2EEZ

crystal structure of alanine dehydrogenase from themus thermophilus

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 169
  • Norm. En. per Res.: -2.6059
• 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-C	-48.2302	5.9668	-113.639	-155.9023	82	16	4	5621	0	2	5
A-D	-65.5408	49.9326	-424.794	-440.4022	169	22	14	18423	0	27	27
A-E	-27.8525	-61.6049	-81.6292	-171.0866	74	13	0	4486	10	22	18
A-G	-40.9992	-58.8005	-82.5304	-182.3302	73	16	0	4378	11	23	16
C-D	-15.8022	-59.2658	-89.0426	-164.1105	77	10	0	4532	11	23	17
C-E	-40.8949	40.6868	-406.052	-406.2602	169	21	14	18056	0	28	27
C-F	-23.7332	-58.4618	-100.525	-182.72	73	8	0	4478	10	23	17
D-F	-26.1281	-53.0913	-97.8821	-177.1015	73	7	0	4570	10	23	17
D-G	-48.6535	5.7811	-118.064	-160.9364	80	13	4	5477	0	2	5
E-F	-20.5651	6.056	-131.479	-145.9881	82	12	4	5585	0	2	8
E-G	-27.5139	-55.7167	-89.8346	-173.0651	72	12	0	4441	10	23	17
F-G	-45.0935	46.8693	-425.907	-424.1312	170	14	14	18298	0	27	27

Interface residues

• A-C: ALA165A, ALA165C, ALA167A, ALA167C, ALA190A, ALA190C, ALA218A, ALA218C, ARG201A, ARG201C, ARG212A, ARG212C, ASN222A, ASN222C, ASP196A, ASP196C, ASP206A, ASP206C, ASP207A, ASP207C, GLN191A, GLN191C, GLN203A, GLN203C, GLY159A, GLY159C, GLY160A, GLY160C, GLY163A, GLY163C, GLY187A, GLY189A, GLY189C, GLY210A, GLY210C, GLY211A, GLY211C, HIS199A, HIS199C, HIS229A, HIS229C, ILE194A, ILE194C, ILE214A, ILE214C, LEU186A, LEU186C, LEU195A, LEU195C, LEU202A, LEU202C, LEU205A, LEU205C, LEU216A, LEU216C, LYS200A, LYS200C, PHE209A, PHE209C, PRO162A, PRO162C, PRO166A, PRO166C, SER168A, SER168C, SER226A, THR193A, THR193C, THR215A, THR215C, THR217A, THR217C, THR219A, THR219C, TYR204A, TYR204C, VAL161A, VAL161C, VAL164A, VAL164C, VAL213A, VAL213C
• A-D: ALA135A, ALA135D, ALA139A, ALA139D, ALA144A, ALA144D, ALA165A, ALA165D, ALA167A, ALA167D, ALA185A, ALA185D, ALA190A, ALA190D, ALA302A, ALA302D, ALA310A, ALA310D, ARG137A, ARG137D, ARG154A, ARG154D, ARG15A, ARG15D, ARG212A, ARG212D, ARG305A, ARG305D, ASN14A, ASN14D, ASN180A, ASN180D, ASN298A, ASN298D, ASN313A, ASN313D, ASP231A, ASP231D, GLN141A, GLN141D, GLN145A, GLN145D, GLN314A, GLN314D, GLU133A, GLU133D, GLU13A, GLU13D, GLU148A, GLU148D, GLU258A, GLU258D, GLU41A, GLU41D, GLU49A, GLU49D, GLY136A, GLY136D, GLY143A, GLY143D, GLY152A, GLY153A, GLY153D, GLY155A, GLY155D, GLY159A, GLY159D, GLY160A, GLY160D, GLY163A, GLY163D, GLY187A, GLY187D, GLY189A, GLY189D, GLY259A, GLY259D, GLY301A, GLY301D, GLY40A, GLY40D, GLY42A, GLY42D, GLY44A, GLY44D, ILE184A, ILE184D, LEU12A, LEU12D, LEU147A, LEU147D, LEU157A, LEU157D, LEU158A, LEU158D, LEU186A, LEU186D, LEU311A, LEU311D, LEU45A, LEU45D, LYS149A, LYS149D, LYS151A, LYS151D, LYS183A, LYS183D, LYS257A, LYS257D, MET131A, MET131D, MET138A, MET138D, MET188A, MET188D, MET299A, MET299D, PHE146A, PHE146D, PHE309A, PHE309D, PRO130A, PRO130D, PRO140A, PRO140D, PRO150A, PRO150D, PRO162A, PRO162D, PRO166A, PRO166D, PRO300A, PRO300D, PRO304A, PRO304D, SER132A, SER132D, SER307A, SER307D, SER43A, SER43D, SER46A, SER46D, THR176A, THR176D, THR306A, THR306D, THR308A, THR308D, THR312A, THR312D, TYR294A, TYR294D, VAL129A, VAL129D, VAL134A, VAL134D, VAL142A, VAL142D, VAL156A, VAL156D, VAL161A, VAL161D, VAL164A, VAL164D, VAL296A, VAL296D, VAL303A, VAL303D
• A-E: ALA218A, ALA221A, ALA310E, ARG137E, ARG201E, ARG212A, ARG212E, ARG28E, ARG29E, ASN180E, ASN198A, ASN222A, ASN313E, ASP122E, ASP196A, ASP206A, ASP207A, ASP207E, ASP251A, GLN203A, GLN314E, GLU133E, GLU220A, GLU24E, GLY123E, GLY210A, GLY211A, GLY21E, GLY22E, HIS199A, LEU120E, LEU125E, LEU195A, LEU202A, LEU205A, LEU205E, LEU216A, LEU255A, LEU26E, LEU311E, LEU316E, LEU320E, LYS183E, LYS200A, LYS224A, LYS225A, MET252A, PHE209A, PHE209E, PHE309E, PRO121E, PRO126E, PRO130E, PRO20E, PRO317E, SER132E, SER25E, THR124E, THR176E, THR179E, THR19E, THR215A, THR217A, THR219A, THR249A, THR312E, THR315E, TYR204A, TYR204E, VAL129E, VAL197A, VAL208A, VAL208E, VAL23E
• A-G: ALA218G, ALA221G, ALA310A, ARG137A, ARG201A, ARG212A, ARG212G, ARG28A, ARG29A, ASN180A, ASN198G, ASN222G, ASN313A, ASP122A, ASP196G, ASP206G, ASP207A, ASP207G, ASP251G, GLN203G, GLN314A, GLU133A, GLU220G, GLU24A, GLU49A, GLY123A, GLY210G, GLY211G, GLY21A, GLY22A, HIS199G, LEU120A, LEU125A, LEU186A, LEU202G, LEU205A, LEU205G, LEU216G, LEU26A, LEU316A, LEU320A, LYS183A, LYS200G, LYS224G, LYS225G, MET252G, PHE209A, PHE209G, PHE309A, PRO121A, PRO126A, PRO130A, PRO20A, PRO317A, SER132A, SER25A, THR124A, THR176A, THR179A, THR19A, THR215G, THR217G, THR219G, THR249G, THR312A, THR315A, TYR204A, TYR204G, VAL129A, VAL197G, VAL208A, VAL208G, VAL23A
• C-D: ALA218C, ALA221C, ALA310D, ALA53D, ARG137D, ARG201C, ARG201D, ARG212C, ARG212D, ARG28D, ARG29D, ARG305D, ASN180D, ASN198C, ASN222C, ASN313D, ASP122D, ASP196C, ASP206C, ASP207C, ASP207D, ASP251C, GLN203C, GLN314D, GLU133D, GLU220C, GLU24D, GLU49D, GLY123D, GLY210C, GLY211C, GLY21D, GLY22D, HIS199C, LEU120D, LEU125D, LEU195C, LEU202C, LEU205C, LEU205D, LEU216C, LEU255C, LEU26D, LEU316D, LEU320D, LYS183D, LYS200C, LYS224C, LYS225C, MET252C, PHE209C, PHE209D, PHE309D, PRO121D, PRO126D, PRO130D, PRO20D, PRO317D, SER132D, SER25D, THR124D, THR176D, THR179D, THR19D, THR215C, THR217C, THR219C, THR249C, THR312D, THR315D, TYR204C, TYR204D, VAL129D, VAL197C, VAL208C, VAL208D, VAL23D
• C-E: ALA135C, ALA135E, ALA139C, ALA139E, ALA144C, ALA144E, ALA165C, ALA165E, ALA167C, ALA167E, ALA185C, ALA185E, ALA190C, ALA190E, ALA302C, ALA302E, ALA310C, ALA310E, ARG137C, ARG137E, ARG154C, ARG154E, ARG15C, ARG15E, ARG212C, ARG212E, ARG305C, ARG305E, ASN14C, ASN14E, ASN180C, ASN180E, ASN298C, ASN298E, ASN313C, ASN313E, ASP231C, ASP231E, GLN141C, GLN141E, GLN145C, GLN145E, GLN314C, GLN314E, GLU133C, GLU133E, GLU13C, GLU13E, GLU148C, GLU148E, GLU258C, GLU258E, GLU41C, GLU41E, GLU49C, GLU49E, GLY136C, GLY136E, GLY143C, GLY143E, GLY152C, GLY152E, GLY153C, GLY153E, GLY155C, GLY155E, GLY159C, GLY159E, GLY160C, GLY160E, GLY163C, GLY163E, GLY187C, GLY187E, GLY189C, GLY189E, GLY259C, GLY259E, GLY301C, GLY301E, GLY40C, GLY42C, GLY42E, GLY44C, GLY44E, ILE184C, ILE184E, LEU12C, LEU12E, LEU147C, LEU147E, LEU157C, LEU157E, LEU158C, LEU158E, LEU186C, LEU186E, LEU311C, LEU311E, LEU45C, LEU45E, LYS149C, LYS149E, LYS151C, LYS151E, LYS183C, LYS183E, LYS257C, LYS257E, MET131C, MET131E, MET138C, MET138E, MET188C, MET188E, MET299C, MET299E, PHE146C, PHE146E, PHE309C, PHE309E, PRO130C, PRO130E, PRO140C, PRO140E, PRO150C, PRO150E, PRO162C, PRO162E, PRO166C, PRO166E, PRO300C, PRO300E, PRO304C, PRO304E, SER132C, SER132E, SER307C, SER307E, SER43C, SER43E, SER46C, SER46E, THR176C, THR176E, THR306C, THR306E, THR308C, THR308E, THR312C, THR312E, TYR294C, TYR294E, VAL129C, VAL129E, VAL134C, VAL134E, VAL142C, VAL142E, VAL156C, VAL156E, VAL161C, VAL161E, VAL164C, VAL164E, VAL296C, VAL296E, VAL303C, VAL303E
• C-F: ALA218F, ALA221F, ALA310C, ARG137C, ARG201C, ARG212C, ARG212F, ARG28C, ARG29C, ARG305C, ASN180C, ASN198F, ASN222F, ASN313C, ASP122C, ASP196F, ASP206F, ASP207C, ASP207F, ASP251F, GLN203F, GLN314C, GLU133C, GLU220F, GLU24C, GLU49C, GLY123C, GLY210F, GLY211F, GLY21C, GLY22C, HIS199F, LEU120C, LEU125C, LEU202F, LEU205C, LEU205F, LEU216F, LEU26C, LEU316C, LEU320C, LYS183C, LYS200F, LYS224F, LYS225F, MET252F, PHE209C, PHE209F, PHE309C, PRO121C, PRO126C, PRO130C, PRO20C, PRO317C, SER132C, SER25C, THR124C, THR176C, THR179C, THR19C, THR215F, THR217F, THR219F, THR249F, THR312C, THR315C, TYR204C, TYR204F, VAL129C, VAL197F, VAL208C, VAL208F, VAL23C
• D-F: ALA218D, ALA221D, ALA310F, ARG137F, ARG201D, ARG201F, ARG212D, ARG212F, ARG28F, ARG29F, ASN180F, ASN198D, ASN222D, ASN313F, ASP122F, ASP196D, ASP206D, ASP207D, ASP207F, ASP251D, GLN203D, GLN314F, GLU133F, GLU220D, GLU24F, GLY123F, GLY210D, GLY211D, GLY21F, GLY22F, HIS199D, LEU120F, LEU125F, LEU202D, LEU205D, LEU205F, LEU216D, LEU26F, LEU316F, LEU320F, LYS183F, LYS200D, LYS224D, LYS225D, MET131F, MET252D, PHE209D, PHE209F, PHE309F, PRO121F, PRO126F, PRO130F, PRO20F, PRO317F, SER132F, SER25F, THR124F, THR176F, THR179F, THR19F, THR215D, THR217D, THR219D, THR249D, THR312F, THR315F, TYR204D, TYR204F, VAL129F, VAL197D, VAL208D, VAL208F, VAL23F
• D-G: ALA165D, ALA165G, ALA190D, ALA190G, ALA218D, ALA218G, ARG201D, ARG201G, ARG212D, ARG212G, ASN222D, ASN222G, ASP196D, ASP196G, ASP206D, ASP206G, ASP207D, ASP207G, GLN191D, GLN191G, GLN203D, GLN203G, GLY159D, GLY159G, GLY160D, GLY160G, GLY163D, GLY163G, GLY189D, GLY189G, GLY210D, GLY210G, GLY211D, GLY211G, HIS199D, HIS199G, HIS229D, HIS229G, ILE194D, ILE194G, ILE214D, ILE214G, LEU186D, LEU186G, LEU195D, LEU195G, LEU202D, LEU202G, LEU205D, LEU205G, LEU216D, LEU216G, LYS200D, LYS200G, PHE209D, PHE209G, PRO162D, PRO162G, PRO166D, PRO166G, SER168D, SER168G, SER226D, SER226G, THR193D, THR193G, THR215D, THR215G, THR217D, THR217G, THR219D, THR219G, TYR204D, TYR204G, VAL161D, VAL161G, VAL164D, VAL164G, VAL213D, VAL213G
• E-F: ALA165E, ALA165F, ALA167E, ALA190E, ALA190F, ALA218E, ALA218F, ARG201E, ARG201F, ARG212E, ARG212F, ASN222E, ASN222F, ASP196E, ASP196F, ASP206E, ASP206F, ASP207E, ASP207F, GLN191E, GLN191F, GLN203E, GLN203F, GLY159E, GLY159F, GLY160E, GLY160F, GLY163E, GLY163F, GLY189E, GLY189F, GLY210E, GLY210F, GLY211E, GLY211F, HIS199E, HIS199F, HIS229E, HIS229F, ILE194E, ILE194F, ILE214E, ILE214F, LEU186E, LEU186F, LEU195E, LEU195F, LEU202E, LEU202F, LEU205E, LEU205F, LEU216E, LEU216F, LYS200E, LYS200F, PHE209E, PHE209F, PRO162E, PRO162F, PRO166E, PRO166F, SER168E, SER168F, SER226E, SER226F, THR193E, THR193F, THR215E, THR215F, THR217E, THR217F, THR219E, THR219F, TYR204E, TYR204F, VAL161E, VAL161F, VAL164E, VAL164F, VAL192E, VAL213E, VAL213F
• E-G: ALA218E, ALA221E, ALA310G, ARG137G, ARG201G, ARG212E, ARG212G, ARG28G, ARG29G, ASN180G, ASN198E, ASN222E, ASN313G, ASP122G, ASP196E, ASP206E, ASP207E, ASP207G, GLN203E, GLN314G, GLU133G, GLU220E, GLU24G, GLY123G, GLY210E, GLY211E, GLY21G, GLY22G, HIS199E, LEU120G, LEU125G, LEU195E, LEU202E, LEU205E, LEU205G, LEU216E, LEU255E, LEU26G, LEU316G, LEU320G, LYS183G, LYS200E, LYS224E, LYS225E, MET252E, PHE209E, PHE209G, PHE309G, PRO121G, PRO126G, PRO130G, PRO20G, PRO317G, SER132G, SER25G, THR124G, THR176G, THR179G, THR19G, THR215E, THR217E, THR219E, THR249E, THR312G, THR315G, TYR204E, TYR204G, VAL129G, VAL197E, VAL208E, VAL208G, VAL23G
• F-G: ALA135F, ALA135G, ALA139F, ALA139G, ALA144F, ALA144G, ALA165F, ALA165G, ALA167F, ALA167G, ALA185F, ALA185G, ALA190F, ALA190G, ALA302F, ALA302G, ALA310F, ALA310G, ARG137F, ARG137G, ARG154F, ARG154G, ARG15F, ARG15G, ARG212F, ARG212G, ARG305F, ARG305G, ASN14F, ASN14G, ASN180F, ASN180G, ASN298F, ASN298G, ASN313F, ASN313G, ASP231F, ASP231G, GLN141F, GLN141G, GLN145F, GLN145G, GLN314F, GLN314G, GLU133F, GLU133G, GLU13F, GLU13G, GLU148F, GLU148G, GLU258F, GLU258G, GLU41F, GLU41G, GLU49F, GLU49G, GLY136F, GLY136G, GLY143F, GLY143G, GLY152F, GLY152G, GLY153F, GLY153G, GLY155F, GLY155G, GLY159F, GLY159G, GLY160F, GLY160G, GLY163F, GLY163G, GLY187F, GLY187G, GLY189F, GLY189G, GLY259F, GLY259G, GLY301F, GLY301G, GLY40F, GLY40G, GLY42F, GLY42G, GLY44F, GLY44G, ILE184F, ILE184G, LEU12F, LEU12G, LEU147F, LEU147G, LEU157F, LEU157G, LEU158F, LEU158G, LEU186F, LEU186G, LEU311F, LEU311G, LEU45F, LEU45G, LYS149F, LYS149G, LYS151F, LYS151G, LYS183F, LYS183G, LYS257F, LYS257G, MET131F, MET131G, MET138F, MET138G, MET188F, MET188G, MET299F, MET299G, PHE146F, PHE146G, PHE309F, PHE309G, PRO130F, PRO130G, PRO140F, PRO140G, PRO150F, PRO150G, PRO162F, PRO162G, PRO166F, PRO166G, PRO300F, PRO300G, PRO304F, PRO304G, SER132F, SER132G, SER307F, SER307G, SER43F, SER43G, SER46F, SER46G, THR176F, THR176G, THR306F, THR306G, THR308F, THR308G, THR312F, THR312G, TYR294F, TYR294G, VAL129F, VAL129G, VAL134F, VAL134G, VAL142F, VAL142G, VAL156F, VAL156G, VAL161F, VAL161G, VAL164F, VAL164G, VAL296F, VAL296G, VAL303F, VAL303G