2GLF

crystal structure of aminipeptidase (m18 family) from thermotoga maritima

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 189
  • Norm. En. per Res.: -5.0426
• Hub Node: A(2)

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	0.0	0.0	-0.0021	-0.0021	2	0	0	1	0	1	3
A-D	-175.4545	-175.5997	-999.673	-1350.7272	307	62	24	43407	17	135	106
B-C	-147.023	-148.3231	-600.346	-895.6921	193	56	8	22829	17	154	116
B-D	-164.0234	-188.7793	-600.24	-953.0427	189	50	7	22614	21	154	117
C-D	-134.8716	-138.3228	-615.573	-888.7674	187	40	8	22964	21	154	118

Interface residues

• A-B: ARG362B, ASP174A
• A-D: ALA114A, ALA114D, ALA175A, ALA175D, ALA190A, ALA190D, ALA202A, ALA202D, ALA232A, ALA232D, ALA247A, ALA247D, ALA331A, ALA331D, ALA332A, ALA332D, ALA346A, ALA346D, ALA436A, ALA436D, ARG236A, ARG236D, ARG242A, ARG242D, ARG362A, ARG362D, ARG6A, ARG6D, ASN185A, ASN185D, ASN206A, ASN206D, ASN334A, ASN334D, ASN8A, ASN8D, ASP110A, ASP110D, ASP154A, ASP154D, ASP158A, ASP158D, ASP165A, ASP165D, ASP171A, ASP171D, ASP174A, ASP174D, ASP241A, ASP241D, ASP251A, ASP251D, ASP339A, ASP339D, ASP342A, ASP342D, ASP398A, ASP398D, ASP437D, CYS330A, CYS330D, GLN112A, GLN112D, GLN399A, GLN399D, GLU109A, GLU109D, GLU111A, GLU111D, GLU135A, GLU135D, GLU157A, GLU157D, GLU173A, GLU173D, GLU179A, GLU179D, GLU184A, GLU184D, GLU198A, GLU198D, GLU19A, GLU237A, GLU237D, GLU280A, GLU280D, GLU281A, GLU281D, GLU431A, GLU431D, GLY122A, GLY122D, GLY123A, GLY123D, GLY153A, GLY153D, GLY191A, GLY191D, GLY197A, GLY197D, GLY239A, GLY239D, GLY246A, GLY246D, GLY350A, GLY350D, GLY360D, GLY395A, GLY395D, GLY400A, GLY400D, GLY401A, GLY401D, GLY402A, GLY402D, GLY403A, GLY403D, GLY425A, GLY425D, HIS11A, HIS11D, HIS128A, HIS128D, HIS169A, HIS169D, HIS341A, HIS341D, HIS427A, HIS427D, HIS94D, ILE108A, ILE108D, ILE113A, ILE113D, ILE124A, ILE124D, ILE132A, ILE132D, ILE136A, ILE152A, ILE152D, ILE163A, ILE163D, ILE177A, ILE177D, ILE189A, ILE189D, ILE18A, ILE193A, ILE193D, ILE210A, ILE210D, ILE245A, ILE245D, ILE432A, ILE432D, LEU115A, LEU115D, LEU130A, LEU130D, LEU134A, LEU134D, LEU166A, LEU166D, LEU167A, LEU167D, LEU170A, LEU170D, LEU186A, LEU186D, LEU188A, LEU188D, LEU195A, LEU195D, LEU211A, LEU211D, LEU244A, LEU244D, LEU343A, LEU343D, LEU349A, LEU349D, LEU394A, LEU394D, LEU423A, LEU423D, LEU424A, LEU424D, LYS117A, LYS117D, LYS125A, LYS125D, LYS126A, LYS126D, LYS155A, LYS155D, LYS15A, LYS15D, LYS172A, LYS172D, LYS176A, LYS176D, LYS180A, LYS180D, LYS182A, LYS182D, LYS209D, LYS23A, LYS23D, LYS338A, LYS338D, LYS348A, LYS348D, LYS396A, LYS396D, LYS435A, LYS435D, LYS7A, LYS7D, PHE116A, PHE116D, PHE161A, PHE161D, PHE181A, PHE181D, PHE233A, PHE233D, PHE430A, PHE430D, PRO133A, PRO133D, PRO156A, PRO156D, PRO159A, PRO159D, PRO164A, PRO164D, PRO168A, PRO168D, PRO194A, PRO194D, PRO231A, PRO231D, PRO235A, PRO235D, PRO335A, PRO335D, PRO336A, PRO336D, PRO347A, PRO347D, PRO429A, PRO429D, PRO98A, PRO98D, SER131A, SER131D, SER178A, SER178D, SER196A, SER196D, SER234A, SER234D, SER243A, SER243D, SER428A, SER428D, SER433A, SER433D, SER434A, SER434D, THR162A, THR162D, THR192A, THR192D, THR393A, THR393D, THR404D, TRP10A, TRP10D, TRP129A, TRP129D, TYR127A, TYR127D, TYR215A, TYR215D, TYR248A, TYR337A, TYR337D, TYR351A, TYR351D, VAL160A, VAL160D, VAL203A, VAL203D, VAL207A, VAL207D, VAL238A, VAL238D, VAL329A, VAL329D, VAL333A, VAL333D, VAL340A, VAL340D, VAL9A, VAL9D
• B-C: ALA290B, ALA292B, ALA298B, ALA308B, ALA346C, ALA361C, ALA370C, ALA372C, ALA376C, ALA392C, ALA406C, ALA410C, ALA74B, ARG293B, ARG293C, ARG300B, ARG300C, ARG362C, ARG36B, ARG377C, ARG379C, ARG412B, ARG412C, ARG6C, ARG71B, ARG99B, ASN105B, ASN143B, ASN185B, ASN287B, ASN321C, ASN345C, ASN368C, ASN383C, ASN70B, ASP101B, ASP144B, ASP221B, ASP278B, ASP285B, ASP310B, ASP310C, ASP316C, ASP339C, ASP342C, ASP369C, ASP398C, ASP415C, GLN301B, GLN390C, GLN399C, GLU109B, GLU147B, GLU184B, GLU198B, GLU201B, GLU219B, GLU220B, GLU226B, GLU228B, GLU280B, GLU281B, GLU312B, GLU312C, GLU317C, GLU320C, GLU35B, GLU373C, GLU384C, GLU411B, GLU411C, GLU5C, GLY122B, GLY123B, GLY138B, GLY145B, GLY183B, GLY225B, GLY283B, GLY286B, GLY289B, GLY360C, GLY363C, GLY395C, GLY400C, GLY413C, GLY72B, HIS119B, HIS341C, HIS344C, HIS371C, HIS427B, ILE108B, ILE124B, ILE177B, ILE217B, ILE227B, ILE282B, ILE302B, ILE417C, LEU100B, LEU107B, LEU115B, LEU140B, LEU186B, LEU208B, LEU296B, LEU296C, LEU299B, LEU299C, LEU303B, LEU303C, LEU315B, LEU315C, LEU319C, LEU343C, LEU355C, LEU382C, LEU394C, LYS103B, LYS117B, LYS126B, LYS142B, LYS182B, LYS200B, LYS204B, LYS279B, LYS291B, LYS291C, LYS297B, LYS304B, LYS309B, LYS309C, LYS357C, LYS364C, LYS380C, LYS396C, LYS3C, LYS407C, LYS73B, PHE102B, PHE116B, PHE141B, PHE181B, PHE222B, PHE294B, PHE313B, PHE313C, PHE374C, PHE408B, PHE408C, PHE409C, PRO104B, PRO106B, PRO98B, SER178B, SER224B, SER284B, SER311B, SER311C, SER323C, SER366C, SER414C, THR118B, THR146B, THR205B, THR218B, THR288B, THR322C, THR359C, THR367C, THR393C, TRP389C, TYR120B, TYR121B, TYR295C, TYR358C, TYR365C, VAL139B, VAL223B, VAL314B, VAL314C, VAL318C, VAL324C, VAL340C, VAL356C, VAL375C, VAL378C, VAL381C, VAL391C, VAL397C, VAL416C, VAL69B
• B-D: ALA290D, ALA292D, ALA298D, ALA308D, ALA346B, ALA361B, ALA370B, ALA372B, ALA376B, ALA392B, ALA406B, ALA410B, ALA74D, ARG293B, ARG293D, ARG300B, ARG300D, ARG362B, ARG36D, ARG377B, ARG379B, ARG412B, ARG412D, ARG6B, ARG71D, ARG99D, ASN105D, ASN143D, ASN185D, ASN212D, ASN287D, ASN321B, ASN345B, ASN368B, ASN383B, ASN70D, ASP101D, ASP144D, ASP221D, ASP278D, ASP285D, ASP310B, ASP310D, ASP316B, ASP339B, ASP342B, ASP369B, ASP398B, ASP415B, GLN301D, GLN390B, GLN399B, GLU109D, GLU147D, GLU184D, GLU201D, GLU219D, GLU220D, GLU226D, GLU228D, GLU280D, GLU281D, GLU312B, GLU312D, GLU317B, GLU320B, GLU35D, GLU373B, GLU384B, GLU411B, GLU411D, GLU55D, GLU5B, GLY122D, GLY123D, GLY145D, GLY183D, GLY225D, GLY283D, GLY286D, GLY289D, GLY360B, GLY363B, GLY395B, GLY400B, GLY413B, GLY72D, HIS119D, HIS341B, HIS344B, HIS371B, HIS427D, ILE108D, ILE124D, ILE217D, ILE227D, ILE282D, ILE302D, ILE417B, LEU100D, LEU107D, LEU115D, LEU140D, LEU186D, LEU208D, LEU296B, LEU296D, LEU299D, LEU303B, LEU303D, LEU315B, LEU315D, LEU319B, LEU343B, LEU355B, LEU382B, LEU394B, LYS103D, LYS117D, LYS126D, LYS142D, LYS182D, LYS204D, LYS279D, LYS291B, LYS291D, LYS297D, LYS304D, LYS309B, LYS309D, LYS357B, LYS364B, LYS380B, LYS396B, LYS3B, LYS407B, LYS73D, PHE102D, PHE116D, PHE141D, PHE181D, PHE222D, PHE294D, PHE313B, PHE313D, PHE374B, PHE408B, PHE408D, PHE409B, PRO104D, PRO106D, PRO98D, SER178D, SER224D, SER284D, SER311B, SER311D, SER323B, SER366B, SER414B, THR118D, THR146D, THR205D, THR218D, THR288D, THR322B, THR359B, THR367B, THR393B, TRP389B, TYR120D, TYR121D, TYR295B, TYR358B, TYR365B, VAL139D, VAL223D, VAL314B, VAL314D, VAL318B, VAL340B, VAL356B, VAL375B, VAL378B, VAL381B, VAL391B, VAL397B, VAL416B, VAL69D
• C-D: ALA290C, ALA292C, ALA298C, ALA308C, ALA346D, ALA361D, ALA370D, ALA372D, ALA376D, ALA392D, ALA406D, ALA410D, ALA74C, ARG293C, ARG293D, ARG300C, ARG300D, ARG362D, ARG36C, ARG377D, ARG379D, ARG412C, ARG412D, ARG6D, ARG71C, ARG99C, ASN105C, ASN143C, ASN185C, ASN212C, ASN287C, ASN321D, ASN345D, ASN368D, ASN383D, ASN70C, ASP101C, ASP144C, ASP221C, ASP278C, ASP285C, ASP310C, ASP310D, ASP316D, ASP339D, ASP342D, ASP369D, ASP398D, ASP415D, GLN301C, GLN390D, GLN399D, GLU109C, GLU147C, GLU184C, GLU201C, GLU219C, GLU220C, GLU226C, GLU228C, GLU281C, GLU312C, GLU312D, GLU317D, GLU320D, GLU35C, GLU373D, GLU384D, GLU411C, GLU411D, GLU5D, GLY122C, GLY123C, GLY145C, GLY183C, GLY225C, GLY283C, GLY286C, GLY289C, GLY360D, GLY363D, GLY395D, GLY400D, GLY413D, GLY72C, HIS119C, HIS341D, HIS344D, HIS371D, HIS427C, ILE108C, ILE124C, ILE217C, ILE227C, ILE282C, ILE302C, ILE417D, LEU100C, LEU107C, LEU115C, LEU140C, LEU186C, LEU208C, LEU296C, LEU296D, LEU299C, LEU303C, LEU303D, LEU315C, LEU315D, LEU319D, LEU343D, LEU355D, LEU382D, LEU394D, LYS103C, LYS117C, LYS126C, LYS142C, LYS182C, LYS204C, LYS209C, LYS279C, LYS291C, LYS291D, LYS297C, LYS304C, LYS309C, LYS309D, LYS357D, LYS364D, LYS380D, LYS396D, LYS3D, LYS407D, LYS73C, LYS7D, PHE102C, PHE116C, PHE141C, PHE181C, PHE222C, PHE294C, PHE313C, PHE313D, PHE374D, PHE408C, PHE408D, PHE409D, PRO104C, PRO106C, PRO98C, SER178C, SER224C, SER284C, SER311C, SER311D, SER323D, SER366D, SER414D, THR118C, THR146C, THR205C, THR218C, THR288C, THR322D, THR359D, THR367D, THR393D, TRP389D, TYR120C, TYR121C, TYR358D, TYR365D, VAL139C, VAL223C, VAL314C, VAL314D, VAL318D, VAL340D, VAL356D, VAL375D, VAL378D, VAL381D, VAL391D, VAL397D, VAL416D