2BGN

hiv-1 tat protein derived n-terminal nonapeptide trp2-tat (1-9) bound to the active site of dipeptidyl peptidase iv (cd26)

• Total interactions analyzed: 66
• Total true interactions: 11
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 193
  • Norm. En. per Res.: -4.4255
• 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	-89.8149	-113.278	-651.026	-854.1189	193	23	7	23496	10	52	39
A-F	-46.7607	-44.3043	-181.136	-272.201	95	7	1	8230	2	31	32
A-H	0.0	-1.6204	-0.5183	-2.1388	9	0	0	110	0	7	8
A-W	-15.3693	-10.0744	-109.473	-134.9166	68	7	0	4433	0	7	4
B-E	-24.9704	-53.1987	-200.48	-278.6491	93	5	3	8503	2	33	28
B-X	-9.9524	-5.1166	-107.417	-122.486	67	10	0	4592	0	5	2
C-D	-67.9858	-115.0083	-606.577	-789.5711	194	26	8	22869	8	50	39
C-G	-50.3624	-43.0297	-182.264	-275.6561	93	7	2	8122	2	32	30
C-Y	-18.0152	0.0	-109.24	-127.2552	69	4	0	4256	0	7	4
D-H	-26.2632	-42.5548	-192.717	-261.535	94	11	3	8342	1	33	32
D-Z	-15.3084	-6.83	-104.671	-126.8094	67	5	0	4214	0	7	4

Interface residues

• A-B: ALA259A, ALA259B, ALA261A, ALA261B, ALA652A, ALA652B, ALA654A, ALA654B, ALA717A, ALA717B, ALA722A, ALA722B, ALA732A, ALA732B, ALA747A, ALA747B, ARG253A, ARG253B, ARG658A, ARG658B, ARG684A, ARG684B, ASP243A, ASP243B, ASP663A, ASP663B, ASP725A, ASP725B, ASP729A, ASP729B, ASP737A, ASP737B, GLN247A, GLN247B, GLN714A, GLN714B, GLN715A, GLN715B, GLN718A, GLN718B, GLN731A, GLN731B, GLN749A, GLN749B, GLN761A, GLN761B, GLU232A, GLU237A, GLU237B, GLU244A, GLU244B, GLU660A, GLU660B, GLU699A, GLU699B, GLU738A, GLU738B, GLY260A, GLY260B, GLY705A, GLY705B, GLY727A, GLY727B, HIS704A, HIS704B, HIS712A, HIS712B, HIS748A, HIS748B, HIS750A, HIS750B, HIS754A, HIS754B, HIS757A, HIS757B, ILE236A, ILE236B, ILE703A, ILE703B, ILE719A, ILE719B, ILE742A, ILE742B, ILE751A, ILE751B, LEU235A, LEU235B, LEU246A, LEU246B, LEU701A, LEU701B, LEU702A, LEU702B, LEU723A, LEU723B, LYS250A, LYS250B, LYS258A, LYS258B, LYS721A, LYS721B, MET689A, MET689B, MET733A, MET733B, MET755A, MET755B, PHE240A, PHE240B, PHE713A, PHE713B, PHE730A, PHE730B, PHE758A, PHE758B, PRO234A, PRO234B, PRO249A, PRO249B, PRO255A, PRO255B, PRO257A, PRO257B, PRO655A, PRO655B, PRO674A, PRO674B, SER239A, SER239B, SER242A, SER242B, SER245A, SER245B, SER657A, SER657B, SER664A, SER664B, SER690A, SER690B, SER716A, SER716B, SER720A, SER720B, SER744A, SER744B, SER745A, SER745B, THR251A, THR251B, THR687A, THR687B, THR706A, THR706B, THR736A, THR736B, THR746A, THR746B, THR753A, THR753B, TRP659A, TRP659B, TRP734A, TRP734B, TYR238A, TYR238B, TYR241A, TYR241B, TYR248A, TYR248B, TYR256A, TYR256B, TYR661A, TYR661B, TYR662A, TYR662B, TYR735A, TYR735B, VAL233A, VAL233B, VAL252A, VAL252B, VAL254A, VAL254B, VAL262A, VAL262B, VAL688A, VAL688B, VAL724A, VAL724B, VAL726A, VAL726B, VAL728A, VAL728B
• A-F: ALA289A, ALA291A, ALA342A, ALA78F, ALA83F, ARG142F, ARG317A, ARG336A, ARG33F, ARG343A, ARG34F, ARG76F, ARG81F, ASN134F, ASN229A, ASN338A, ASP123F, ASP127F, ASP143F, ASP297A, ASP326A, ASP331A, ASP77F, CYS328A, CYS339A, CYS75F, GLN135F, GLN138F, GLN175F, GLN286A, GLN344A, GLU128F, GLU139F, GLU141F, GLU174F, GLU232A, GLU85F, GLU88F, GLY136F, GLY140F, GLY296A, HIS298A, HIS345A, ILE285A, ILE287A, ILE295A, ILE327A, ILE346A, ILE79F, ILE82F, LEU124F, LEU132F, LEU137F, LEU294A, LEU340A, LYS111F, LYS171F, LYS23F, LYS267A, LYS32F, LYS392A, LYS80F, MET293A, MET325A, PHE144F, PHE268A, PHE269A, PRO126F, PRO264A, PRO290A, SER131F, SER284A, SER292A, SER333A, SER334A, THR125F, THR176F, THR231A, THR265A, THR26F, THR283A, THR288A, TRP315A, TRP337A, TYR172F, TYR29F, TYR30F, TYR322A, TYR84F, VAL129F, VAL130F, VAL133F, VAL266A, VAL324A, VAL341A
• A-H: ASP338H, ASP438A, GLN435A, GLU337H, GLU342H, LYS341H, LYS441A, SER437A, THR440A
• A-W: ALA548A, ALA654A, ALA743A, ARG125A, ARG356A, ARG358A, ARG560A, ARG669A, ASN562A, ASN710A, ASP545A, ASP5W, ASP663A, CYS551A, GLN553A, GLN715A, GLU204A, GLU205A, GLU206A, GLY549A, GLY628A, GLY632A, GLY633A, GLY741A, HIS126A, HIS740A, ILE742A, LEU55A, LEU561A, LEU598A, LYS554A, MET1W, MET755A, PHE208A, PHE357A, PHE559A, PRO3W, PRO550A, PRO655A, PRO6W, SER209A, SER552A, SER630A, THR667A, TRP201A, TRP2W, TRP627A, TRP629A, TRP659A, TYR256A, TYR48A, TYR547A, TYR585A, TYR631A, TYR634A, TYR662A, TYR666A, TYR670A, TYR752A, VAL202A, VAL207A, VAL4W, VAL546A, VAL558A, VAL653A, VAL656A, VAL665A, VAL711A
• B-E: ALA289B, ALA291B, ALA342B, ALA78E, ALA83E, ARG142E, ARG317B, ARG336B, ARG33E, ARG343B, ARG34E, ARG76E, ARG81E, ASN134E, ASN229B, ASN338B, ASP123E, ASP127E, ASP143E, ASP297B, ASP326B, ASP331B, ASP77E, CYS328B, CYS339B, CYS75E, GLN135E, GLN138E, GLN175E, GLN286B, GLN344B, GLU128E, GLU139E, GLU141E, GLU232B, GLU85E, GLU88E, GLY136E, GLY140E, GLY296B, HIS298B, HIS345B, ILE285B, ILE287B, ILE295B, ILE327B, ILE346B, ILE79E, ILE82E, LEU124E, LEU132E, LEU137E, LEU294B, LEU340B, LYS111E, LYS171E, LYS23E, LYS267B, LYS32E, LYS392B, LYS80E, MET293B, MET325B, PHE144E, PHE268B, PHE269B, PRO126E, PRO264B, PRO290B, SER131E, SER284B, SER292B, SER333B, SER334B, THR125E, THR176E, THR231B, THR265B, THR26E, THR283B, THR288B, TRP337B, TYR172E, TYR29E, TYR30E, TYR322B, TYR84E, VAL129E, VAL130E, VAL133E, VAL266B, VAL324B, VAL341B
• B-X: ALA548B, ALA654B, ALA743B, ARG125B, ARG356B, ARG358B, ARG560B, ARG669B, ASN562B, ASN710B, ASP5X, ASP663B, ASP739B, CYS551B, GLN553B, GLN715B, GLU204B, GLU205B, GLU206B, GLY549B, GLY632B, GLY633B, GLY741B, HIS126B, HIS740B, HIS748B, ILE742B, ILE751B, LEU49B, LEU561B, LEU598B, LYS554B, MET1X, PHE208B, PHE357B, PRO3X, PRO550B, PRO655B, PRO6X, SER209B, SER552B, SER630B, THR667B, TRP201B, TRP2X, TRP563B, TRP627B, TRP629B, TRP659B, TYR256B, TYR48B, TYR547B, TYR585B, TYR631B, TYR634B, TYR662B, TYR666B, TYR670B, TYR752B, VAL202B, VAL207B, VAL4X, VAL558B, VAL653B, VAL656B, VAL665B, VAL711B
• C-D: ALA259C, ALA259D, ALA261C, ALA261D, ALA652C, ALA652D, ALA654C, ALA654D, ALA717C, ALA717D, ALA722C, ALA722D, ALA732C, ALA732D, ALA747C, ALA747D, ARG253C, ARG253D, ARG658C, ARG658D, ARG684C, ARG684D, ASP243C, ASP243D, ASP663C, ASP663D, ASP725C, ASP725D, ASP729C, ASP729D, ASP737C, ASP737D, GLN247C, GLN247D, GLN714C, GLN714D, GLN715C, GLN715D, GLN718C, GLN718D, GLN731C, GLN731D, GLN749C, GLN749D, GLN761C, GLN761D, GLU232C, GLU237C, GLU237D, GLU244C, GLU244D, GLU660C, GLU660D, GLU699C, GLU699D, GLU738C, GLU738D, GLY260C, GLY260D, GLY705C, GLY705D, GLY727C, GLY727D, HIS704C, HIS704D, HIS712C, HIS712D, HIS748C, HIS748D, HIS750C, HIS750D, HIS754C, HIS754D, HIS757C, HIS757D, ILE236C, ILE236D, ILE703C, ILE703D, ILE719C, ILE719D, ILE742C, ILE742D, ILE751C, ILE751D, LEU235C, LEU235D, LEU246C, LEU246D, LEU701C, LEU701D, LEU702C, LEU702D, LEU723C, LEU723D, LYS250C, LYS250D, LYS258C, LYS258D, LYS721C, LYS721D, MET689C, MET689D, MET733C, MET733D, MET755C, MET755D, PHE240C, PHE240D, PHE713C, PHE713D, PHE730C, PHE730D, PHE758C, PHE758D, PRO234C, PRO234D, PRO249C, PRO249D, PRO255C, PRO255D, PRO257C, PRO257D, PRO655C, PRO655D, PRO674C, PRO674D, SER239C, SER239D, SER242C, SER242D, SER245C, SER245D, SER657C, SER657D, SER664C, SER664D, SER690C, SER690D, SER716C, SER716D, SER720C, SER720D, SER744C, SER744D, SER745C, SER745D, THR251C, THR251D, THR687C, THR687D, THR706C, THR706D, THR736C, THR736D, THR746C, THR746D, THR753C, THR753D, TRP659C, TRP659D, TRP734C, TRP734D, TYR238C, TYR238D, TYR241C, TYR241D, TYR248C, TYR248D, TYR256C, TYR256D, TYR661C, TYR661D, TYR662C, TYR662D, TYR700C, TYR735C, TYR735D, VAL233C, VAL233D, VAL252C, VAL252D, VAL254C, VAL254D, VAL262C, VAL262D, VAL688C, VAL688D, VAL724C, VAL724D, VAL726C, VAL726D, VAL728C, VAL728D
• C-G: ALA289C, ALA291C, ALA342C, ALA78G, ALA83G, ARG142G, ARG317C, ARG336C, ARG33G, ARG343C, ARG34G, ARG76G, ARG81G, ASN134G, ASN229C, ASN338C, ASP123G, ASP127G, ASP143G, ASP297C, ASP326C, ASP331C, ASP77G, CYS328C, CYS339C, CYS75G, GLN135G, GLN138G, GLN175G, GLN286C, GLN344C, GLU128G, GLU139G, GLU141G, GLU174G, GLU232C, GLU85G, GLU88G, GLY136G, GLY140G, GLY296C, HIS298C, HIS345C, ILE285C, ILE287C, ILE295C, ILE327C, ILE346C, ILE79G, ILE82G, LEU124G, LEU132G, LEU137G, LEU294C, LEU340C, LYS171G, LYS23G, LYS267C, LYS32G, LYS392C, LYS80G, MET293C, MET325C, PHE144G, PHE269C, PRO126G, PRO264C, PRO290C, SER131G, SER284C, SER292C, SER323C, SER333C, SER334C, THR125G, THR176G, THR231C, THR265C, THR26G, THR283C, THR288C, TRP337C, TYR172G, TYR29G, TYR30G, TYR322C, TYR84G, VAL129G, VAL130G, VAL133G, VAL266C, VAL324C, VAL341C
• C-Y: ALA548C, ALA654C, ALA743C, ARG125C, ARG356C, ARG358C, ARG560C, ARG669C, ASN562C, ASN710C, ASP545C, ASP5Y, ASP663C, CYS551C, GLN553C, GLN715C, GLU204C, GLU205C, GLU206C, GLY549C, GLY628C, GLY632C, GLY633C, GLY741C, HIS126C, HIS740C, HIS748C, ILE742C, LEU55C, LEU561C, LEU57C, LEU598C, LYS554C, MET1Y, MET755C, PHE208C, PHE357C, PRO3Y, PRO550C, PRO655C, PRO6Y, SER209C, SER552C, SER630C, THR667C, TRP201C, TRP2Y, TRP627C, TRP629C, TRP659C, TYR256C, TYR48C, TYR547C, TYR585C, TYR631C, TYR634C, TYR662C, TYR666C, TYR670C, TYR752C, VAL202C, VAL207C, VAL4Y, VAL546C, VAL558C, VAL653C, VAL656C, VAL665C, VAL711C
• D-H: ALA289D, ALA291D, ALA342D, ALA78H, ALA83H, ARG142H, ARG317D, ARG336D, ARG33H, ARG343D, ARG34H, ARG76H, ARG81H, ASN134H, ASN229D, ASN338D, ASP123H, ASP127H, ASP143H, ASP297D, ASP326D, ASP331D, ASP77H, CYS328D, CYS339D, CYS75H, GLN135H, GLN138H, GLN175H, GLN286D, GLN344D, GLU128H, GLU139H, GLU141H, GLU232D, GLU85H, GLU88H, GLY136H, GLY140H, GLY296D, HIS298D, HIS345D, ILE285D, ILE287D, ILE295D, ILE327D, ILE346D, ILE79H, ILE82H, LEU124H, LEU132H, LEU137H, LEU294D, LEU340D, LYS171H, LYS23H, LYS267D, LYS32H, LYS392D, LYS80H, MET293D, MET325D, PHE144H, PHE269D, PHE86H, PRO126H, PRO264D, PRO290D, SER131H, SER284D, SER292D, SER323D, SER333D, SER334D, THR125H, THR176H, THR231D, THR265D, THR26H, THR283D, THR288D, TRP315D, TRP337D, TYR172H, TYR29H, TYR30H, TYR322D, TYR84H, VAL129H, VAL130H, VAL133H, VAL266D, VAL324D, VAL341D
• D-Z: ALA548D, ALA654D, ALA743D, ARG125D, ARG356D, ARG358D, ARG560D, ARG669D, ASN562D, ASN710D, ASP5Z, ASP663D, CYS551D, GLN553D, GLN715D, GLU204D, GLU205D, GLU206D, GLY549D, GLY628D, GLY632D, GLY633D, GLY741D, HIS126D, HIS740D, HIS748D, ILE742D, LEU55D, LEU561D, LEU57D, LEU598D, LYS554D, MET1Z, MET755D, PHE208D, PHE357D, PRO3Z, PRO550D, PRO655D, PRO6Z, SER209D, SER552D, SER630D, THR667D, TRP201D, TRP2Z, TRP627D, TRP629D, TRP659D, TYR256D, TYR48D, TYR547D, TYR585D, TYR631D, TYR634D, TYR662D, TYR666D, TYR670D, TYR752D, VAL202D, VAL207D, VAL4Z, VAL546D, VAL558D, VAL653D, VAL656D, VAL711D