU108D, GLU109C, GLU109D, GLU251C, GLU251D, GLU288C, GLU288D, GLY107C, GLY107D, GLY240C, GLY240D, GLY265C, GLY265D, GLY271C, GLY271D, GLY274C, GLY274D, GLY293C, GLY293D, GLY297C, GLY297D, HIS110C, HIS110D, HIS278C, HIS278D, HIS280C, HIS280D, ILE106C, ILE106D, ILE284C, ILE284D, ILE289C, ILE289D, LEU111C, LEU111D, LEU247D, LEU254C, LEU254D, LEU261C, LEU261D, LEU272C, LEU272D, LEU277C, LEU277D, LEU283C, LEU283D, LEU286C, LEU286D, LEU295C, LEU295D, LEU58D, LYS165C, LYS165D, LYS172C, LYS172D, LYS239C, LYS239D, LYS263C, LYS263D, LYS266C, LYS266D, MET269C, MET269D, PHE273C, PHE273D, PHE291C, PHE291D, PRO115C, PRO115D, PRO170C, PRO170D, PRO282C, PRO282D, SER114C, SER114D, SER167D, SER238D, SER250C, SER250D, SER287C, SER287D, SER294C, SER294D, THR158C, THR158D, THR171C, THR171D, THR173C, THR173D, THR285C, THR285D, TRP117C, TRP117D, TYR102C, TYR102D, TYR103C, TYR103D, TYR249C, TYR249D, TYR267C, TYR267D, TYR279C, TYR279D, VAL241C, VAL241D, VAL268C, VAL268D, VAL270C, VAL270D, VAL292C, VAL292D, VAL296C, VAL296D
• C-H: ALA275C, ASP276C, ASP88H, GLU251C, GLU33H, GLU75H, GLY274C, GLY87H, HIS278C, LYS31H, LYS73H, LYS86H, PHE273C, SER85H
• D-E: ALA212E, ALA215E, ALA217E, ALA223E, ALA230D, ALA260D, ARG205E, ARG214E, ARG233D, ARG234D, ARG234E, ASN222D, ASN222E, ASP218E, ASP227D, ASP227E, GLN189E, GLN226D, GLN226E, GLU206D, GLU206E, GLU210E, GLU231D, GLU231E, GLU237D, GLY201E, GLY216E, ILE199E, ILE200E, ILE221D, ILE221E, ILE235D, ILE235E, LEU229D, LYS192E, LYS213E, LYS259D, MET225D, MET225E, PRO228D, SER224D, SER238D, THR198E, THR236D, TYR219D, TYR219E, VAL188E, VAL209D, VAL209E, VAL220D, VAL220E
• D-H: ALA146H, ALA149H, ALA223D, ALA230D, ALA311H, ARG142H, ARG143H, ASN145H, ASP227D, ASP276D, ASP88H, GLU148H, GLU251D, GLU310H, GLU33H, GLY312H, GLY87H, HIS278D, HIS280D, LEU141H, LEU144H, LEU229D, LEU89H, LYS252D, LYS259D, LYS313H, LYS73H, LYS86H, MET225D, PRO228D, PRO316H, SER224D, SER255D, SER85H, TYR257D, VAL147H, VAL256D
• E-H: ALA191E, ALA191H, ALA193E, ALA193H, ALA197E, ALA197H, ALA309E, ALA309H, ALA311E, ALA311H, ARG142E, ARG142H, ARG143E, ARG143H, ARG164E, ARG164H, ARG234H, ARG307E, ARG307H, ASP169E, ASP169H, ASP218E, ASP218H, ASP242E, ASP242H, ASP301E, ASP301H, GLN299E, GLN299H, GLU237E, GLU237H, GLY196E, GLY196H, GLY216E, GLY216H, GLY304E, GLY304H, ILE190E, ILE190H, ILE199E, ILE199H, ILE235E, ILE235H, ILE305E, ILE305H, LEU168E, LEU168H, LEU174E, LEU174H, LEU303E, LEU303H, LEU308E, LEU308H, LYS140E, LYS140H, LYS172E, LYS172H, LYS192E, LYS192H, LYS239E, LYS239H, LYS313E, LYS313H, MET306E, MET306H, PHE302E, PHE302H, PRO170E, PRO170H, SER195E, SER195H, SER300E, SER300H, THR171E, THR171H, THR173E, THR173H, THR198E, THR198H, THR236E, THR236H, TYR139E, TYR139H, TYR160E, TYR160H, TYR219E, TYR219H, VAL163E, VAL163H, VAL194E, VAL194H, VAL314E, VAL314H