2NYN

crystal structure of phenylalanine ammonia-lyase from anabaena variabilis

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 315
  • Norm. En. per Res.: -4.6347
• 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	-167.5515	-106.4556	-874.417	-1148.4241	281	38	20	36589	14	42	51
A-C	0.0	-30.4758	-68.7852	-99.261	50	4	0	2571	4	6	7
A-D	-253.041	-68.1316	-1138.76	-1459.9326	315	64	22	40872	6	64	65
B-C	-236.9418	-67.6251	-1136.87	-1441.4369	314	68	21	40897	6	64	66
B-D	0.0	-29.9711	-66.0376	-96.0087	50	2	0	2532	4	6	7
C-D	-166.6225	-104.8863	-878.185	-1149.6937	279	37	20	36412	14	42	51

Interface residues

• A-B: ALA112A, ALA112B, ALA383A, ALA383B, ALA391A, ALA391B, ALA394A, ALA394B, ALA440A, ALA440B, ALA447A, ALA447B, ALA477A, ALA477B, ALA543A, ALA543B, ALA97A, ALA97B, ARG313A, ARG313B, ARG376A, ARG376B, ARG412A, ARG412B, ARG442A, ARG442B, ARG467A, ARG467B, ASN103A, ASN103B, ASN114A, ASN114B, ASN415A, ASN415B, ASN426A, ASN426B, ASN437A, ASN437B, ASN451A, ASN451B, ASN455A, ASN455B, ASN474A, ASN474B, ASN532A, ASN532B, ASN534A, ASN534B, ASP170A, ASP170B, ASP185A, ASP185B, ASP373A, ASP373B, ASP387A, ASP387B, ASP441A, ASP441B, ASP470A, ASP470B, ASP533A, ASP533B, ASP539A, ASP539B, CYS424A, CYS424B, GLN101A, GLN101B, GLN389A, GLN389B, GLN422A, GLN422B, GLN449A, GLN449B, GLN452A, GLN452B, GLN457A, GLN457B, GLN473A, GLN473B, GLN536A, GLN536B, GLN96A, GLN96B, GLU161A, GLU161B, GLU397A, GLU397B, GLU448A, GLU448B, GLU535A, GLU535B, GLU540A, GLU540B, GLU95A, GLU95B, GLU99A, GLU99B, GLY111A, GLY111B, GLY113A, GLY113B, GLY163A, GLY163B, GLY166A, GLY166B, GLY380A, GLY380B, GLY417A, GLY417B, GLY420A, GLY420B, GLY425A, GLY425B, GLY436A, GLY436B, GLY537A, GLY537B, HIS446A, HIS446B, HIS541A, HIS541B, ILE165A, ILE165B, ILE390A, ILE390B, ILE423A, ILE423B, ILE428A, ILE428B, ILE439A, ILE439B, ILE471A, ILE471B, ILE478A, ILE478B, ILE530A, ILE530B, ILE542A, ILE542B, LEU100A, LEU100B, LEU104A, LEU104B, LEU108A, LEU108B, LEU171A, LEU171B, LEU184A, LEU184B, LEU381A, LEU381B, LEU386A, LEU386B, LEU392A, LEU392B, LEU393A, LEU393B, LEU402A, LEU402B, LEU406A, LEU406B, LEU407A, LEU407B, LEU418A, LEU418B, LEU421A, LEU421B, LEU431A, LEU431B, LEU432A, LEU432B, LEU464A, LEU464B, LEU538A, LEU538B, LYS109A, LYS109B, LYS115A, LYS115B, LYS189A, LYS189B, LYS384A, LYS384B, LYS413A, LYS413B, LYS419A, LYS419B, MET416A, MET416B, MET429A, MET429B, MET481A, MET481B, PHE107A, PHE107B, PHE162A, PHE162B, PHE188A, PHE188B, PHE398A, PHE398B, PHE434A, PHE434B, PHE443A, PHE443B, PHE450A, PHE450B, PHE472A, PHE472B, PHE482A, PHE482B, PRO173A, PRO173B, PRO396A, PRO396B, PRO403A, PRO403B, PRO404A, PRO404B, PRO430A, PRO430B, PRO444A, PRO444B, SER164A, SER164B, SER175A, SER187A, SER187B, SER395A, SER395B, SER399A, SER399B, SER405A, SER405B, SER427A, SER427B, SER438A, SER438B, SER461A, SER461B, SER468A, SER468B, SER546A, SER546B, SER98A, SER98B, THR102A, THR102B, THR110A, THR110B, THR433A, THR433B, THR445A, THR445B, THR460A, THR460B, THR463A, THR463B, TRP106A, TRP106B, TYR160A, TYR160B, TYR176A, TYR176B, TYR377A, TYR377B, TYR435A, TYR435B, TYR459A, TYR459B, TYR475A, TYR475B, VAL105A, VAL105B, VAL172A, VAL172B, VAL388A, VAL388B, VAL414A, VAL414B
• A-C: ALA440A, ALA440C, ALA447A, ALA447C, ARG313A, ARG313C, ARG442A, ARG442C, ASN437A, ASN437C, ASN453A, ASN453C, ASP441A, ASP441C, GLU397A, GLU397C, HIS446A, HIS446C, ILE310A, ILE310C, ILE423A, ILE423C, ILE439A, ILE439C, LYS384A, LYS384C, LYS419A, LYS419C, MET429A, MET429C, PHE398A, PHE398C, PHE443A, PHE443C, PHE450A, PHE450C, PRO396A, PRO396C, PRO430A, PRO430C, PRO444A, PRO444C, SER395A, SER395C, SER438A, SER438C, THR445A, THR445C, TYR314A, TYR314C
• A-D: ALA136A, ALA136D, ALA280A, ALA280D, ALA356A, ALA356D, ALA383A, ALA383D, ALA391A, ALA391D, ALA440A, ALA440D, ALA447A, ALA447D, ARG134A, ARG134D, ARG295A, ARG295D, ARG313A, ARG313D, ARG317A, ARG317D, ARG376A, ARG376D, ARG442A, ARG442D, ASN223A, ASN223D, ASN270A, ASN270D, ASN342A, ASN342D, ASN347A, ASN347D, ASN354A, ASN354D, ASN362A, ASN362D, ASN426D, ASN437A, ASN437D, ASN451A, ASN451D, ASN453A, ASN453D, ASN455A, ASN455D, ASP299A, ASP299D, ASP312A, ASP312D, ASP328A, ASP328D, ASP346A, ASP346D, ASP351A, ASP351D, ASP353A, ASP353D, ASP373A, ASP373D, ASP387A, ASP387D, ASP441A, ASP441D, CYS318A, CYS318D, GLN262A, GLN262D, GLN277A, GLN277D, GLN311A, GLN311D, GLN321A, GLN321D, GLN332A, GLN332D, GLN336A, GLN336D, GLN355A, GLN355D, GLN366A, GLN366D, GLN389A, GLN389D, GLN449A, GLN449D, GLN452A, GLN452D, GLN457A, GLN457D, GLU297A, GLU297D, GLU338A, GLU338D, GLU340A, GLU340D, GLU397A, GLU397D, GLU448A, GLU448D, GLY135A, GLY135D, GLY166A, GLY166D, GLY224A, GLY224D, GLY276A, GLY276D, GLY300A, GLY300D, GLY324A, GLY324D, GLY329A, GLY329D, GLY360A, GLY360D, GLY361A, GLY361D, GLY365A, GLY365D, GLY369A, GLY369D, GLY371A, GLY371D, GLY380A, GLY380D, GLY436A, GLY436D, GLY74A, GLY74D, HIS250A, HIS250D, HIS265A, HIS265D, HIS269A, HIS269D, HIS274A, HIS274D, HIS359A, HIS359D, HIS374A, HIS374D, HIS385A, HIS385D, HIS446A, HIS446D, ILE165A, ILE165D, ILE268A, ILE268D, ILE310A, ILE310D, ILE326A, ILE326D, ILE330A, ILE330D, ILE333A, ILE333D, ILE337A, ILE337D, ILE339A, ILE339D, ILE341A, ILE341D, ILE350A, ILE350D, ILE390A, ILE390D, ILE439A, ILE439D, ILE454A, ILE454D, LEU171A, LEU171D, LEU219A, LEU219D, LEU257A, LEU257D, LEU278A, LEU278D, LEU298A, LEU298D, LEU316A, LEU316D, LEU319A, LEU319D, LEU323A, LEU323D, LEU349A, LEU349D, LEU364A, LEU364D, LEU375A, LEU375D, LEU381A, LEU381D, LEU382A, LEU382D, LEU386A, LEU386D, LEU392A, LEU392D, LEU432A, LEU432D, LYS272A, LYS272D, LYS301A, LYS301D, LYS32A, LYS32D, LYS335A, LYS335D, LYS384A, LYS384D, MET228A, MET228D, MET370A, MET370D, MET372A, MET372D, MET429A, MET429D, PHE264A, PHE264D, PHE267A, PHE267D, PHE363A, PHE363D, PHE398A, PHE398D, PHE434A, PHE434D, PHE443A, PHE443D, PHE450A, PHE450D, PRO266A, PRO266D, PRO273A, PRO273D, PRO275A, PRO275D, PRO320A, PRO320D, PRO325A, PRO325D, PRO348A, PRO348D, PRO444A, PRO444D, SER131A, SER131D, SER137A, SER137D, SER263A, SER263D, SER271A, SER271D, SER315A, SER315D, SER331A, SER331D, SER343A, SER343D, SER357A, SER357D, SER438A, SER438D, SER456A, SER456D, SER461A, SER461D, SER63A, SER63D, SER73A, SER73D, THR225A, THR225D, THR229A, THR229D, THR260A, THR260D, THR345A, THR345D, THR433A, THR433D, THR445A, THR445D, TRP279A, TRP279D, TYR314A, TYR314D, TYR322A, TYR322D, TYR358A, TYR358D, TYR367A, TYR367D, TYR377A, TYR377D, TYR378A, TYR378D, TYR66A, TYR66D, VAL327A, VAL327D, VAL344A, VAL344D, VAL352A, VAL352D, VAL368A, VAL368D, VAL388A, VAL388D
• B-C: ALA136B, ALA136C, ALA280B, ALA280C, ALA356B, ALA356C, ALA383B, ALA383C, ALA391B, ALA391C, ALA440B, ALA440C, ALA447B, ALA447C, ARG134B, ARG134C, ARG295B, ARG295C, ARG313B, ARG313C, ARG317B, ARG317C, ARG376B, ARG376C, ARG442B, ARG442C, ASN223B, ASN223C, ASN270B, ASN270C, ASN342B, ASN342C, ASN347B, ASN347C, ASN354B, ASN354C, ASN362B, ASN362C, ASN426B, ASN437B, ASN437C, ASN451B, ASN451C, ASN453B, ASN453C, ASN455B, ASN455C, ASP299B, ASP299C, ASP312B, ASP312C, ASP328B, ASP328C, ASP346B, ASP346C, ASP351B, ASP351C, ASP353B, ASP353C, ASP373B, ASP373C, ASP387B, ASP387C, ASP441B, ASP441C, CYS318B, CYS318C, GLN262B, GLN262C, GLN277B, GLN277C, GLN311B, GLN311C, GLN321B, GLN321C, GLN332B, GLN332C, GLN336B, GLN336C, GLN355B, GLN355C, GLN366B, GLN366C, GLN389B, GLN389C, GLN449B, GLN449C, GLN452B, GLN452C, GLN457B, GLN457C, GLU297B, GLU297C, GLU338B, GLU338C, GLU340B, GLU340C, GLU448B, GLU448C, GLY135B, GLY135C, GLY166B, GLY166C, GLY224B, GLY224C, GLY276B, GLY276C, GLY300B, GLY300C, GLY324B, GLY324C, GLY329B, GLY329C, GLY360B, GLY360C, GLY361B, GLY361C, GLY365B, GLY365C, GLY369B, GLY369C, GLY371B, GLY371C, GLY380B, GLY380C, GLY436B, GLY436C, GLY74B, GLY74C, HIS250B, HIS250C, HIS265B, HIS265C, HIS269B, HIS269C, HIS274B, HIS274C, HIS359B, HIS359C, HIS374B, HIS374C, HIS385B, HIS385C, HIS446B, HIS446C, ILE165B, ILE165C, ILE268B, ILE268C, ILE310B, ILE310C, ILE326B, ILE326C, ILE330B, ILE330C, ILE333B, ILE333C, ILE337B, ILE337C, ILE339B, ILE339C, ILE341B, ILE341C, ILE350B, ILE350C, ILE379B, ILE390B, ILE390C, ILE439B, ILE439C, ILE454B, ILE454C, LEU171B, LEU171C, LEU219B, LEU219C, LEU257B, LEU257C, LEU278B, LEU278C, LEU298B, LEU298C, LEU316B, LEU316C, LEU319B, LEU319C, LEU323B, LEU323C, LEU349B, LEU349C, LEU364B, LEU364C, LEU375B, LEU375C, LEU381B, LEU381C, LEU382B, LEU382C, LEU386B, LEU386C, LEU392B, LEU392C, LEU432B, LEU432C, LYS272B, LYS272C, LYS301B, LYS301C, LYS32B, LYS32C, LYS335B, LYS335C, LYS384B, LYS384C, MET228B, MET228C, MET370B, MET370C, MET372B, MET372C, MET429B, MET429C, PHE264B, PHE264C, PHE267B, PHE267C, PHE363B, PHE363C, PHE398B, PHE398C, PHE434B, PHE434C, PHE443B, PHE443C, PHE450B, PHE450C, PRO266B, PRO266C, PRO273B, PRO273C, PRO275B, PRO275C, PRO320B, PRO320C, PRO325B, PRO325C, PRO348B, PRO348C, PRO444B, PRO444C, SER131B, SER131C, SER137B, SER137C, SER263B, SER263C, SER271B, SER271C, SER315B, SER315C, SER331B, SER331C, SER343B, SER343C, SER357B, SER357C, SER438B, SER438C, SER456B, SER456C, SER461B, SER461C, SER63B, SER63C, SER73B, SER73C, THR225B, THR225C, THR229B, THR229C, THR260B, THR260C, THR345B, THR345C, THR433B, THR433C, THR445B, THR445C, TRP279B, TRP279C, TYR314B, TYR314C, TYR322B, TYR322C, TYR358B, TYR358C, TYR367B, TYR367C, TYR377B, TYR377C, TYR378B, TYR378C, TYR66B, TYR66C, VAL327B, VAL327C, VAL344B, VAL344C, VAL352B, VAL352C, VAL368B, VAL368C, VAL388B, VAL388C
• B-D: ALA440B, ALA440D, ALA447B, ALA447D, ARG313B, ARG313D, ARG442B, ARG442D, ASN437B, ASN437D, ASN453B, ASN453D, ASP441B, ASP441D, GLU397B, GLU397D, HIS446B, HIS446D, ILE310B, ILE310D, ILE423B, ILE423D, ILE439B, ILE439D, LYS384B, LYS384D, LYS419B, LYS419D, MET429B, MET429D, PHE398B, PHE398D, PHE443B, PHE443D, PHE450B, PHE450D, PRO396B, PRO396D, PRO430B, PRO430D, PRO444B, PRO444D, SER395B, SER395D, SER438B, SER438D, THR445B, THR445D, TYR314B, TYR314D
• C-D: ALA112C, ALA112D, ALA383C, ALA383D, ALA391C, ALA391D, ALA394C, ALA394D, ALA440C, ALA440D, ALA447C, ALA447D, ALA477C, ALA477D, ALA543C, ALA543D, ALA97C, ALA97D, ARG313C, ARG313D, ARG376C, ARG376D, ARG412C, ARG412D, ARG442C, ARG442D, ARG467C, ARG467D, ASN103C, ASN103D, ASN114C, ASN114D, ASN415C, ASN415D, ASN426C, ASN426D, ASN437C, ASN437D, ASN451C, ASN451D, ASN455C, ASN455D, ASN474C, ASN474D, ASN532C, ASN532D, ASN534C, ASN534D, ASP170C, ASP170D, ASP185C, ASP185D, ASP373C, ASP373D, ASP387C, ASP387D, ASP441C, ASP441D, ASP470C, ASP470D, ASP533C, ASP533D, ASP539C, ASP539D, CYS424C, CYS424D, GLN101C, GLN101D, GLN389C, GLN389D, GLN422C, GLN422D, GLN449C, GLN449D, GLN452C, GLN452D, GLN457C, GLN457D, GLN536C, GLN536D, GLN96C, GLN96D, GLU161C, GLU161D, GLU397C, GLU397D, GLU448C, GLU448D, GLU535C, GLU535D, GLU540C, GLU540D, GLU95C, GLU95D, GLU99C, GLU99D, GLY111C, GLY111D, GLY113C, GLY113D, GLY163C, GLY163D, GLY166C, GLY166D, GLY380C, GLY380D, GLY417C, GLY417D, GLY420C, GLY420D, GLY425C, GLY425D, GLY436C, GLY436D, GLY537C, GLY537D, HIS385C, HIS446C, HIS446D, HIS541C, HIS541D, ILE165C, ILE165D, ILE390C, ILE390D, ILE423C, ILE423D, ILE428C, ILE428D, ILE439C, ILE439D, ILE471C, ILE471D, ILE478C, ILE478D, ILE530C, ILE530D, ILE542C, ILE542D, LEU100C, LEU100D, LEU104C, LEU104D, LEU108C, LEU108D, LEU171C, LEU171D, LEU184C, LEU184D, LEU381C, LEU381D, LEU386C, LEU386D, LEU392C, LEU392D, LEU393C, LEU393D, LEU402C, LEU402D, LEU406C, LEU406D, LEU407C, LEU407D, LEU418C, LEU418D, LEU421C, LEU421D, LEU431C, LEU431D, LEU432C, LEU432D, LEU464C, LEU464D, LEU538C, LEU538D, LYS109C, LYS109D, LYS115C, LYS115D, LYS189C, LYS189D, LYS384C, LYS384D, LYS413C, LYS413D, LYS419C, LYS419D, MET416C, MET416D, MET429C, MET429D, MET481C, MET481D, PHE107C, PHE107D, PHE162C, PHE162D, PHE188C, PHE188D, PHE398C, PHE398D, PHE434C, PHE434D, PHE443C, PHE443D, PHE450C, PHE450D, PHE472C, PHE472D, PHE482C, PHE482D, PRO173C, PRO173D, PRO396C, PRO396D, PRO403C, PRO403D, PRO404C, PRO404D, PRO430C, PRO430D, PRO444C, PRO444D, SER164C, SER164D, SER187C, SER187D, SER395C, SER395D, SER399C, SER399D, SER405C, SER405D, SER427C, SER427D, SER438C, SER438D, SER461C, SER461D, SER468C, SER468D, SER546C, SER546D, SER98C, SER98D, THR102C, THR102D, THR110C, THR110D, THR433C, THR433D, THR445C, THR445D, THR460C, THR460D, THR463C, THR463D, TRP106C, TRP106D, TYR160C, TYR160D, TYR176C, TYR176D, TYR377C, TYR377D, TYR435C, TYR435D, TYR459C, TYR459D, TYR475C, TYR475D, VAL105C, VAL105D, VAL172C, VAL172D, VAL388C, VAL388D, VAL414C, VAL414D