Transcript Prezentacja programu PowerPoint

Przegląd ostatnich badań naukowych
oraz prac na rzecz centrów doskonałości
europejskiego „MAMBA”
i
krajowego „BioExploratorium”
Bogdan Lesyng
ICM and Wydział Fizyki,
Uniwersytet Warszawski
(http://www.icm.edu.pl/~lesyng/)
•Koordynowane przeze mnie gridowe programy
europejskie:
- EUROGRID,
- GRIP.
•Prace przygotowawcze w celu możliwie
najbardziej efektywnego wykorzystania w ICM
nowych platform obliczeniowych.
•Centra doskonałości.
•Przegląd głównego nurtu badań realizowanego
•W ICM („z lotu ptaka”).
•Edukacja.
Uwaga dotycząca pewnej wizji rozwoju u nas technologii gridowych
Obecnie mamy kilka środowisk gridowych, m.in..:
-świat środowiska gridowego GLOBUS (USA i inne kraje) - na tym
środowisku bazuje m.in. projekt europejski EGEE
-świat środowiska gridowego UNICORE (głównie Europa)- na tym
środowisku bazuje m.in. projekt europejski UNIGRIDS
-Słabość wielu projektów: brak ważnych z naukowego punktu
widzenia aplikacji oraz trudność w tworzeniu własnego,
zindywidualizowanego środowiska pracy („prawdziwy e-science”)
-Wolfram Research (Mathematica) proponuje pewne rozwiązanie
tworząc środowisko Grid-Mathematica.
-Cel: „interoperability” Grid-Mathematica z innymi środowiskami
gridowymi, w tym bazującymi i/lub wykorzystującymi GLOBUSa
oraz UNICOREa. Realna możliwość włączenia się nas do tego
potencjalnie strategicznego projektu.
Instalacja i optymalizacja kodu kwantowej dynamiki Cara-Parrinello
na klastrze Halo oraz Cray X1e – prace na rzecz KDM oraz własnego zespołu
Ł.Walewski, M.Łopuszyński,...P.Bała,B.Lesyng
Strategia badań w obszarach wieloskalowanego
modelowania i bioinformatyki
Sequences
at the protein &
nucleic acids levels
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RPDFCLEPPY
TGPCKARIIR
YFYNAKAGLC
QTFVYGGCRA
KRNNFKSAED
CMRTCGGA
Metabolic
pathways &
signalling
3D & electronic
structure
Function
Dynamics,
classical and/or
quantum one in
the real
molecular
environment
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Sub-cellular
structures & processes
Cell(s),
structure(s)
&
functions
Konferencje i warsztaty 2004/05
w ramach europejskiego CD MAMBA
Osoba organizująca
Konferencja (K)
Workshop (W)
Miejsce i data
P.Zielenkiewicz
Bioinformatics, Metabolic Pathways and
Structural Biology (W)
Warszawa
maj 13-16, 2004
M.Niezgódka
Computational Approaches to Prediction of
Structure Formation Phenomena (W)
Warszawa
wrzesień 6-10, 2004
M.Niezgódka
Complex Processes: Modelling, Simulation
and Optimisation (W)
Będlewo
listopad 4-7, 2004
P.Bała
Advanced Course in Grid Technologies and
Biomolecular/ Bioinformatics Applications (W)
Kraków
grudzień 12, 2004
A.Jerzmanowski
Gene expression and silencing in plants –
from model to crop (W)
Radzików
marzec 9-13, 2005
J.Leluk
Proteins: Sequence-Structure-Function
Relations; Theoretical and Experiment
Approach (K)
The 4th International Conference on Inhibitors
of Protein Kinases (K)
Warszawa
kwiecień 6-10, 2005
Microscopic and Mesoscopic Modelling of
Specific Molecular Recognition Processes (W)
Warszawa
czerwiec 29, 2005
B.Lesyng
B.Lesyng
Warszawa
czerwiec 25-29, 2005
BioExploratorium - drugie w ICM oprócz MAMBy centrum doskonałości,
pozytywna decyzja KBN z 16/09/2004
W skład CD wchodzą zespoły badawcze kierowane przez:
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prof. dr hab. Bogdan Lesyng, ICM oraz Wydział Fizyki UW – kierownik
dr hab. Jan Antosiewicz, Wydział Fizyki UW
dr hab. Piotr Bała, Instytut Informatyki UMK oraz ICM UW
prof. dr hab. Katarzyna Blinowska, Wydział Fizyki UW
prof. dr hab. Andrzej Jerzmanowski, Wydział Biologii UW oraz IBB PAN
doc. dr hab. Andrzej Kawczyński, IChF PAN
dr hab. Jacek Leluk, ICM UW
prof. dr hab. Piotr Stępnień, Wydział Biologii UW oraz IBB PAN
prof. dr hab. Jerzy Tiuryn, Wydział Matematyki, Informatyki i Mechaniki UW
prof. dr hab. Piotr Zielenkiewicz, IBB PAN oraz Wydział Biologii UW
Podjęte działania:
•
17.12. 2004 - złożenie w MNiI wniosku inwestycyjnego z wykorzystaniem funduszy
strukturalnych, pt. „Budowa Laboratorium Projektowania Molekularnego oraz
Zastosowań Genomiki i Proteomiki” zawierającego m.in. serwery obliczeniowo –
bazodanowe oraz system wirtualnej rzeczywistości, na łączną kwotę 1 996 000 PLN.
Wniosek spełnił wymagania formalne i jest w trakcie oceny.
•
16.05 2004 r – złożenie oferty na wykonanie projektu badawczego-zamawianego:
„Inhibitory kinaz białkowych jako potencjalne leki przeciwnowotworowe
i przeciwwirusowe”, na łączną kwotę 2 966 892 PLN.
New initiative
2003
2004
2005
2006
BioExploratorium
New research groups joined us:
• Prof. J.Tiuryn
• Prof. K. Blinowska
- basic studies in bioinformatics,
- detection of signals, including
weak signals, and processing them.
• Prof. A. Kawczynski - simulations of chemical kinetics and
metabolic pathways.
We have already got a grant (2 mln PLN) : virtual laboratory
for molecular design, workstations, PCRs, specrofotometers.
We have also submitted other applications.
Przykłady ważniejszych kierunków badań
1. Konstrukcja szybkich kwantowych generatorów energii potencjalnej dla
układów (bio)molekularnych oraz rozwijanie metod klasycznej, kwantowej i
kwantowo-klasycznej dynamiki molekularnej. W szczególności, konstrukcja i
zastosowania symplektycznych algorytmów dynamiki molekularnej.
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L.Walewski, P. Bala, M. Elstner, Th. Frauenheim, B. Lesyng, Fast QM/MM
Method and Its Application to Molecular Systems, Chem. Phys. Lett, 397,
2004, 451-458
P.Grochowski & B.Lesyng, Extended Hellmann-Feynman Forces, Canonical
Representations, and Exponential Propagators in the Mixed QuantumClassical Molecular Dynamics, J. Chem. Phys., 119, 2003, 11541-11555.
Stabilność symplektycznych algorytmów MD pozwala na realizację
bardzo długich symulacji pozwalających nawet na zwijanie białek w skali
mikrosekund !
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M.Khalili, A.Liwo, F.Rakowski, P.Grochowski & H.Scheraga, Molecular
Dynamics with the UNRES Model of Polypeptide Chains. Lagrange Equations
of Motion and Tests of Numerical Stabilityin the Microcanonical Mode, J.
Phys. Chem., in press
Microscopic generators of the potential
energy function
• AVB
• AVB/GROMOS
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•
•
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SCC-DFTB
- (quantum)
SCC-DFTB/GROMOS - (quantum-classical)
SCC-DFTB/CHARMM - (quantum -classical)
....
Dynamics
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•
•
– (quantum)
- (quantum-classical)
MD (classical)
QD (quantum)
QCMD (quantum-classical)
Dynamika Cara-Parrinello
Mesoscopic potential energy functions
•Poisson-Boltzmann (PB)
•Generalized Born (GB)
•....
Symplektyczne algorytmy dynamiki molekularnej
2. Elektrostatyczne pola w mezoskopowych układach
biomolekularnych i wynikające z nich właściwości
fizykochemiczne
M.Wojciechowski & B.Lesyng, Generalized Born model: Analysis,
Refinement and Applications to Proteins, J. Phys. Chem. B, 108,
2004, 18368-18376
Potencjalnie możliwość wykorzystania wyników badań również w
nanoukładach
3. Udokładnianie eksperymentalnych struktur układów
biomolekularnych z wykorzystaniem metod równania
Poissona-Boltzmanna oraz analiza mechanizmów ich działania
P.Setny & M.Geller, Refinement of X-ray data on dual co-substrate
specificity of the CK2 kinase by free energy calculations based on
molecular dynamics simulation, Proteins: Structure, Function, and
Bioinformatics 58 (2005) 511–517
J.A.McCammon
i współpracownicy
Protonation equilibria in proteins
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Ratio of the GB solvation enery to the Kirkwood solvation energy
4. Mechanika i dynamika molekularna bardzo dużych
układow biomolekularncyh m.in. rybosoów (kilkadziesiąt
tysięcy atomów).
Większość prac Joanny Trylskiej zrealizowana została na stażu u prof.
J.A. McCammona na UCSD i kontynuowana jest w Warszawie.
5. Bioinformatyka. NeoLinneuszowskie modele w zastostosowaniu do klasyfikacji białek
Przykład: A. Meglicz, J.Leluk, B.Lesyng, Protein Inhibitors of Kinases-
Homology Analysis, Mechanisms of Differentiation and Correlated
Mutations, Eur. J. Biochem, 271, 30, 2004 (XXIX FEBS Congress) oraz
wykład dr hab. Jacka Leluka na IPK2005.
Multiple alignment of the cAMP
inhibitor family
Q90641------------MTDVESTYADFIASGRTGRRNALHDILVSSPGGNSSELA--L-KL-S-ELDINKAEGEGDAQ-RNPSEQTGEAQGEAAKQES----------NP_032888.1-------MTDVETTYADFIASGRTGRRNAIHDILVSSASGNSNELA--L-KL--AGLDINKTEGEDDGQ-RSSTEQSGEAQGEAAKSES----------NP_006814.1-------MTDVETTYADFIASGRTGRRNAIHDILVSSASGNSNELA--L-KL--AGLDINKTEGEEDAQ-RSSTEQSGEAQGEAAKSES----------AAA72716.1--------GTDVETTYADFIASGRTGRRNAIHDILVSSASGNSNELA--L-KL--AGLDINKTEGEEDAQ-RSSTEQSGEAQGEAAKSES----------AAD30289.1--------MTDVESTYADFIASGRTGRRNALHDILVSSPGGNSSELA--L-KL-S-ELDINKA-------------------------------------OKRBCI ------------TDVETTYADFIASGRTGRRNAIHDILVSSASGNSNELA--L-KL--AGLDINKTEGEEDAQ-RSSTEQSGEAQGEAAKSES----------NP_036759.1-------MTDVESVISSFASSARAGRRNALPDIQSSLATGGSPDLA--L-KL--EALAV-K----EDAK-MKN-EEKD--QGQPKKPLDEDK-------AAQ17070.1--------MMEVESSYSDFISCDRTGRRNAVPDIQGDSEAVSVRKLAGDMGELALEG-AEGQAEGGTPDKEASN--QP---QSSDGTTSS----------AAL90456.1--------MTDVESVISSFASSARAGRRNALPDIQSSLATGGSPDLA--L-KL--EALAV-K----EDAK-MKN-EEKD--QGQP-KPLDEDK-------NP_035236.1-------MMEVESSYSDFISCDRTGRRNAVPDIQGDSEAVSVRKLAGDMGELALEG-AEGQAEGSTPDKEASS--QP---ESSDANTSS----------NP_008997.1-------MMEVESSYSDFISCDRTGRRNAVPDIQGDSEAVSVRKLAGDMGELALEG-AEGQVEGSAPDKEAGN--QP---QSSDGTTSS----------AAQ04718.1--------MMEVESSYSDFISCDRTGRRNAVPDIQGDSEAVSVRKLA--G-DM--GELAL---EGA----------------------------------NP_115860.1-------MTDVESGVANFASSARAGRRNALPDIQSSAATDGTSDLP--L-KL--EALSV-K----EDAKEKD--EKTT--QDQLEKPQNEEK-------AAQ17071.1--------MMEVESSYSDFISCDRSGRRNAVPDIQGDSEAVSVRKLAGDMGELALEG-AEGQAEVGTSDKEASS--QP---ESSDGTTSS----------AAH61162.1--------MTDVESVITSFASSARAGRRNALPDIQSSLATSGSSDLP--L-KL--EALAV-K----EDAK-TKN-EEKD--QGQPKTPLNEGKKKKKKKKK
Q04758------------MTDVESVITSFASSARAGRRNALPDIQSSLATSGSSDLP--L-KL--EALAV-K----EDAK-TKN-EEKD--QGQPKTPLNEGK-------NP_032889.2-------MTDVESVITSFASSARAGRRNALPDIQSSLATSGSSDLP--L-KL--EALAV-K----EDAK-TKN-EEKD--QGQPKTPLNEGK-------O70139------------MMEVESSYSDFISCDRTGRRNAVPDIQGDSEAVSVRKLAGDMGELALEG-AEGQAEGSTPDKEASS--QP---ESS----------------P04541------------MTDVETTYADFIASGRTGRRNAIHDILVSSASGNSNELA--L-KL--AGLDINKTEGEEDAQ-RSSTEQSGEAQGEAAKSES----------P27776------------MTDVETTYADFIASGRTGRRNAIHDILVSSASGNSNELA--L-KL--AGLDINKTEGEDDGQ-RSSTEQSGEAQGE----------------NP_861460.1-------MTDVESGVANFASSARAGRRNALPDIQSSAATDGTSDLP--L-KL--EALSV-K----EDAKEKD--EKT--TQDQLEKPQNEEK-------NP_861459.1-------MTDVESGVANFASSARAGRRNALPDIQSSAATDGTSDLP--L-KL--EALSV-K----EDAKEKD--EKT--TQDQLEKPQNEEK-------NP_862822.1-------MTDVETTYADFIASGRTGRRNAIHDILVSSASGNSNELA--L-KL--AGLDINKTEGEEDAQ-RSSTEQSGEAQGEAAKSES----------NP_861521.1-------MMEVESSYSDFISCDRTGRRNAVPDIQGDSEAVSVRKLAGDMGELALEG-AEGQVEGSAPDKEAGN--QP---QSSDGTTSS----------NP_861520.1-------MMEVESSYSDFISCDRTGRRNAVPDIQGDSEAVSVRKLAGDMGELALEG-AEGQVEGSAPDKEAGN--QP---QSSDGTTSS----------NP_703199.1-------MMEVESSYSDFISCDRTGRRNAVPDIQGDSEAVSVRKLAGDMGELALEG-AEGQAEGSTPDKEASS--QP---ESSDANTSS----------NP_446224.1-------MTDVETTYADFIASGRTGRRNAIHDILVSSASGNSNELA--L-KL--AGLDINKTEGEDDGQ-RSSTEQSGEAQGEAAKSES----------AAH36011.1--------MTDVESGVANFASSARAGRRNALPDIQSSAATDGTSDLP--L-KL--EALSV-K----EDAKEKDE--KT--TQDQL---------------AAH22265.1--------MTDVETTYADFIASGRTGRRNAIHDILVSSASGNSNELA--L-KL--AGLDINKTEGEEDAQ-RSSTEQSGEAQGEAAKSES----------AAH48244.1--------MTDVETTYADFIASGRTGRRNAIHDILVSSASGNSNELA--L-KL--AGLDINKTEGEDDGQ-RSSTEQSGEAQGEAAKSES----------Q9C010------------MTDVESGVANFASSARAGRRNALPDIQSSAATDGTSDLP--L-KL--EALSV-K----EDAKEKDE--KTTQDQL--EKPQNEEK-------P27775------------MTDVESVISSFASSARAGRRNALPDIQSSLATGGSPDLA--L-KL--EALAV-K----EDAK-MKN-EEKD--QGQPKKPLDEDK-------AAA40867.1--------MTDVETTYADFIASGRTGRRNAIHDILVSSASGNSNELA--L-KL--AGLDINKTEGEDDGQ-RSSTEQSGEAQGE----------------Q9Y2B9------------MMEVESSYSDFISCDRTGRRNAVPDIQGDSEAVSVRKLAGDMGELALEG-AEGQVEGSAPDKEAGN--QP---QSS----------------JC4128------------MTDVESTYADFIASGRTGRRNALHDILVSSPGGNSSELA--L-KL-S-ELDINKAEGEGDAQ-RNPSEQTGEAQGEAAKQES----------B46707------------MTDVESVITSFASSARAGRRNALPDIQSSLATSGSSDLP--L-KL--EALAV-K----EDAK-TKN-EEKD--QGQPKTPLNEGK-------A40962------------MTDVESVISSFASSARAGRRNALPDIQSSLATGGSPDLA--L-KL--EALAV-K----EDAK-MKN-EEKD--QGQPKKPLDEDK-------A40536------------MTDVETTYADFIASGRTGRRNAIHDILVSSASGNSNELA--L-KL--AGLDINKTEGEDDGQ-RSSTEQSGEAQGE----------------OKRBCI ------------TDVETTYADFIASGRTGRRNAIHDILVSSASGNSNELA--L-KL--AGLDINKTEGEEDAQ-RSSTEQSGEAQGEAAKSES----------AAK00638.1--------MTDVESGVANFASSARAGRRNALPDIQSSAATDGTSDLP--L-KL--EALSV-K----EDAKEKDE--KTTQDQL-----------------AAD55445.1--------MMEVESSYSDFISCDRTGRRNAVPDIQGDSEAVSVRKLAGDMGELALEG-AEGQVEGSAPDKEAGN--QP---QSSDGTTSS----------AAC09065.1--------MMEVESSYSDFISCDRTGRRNAVPDIQGDSEAVSVRKLAGDMGELALEG-AEGQAEGSTPDKEASS--QP---ESS----------------AAB59678.1--------MTDVESVITSFASSARAGRRNALPDIQSSLATSGSSDLP--L-KL--EALAV-K----EDAK-TKN-EEKD--QGQPKTPLNEGK-------AAA86697.1--------MTDVESTYADFIASGRTGRRNALHDILVSSPGGNSSELA--L-KL-S-ELDINKAEGEGDAQ-RNPSEQTGEAQGE-----------------
Multiple alignment of the Cip
inhibitor family
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19
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O19002
AAH01935.1
NP_000380.1
AAG15411.1
NP_031695.1
NP_542960.1
AAC27627.1
AAN63876.1
I51683
CAA59284.1
AAF69497.1
NP_004055.1
AAC59775.1
NP_034005.1
Q60439
P46529
NP_113950.1
BAA19960.1
O19001
BAB39725.1
AAM22491.1
BAA11015.1
NP_000067.1
CONSENSUS
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-------------MSEPSRDAHQIPHG-SKACRRLFGPVDSEQLRRDCDALMAGCVQEARER-WNFDFVTETPLEGDFAW
-------------MSEPAGDVRQNPCG-SKACRRLFGPVDSEQLRRDCDALMAGCIQEARER-WNFDFVTETPLEGDFAW
-------------MSEPAGDVRQNPCG-SKACRRLFGPVDSEQLSRDCDALMAGCIQEARER-WNFDFVTETPLEGDFAW
-------------MSEPAGDVRQNPCG-SKACRRLFGPVDSEQLSRDCDALMAGCIQEARER-WNFDFVTETPLEGDFAW
-------------MSNP-GDVRPVPHR-SKVCRCLFGPVDSEQLRRDCDALMAGCLQEARER-WNFDFVTETPLEGNFVW
-------------MS-DPGDVRPVPHR-SKVCRRLFGPVDSEQLSRDCDALMASCLQEARER-WNFDFATETPLEGNYVW
---------------------------------------------------------------WNLDLGTETPLEGDFVW
-----------------------MPCS-SKACRNLFGPVDHEQIQNDFEQLLRQQLEEA-QRRWNFNFETETPLEGHFKW
MAAFHIALQEEMIVASPAALPRLSLGTGRGACRNLFGPIDHDELRSELKRQLKEIQASDCQR-WNFDFESGTPLKGTFCW
MSNVRVSNGSPSLERMDA---RQAEHPKPSACRNLFGPVDHEELTRDLEKHCRDMEEAS-QRKWNFDFQNHKPLEGKYEW
MSNVRVSNGSPSLERMDA---RQAEHPKPSACRNLFGPVDHEELTRDLEKHCRDMEEAS-QRKWNFDFQNHKPLEGKYEW
MSNVRVSNGSPSLERMDA---RQAEHPKPSACRNLFGPVDHEELTRDLEKHCRDMEEAS-QRKWNFDFQNHKPLEGKYEW
MAAFHIALQEEMISAP-AVLPRLSAGTGRGACRNLFGPIDHDEMRSELKRQLKEIQASDCQR-WNFDFETGTPLKGIFCW
MSNVRVSNGSPSLERMDA---RQADHPKPSACRNLFGPVNHEELTRDLEKHCRDMEEAS-QRKWNFDFQNHKPLEGRYEW
MSNVRVSNGSPSLERMDA---RQAEHPKPSACRNLFGPVNHEELTRDLEKHCRDMEEAS-QRKWNFDFQNHNPLEGRYQW
MSNVRVSNGSPSLERMDA---RQAEYPKPSACRNLFGPVNHEELTRDLEKHRRDMEEAS-QRKWNFDFQNHKPLEGKYEW
MSNVRVSNGSPSLERMDA---RQTEHPKPSACRNLFGPVNHEELTRDLEKHCRDMEEAS-QRKWNFDFQNHKPLEGRYEW
MSNVRVSNGSPSLERMDA---RQTEHPKPSACRNLFGPVNHEELTRDLEKHCRDMEEAS-QRKWNFDFQNHKPLEGRYEW
MSNVRVSNGSPSLERMDA---RQAEYPKPSACRNLFGPVNHEELTRDLEKHCRDMEEAS-QRKWNFDFQNHKPLEGKYEW
MSNVRVSNGSPSLERMDA---RQAEYPKPSACRNLFGPVNHEELTRDLEKHCRDMEEAS-QRKWNFDFQNHKPLEGKYEW
MSNVRISNGSPTLERMEA---RQSEYPKPSACRNLFGPVNHEELNRDLKKHRKEMEEAC-QRKWNFDFQNHKPLEGRYEW
------------MERLVARGTFPVLVRT-SACRSLFGPVDHEELSRELQARLAELNAED-QNRWDYDFQQDMPLRGPGRL
MSDASLRSTS-TMERLVARGTFPVLVRT-SACRSLFGPVDHEELSRELQARLAELNAED-QNRWDYDFQQDMPLRGPGRL
MSNVRXSNGSPXLERMDA---RQXXXPKPSACRNLFGPVDHEELXRDLEKHXRXMEEAX-QRKWNFDFQNHXPLEGXYXW
Multiple alignment of the Ink4
inhibitor family
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44
45
46
NP_001791.1
AAA85436.1
A57378
Q60773
NP_034008.1
CAC12811.1
NP_571977.1
AAL76343.1
NP_031696.1
AAD00236.1
AAD00231.1
AAD00227.1
AAD00229.1
AAD00228.1
AAD00230.1
P51480
AAC08963.1
AAC08962.1
AAB39600.1
NP_113738.1
AAG44950.1
AAG59801.1
NP_031697.1
NP_570825.1
CAC67498.1
NP_004927.2
AAA50282.1
CAC87045.1
AAC97110.1
CAC87046.1
CAB65454.1
BAA33541.1
BAA33540.1
CAB65455.1
P42771
NP_000068.1
AAB60645.1
NP_478103.1
AAD14050.1
2002364A
AAB32713.1
AAG01087.1
AAD00232.1
AAB94534.1
O77617
NP_478104.1
CONSENSUS
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EVRAGDRLSGAAARGDVQEVRRLLHRELV-HPDALNRFGKTALQVMMFGSTAIALELLKQGASPNVQDTSGTS-PVHDAARTGFLDTLKVLVEH--GADVNVPDGTGALPIHLAVQEGHTAVVSFLAAES--DLHRRDARGLTP
EVRAGDRLSGAAARGDVQEVRRLLHRELV-HPDALNRFGKTALQVMMFGSTAIALELLKQGASPNVQDTSGTS-PVHDAARTGFLDTLKVLVEH--GADVNVPDGTGALPIHLAVQEGHTAVVSFLAAES--DLHRRDARGLTP
EVRAG-TLSGAAARGDVQEVRRLLHRELV-HPDALNRFGKTALQVMMFGSTAIALELLKQGASPNVQDTSGTS-PVHDAARTGFLDTLKVLVEH--GADVNVPDGTGALPIHLAVQEGHTAVVSFLAAES--DLHRRDARGLTP
EVCVGDRLSGARARGDVQEVRRLLHRELV-HPDALNRFGKTALQVMMFGSPAVALELLKQGASPNVQDASGTS-PVHDAARTGFLDTLKVLVEH--GADVNALDSTGSLPIHLAIREGHSSVVSFLAPES--DLHHRDASGLTP
EVCVGDRLSGARPRGDVQEVRRLLHRELV-HPDALNRFGKTALQVMMFGSPAVALELLKQGASPNVQDASGTS-PVHDAARTGFLDTLKVLVEH--GADVNALDSTGSLPIHLAIREGHSSVVSFLAPES--DLHHRDASGLTP
QMDAGKALAAAAAKGRTSEVQRILEECRV-PPDTRNEFGKTALQVMMLGNCKIASLLLEKGADPNVQDKHGIA-PVHDAARTGFLDTLQVLVEY--GASVNLPDQSGALPIHIAIREGHRDVVEFLAPRS--DLKHANKSGQTA
EPWGNE-LASAAARGDLEQLTSLLQNN-V-NVNAQNGFGRTALQVMKLGNPEIARRLLLRGANPNLKDRTGFA-VIHDAARAGFLDTVQALLEFQ--ADVNIEDNEGNLPLHLAAKEGHLPVVEFLMKHTACNVGHRNHKGDTA
EPWGNE-LASAAARGDLEQLTSLLQNN-V-NVNAQNGFGRTALQVMKLGNPEIARRLLLRGANPNLKDRTGFA-VIHDAARAGFLDTVQALLEFQ--ADVNIEDNEGNLPLHLAAKEGHLPVVEFLMKHTACNVGHRNHKGDTA
GGSSDAGLATAAARGQVETVRQLLEAGADPNAL--NRFGRRPIQVMMMGSAQVAELLLLHGAEPNCADPATLTRPVHDAAREGFLDTLVVLHRA--GARLDVCDAWGRLPVDLAEEQGHRDIARYLHAATG-D------------------------------------------------------VMMMGNVHVAALLLNYGADSNCEDPTTFSRPVHDAAREGFLDTLVVLHGS--GARLDVRDAWGRLPLDLAQERGHQDIVRYLRSAGC-SLCSAGWSLCTA
--------------------------------------------VMMMGNVHIAALLLNYGADSNCEDPTTFSRPVHDAAREGFLDTLVVLHGS--GARLDVRDAWGRL-LDLAQERGHQDIVRYLRSAGC-SLCSAGWSLCTA
--------------------------------------------VMMMGNVHVAALLLNYGADSNCEDPTTFSRPVHDAAREGFLDTLVVLQGS--GARLDVRDAWGRLPLDLAQERGHQDIVRYLRSAGS-SLCSAGWSLCTA
--------------------------------------------VMMMGNVHVAALLLNYGADSNCEDPTTFSRPVHDAAREGFLDTLVVLQGS--GARLDVRDAWGRLPLDLAQERGHQDIVRYLRSAGW-SLCSAGWSLCTA
--------------------------------------------VMMMGNVHIAALLLNYGADSNCEDPTTFSRPVHDAAREGFLDTLVVLQGS--GARLDVRDAWGRLPLDLAQERGHQDIVRYLRSAGS-SLCSAGWSLCTA
--------------------------------------------VMMMGNVHVAALLLNYGADSNCEDPTTFSRPVHDAAREGFLDTLLVLHGS--GARLDVRDAWGRLPLDLAQERGHQDIVRYLRSAGW-SLCSAGWSLCTA
MESAADRLARA-AQGRVHDVRALLEAGVSPNAP--NSFGRTPIQVMMMGNVHVAALLLNYGADSNCEDPTTFSRPVHDAAREGFLDTLVVLHGS--GARLDVRDAWGRLPLDLAQERGHQDIVRYLRSAGC-SLCSAGWSLCTA
MESAADRLARAAAQGRVHDVRALLEAGVSPNAP--NSFGRTPIQVMMMGNVHVAALLLNYGADSNCEDPTTFSRPVHDAAREGFLDTLVVLHGS--GARLDVRDAWGRLPLDLAQERGHQDIVRYLRSAGC-SLCSAGWSLCTA
MESAADRLARAAAQGRVPDVRALLEAGVSPNAP--NSFGRTPIQVMMMGNVHIAALLLNYGADSNCEDPTTFSRPVHDAAREGFLDTLVVLHGS--GARLDVRDAWGRLPLDLAQERGHQDIVRYLRSAGC-SLCSAGWSLCTA
MESAADRLARAAAQGRVHDVRALLEAGVSPNAP--NSFGRTPIQVMMMGNVHVAALLLNYGADSNCEDPTTFSRPVHDAAREGFLDTLVVLHGS--GARLDVRDAWGRLPLDLAQERGHQDIVRYLRSAGC-SLCSAGWSLCTA
MESSADRLARAAALGREHEVRALLEAGASPNAP--NTFGRTPIQVMMMGNVKVAALLLSYGADSNCEDPTTLSRPVHDAAREGFLDTLVVLH--QAGARLDVRDAWGRLPLDLALERGHHDVVRYLR-----------YLLSSA
MEPSADGLARAAAQGREQEVRALLEAGVSPNAP--NCFGRTPIQVMMMGNTQVARLLLLYGAEPNCEDPATLSRPVHDAAREGFLETLAILH--QAGARLDVLDARGRLPVDLALERGHCDVVQYLRAAGN-TPQGSEPAGVTS
MEPSADGLARAAAQGREQEVRALLEAGVSPNAP--NCFGRTPIQVMMMGNTQVARLLLLYGAEPNCEDPATLSRPVHDAAREGFLETLAILH--QAGARLDVLDARGRLPVDLALERGHCDVVQYLRAAGN-TPQGSEPAGVTS
NELASA-----AARGDLEQLTSLLQNNVNVNAQ--NGFGRTALQVMKLGNPEIARRLLLRGANPNLKDGTGFA-VIHDAARAGFLDTVQALLEFQ--ADVNIEDNEGNLPLHLAAKEGHLPVVEFLMKHTACNVGHRNHKGDTA
GGGSDAGLATAAARGQVETVRQLLEAGADPNAV--NRFGRRPIQVMMMGSAQVAELLLLHGAEPNCADPATLTRPVHDAAREGFLDTLMVLHKA--GARLDVCDAWGRLPVDLAEEQGHRDIARYLHAATG-D----------GGGSDAGLATAAARGQVETVRQLLEAGVDPNAV--NRFGRRPIQVMMMGSTQVAELLLLHGAEPNCADPNTLTRPVHDAAREGFLDTLVVLHRA--GARLDVRDTWGRLPVDLAEEMGHHDVAVYLHAATG-D----------GGGSDEGLASAAARGLVEKVRQLLEAGADPNGV--NRFGRRAIQVMMMGSARVAELLLLHGAEPNCADPATLTRPVHDAAREGFLDTLVVLHRA--GARLDVRDAWGRLPVDLAEERGHRDVAGYLRTATG-D----------GGGSDEGLAT-PARGLVEKVRHSWEAGADPNGV--NRFGRRAIQVMMMGSARVAELLLLHGAEPNCADPATLTRPVHDAAREGFLDTLVVLHRA--GARLDVRDAWGRLPVDLAEERGHRDVAGYLRTATG-D----------GGGGDAGLANAAARGQVETVRQLLEAGADPNGL--NHFGRRPIQVMMMGSARVAELLLLHGADPNCADPATLTRPVHDAAREGFLDTLVALRRA--GARLDVQDAWGRLPVDLAEERGHRDVARFLRAAAG-D-----------------------------------AGADPNGV--NGFGRRPIQVMMMGSVHVAELLLLHGADPNRADPDTLTRPVHDAAREGFL----------------------------------------------------------MEPSADWLASAAARGREGEVRALLEAGALANAP--NRYGRTPIQVMMMGSTRVAELLLLHGADPNCEDPATLTRPVHDAAREGFLDTLVVLHRA--GARLDVRDAWGRLPVDLAEERGHRDVAGYLRANAG-RTEGGSHARSNS
--------------------------------------------VMMMGSTRVAELLLLHGADPNCEDPATLTRPVHDAAREGFLDTLVVLHRA--GARLDVRDAWGRLPVDLAEERGHRDVAGYLRANAG-RTEGGSHARSNS
--------------------------------------------VMMMGSARVAELLLLHGADPNCADPATLTRPVHDAAREGFLDTLVVLHRA--GARLDVRDAWGRLPVDLAEERGHRDVARYLRAAAG-D------------------------------------------------------VMMMGSARVAELLLLHGADPNCADPATLTRPVHDAAREGFLDTLVVLHRA--GARLDVRDAWGRLPVDLAEERGHRDIVRYLRARTG-GTGSGSHTGTDG
--------------------------------------------VMMMGSARVAELLLLHGADPNCADPATLTRPVHDAAREGFLDTLVALRRA--GARLDVQDAWGRLPVDLAEERGHRDVARFLRAAAG-D----------MEPSADWLATAAARGRVEEVRALLEAGALPNAP--NSYGRRPIQVMMMGSARVAELLLLHGAEPNCADPATLTRPVHDAAREGFLDTLVVLHRA--GARLDVRDAWGRLPVDLAEELGHRDVARYLRAAAG-GTRGSNHARIDA
MEPSADWLATAAARGRVEEVRALLEAGALPNAP--NSYGRRPIQVMMMGSARVAELLLLHGAEPNCADPATLTRPVHDAAREGFLDTLVVLHRA--GARLDVRDAWGRLPVDLAEELGHRDVARYLRAAAG-GTRGSNHARIDA
MEPSADWLATAAARGRVEEVRALLEAGALPNAP--NSYGRRPIQVMMMGSARVAELLLLHGAEPNCADPATLTRPVHDAAREGFLDTLVVLHRA--GARLDVRDAWGRLPVDLAEELGHRDVARYLRAAAG-GTRGSNHARIDA
---------------------------------------------MMMGSARVAELLLLHGAEPNCADPATLTRPVHDAAREGFLDTLVVLHRA--GARLDVRDAWGRLPVDLAEELGHRDVARYLRAAAG-GTRGSNHARIDA
--------------------------------------------VMMMGSARVAELLLLHGAEPNCADPATLTRPVHDAAREGFLDTLVVLHRA--GARLDVRDAWGRLPVDLAEELGHRDVARYLRAAAG-GTRGSNHARIDA
MEPSADWLATAAARGRVEEVRALLEAVALPNAP--NSYGRRPIQVMMMGSARVAELLLLHGAEPNCADPATLTRPVHDAAREGFLDTLVVLHRA--GARLDVRDAWGRLPVDLAEELGHRDVARYLRAAAG-GTRGSNHARIDA
MEPSADWLATAAARGRVEEVRALLEAVALPNAP--NSYGRRPIQVMMMGSARVAELLLLHGAEPNCADPATLTRPVHDAAREGFLDTLVVLHRA--GARLDVRDAWGRLPVDLAEELGHRDVARYLRAAAG-GTRGSNHARIDA
--------------------------------------------VMMMGSARVAELLLLHGAEPNCADPVTLTRPVHDAAREGFLDTLVVLHRA--GARLDVRDAWGRLPVDLAEELGHRDVARYLA------------------------------------------------------------VMMMGSAQVAELLLLHGAEPNCADPATLTRPVHDAAREGFLDTLVVLHRA--GARLDVCDAWGRLPVDLAEEQGHRDIARYLHAATG-D------------------------------------------------------VIMMGSAQVAELLLLHGAEPNCADPATLTRPVHDAAREGFLDTLVVLHRA--GARLDVCDAWGRLPVDLAEEQGHRDIARYLHAASG-D----------ESFSGEKLTEAAARGRTEVVTELLELGTNPNAV--NRFGRSAIQVMMMGNVRLAAILLQYGAEPNTPDPTTLTLPVHDAAREGFLDTLMLLHRA--GARLDVRDSWGRLPVDLAEEQGHHLVVAYLREVVR-DA---------MEPSADWLATAAARGRVEEVRALLEAGALPNAP--NSYGRRPIQVGRR-------------SAAGAGDGGRLWRTKFAGELE-------------SGSASILRKK-GRLPGEFSEG-----VCNHRPPPG--DALGAWETKEEE
--XXXXXLXXAXAXGX-XXXXXLLX--XXXXXX--NXXGXXXXQVMMMGX-XVA-LLLXXGAXPNCXDPXTXXRPVHDAAREGFLDTLXVLXXX--GARLDVXDAWGRLPXDLAXEXGHXDVX-YLRXAXX-XXXXXXXXX---
Multiple alignment of the KCIP-1
inhibitor family (part 1/3)
1.
2.
3.
4.
P29358
P29359
Q9CQV8
P35213
5. S23179
6. NP_003395
7. BAA11751
8. P29361
9. BAA13421
10. NP_003397
11. S65013
12. P29309
13. AAC41252
14. P31946
15. P42655
16. P11576
17. P35214
18. P29312
19. P35215
20. JC5384
CONSENSUS
10
20
30
40
50
60
70
80
90
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TM-DKSE-LVQKAKLAEQAERYDDMAAAMKAVTEQGHELSNEERNLLSVAYKNVVGARRSSWRVISSIEQKTE--RNEKKQQMGKEYREK
TM-DKSE-LVQKAKLAEQAERYDDMAAAMKAVTEQGHELSNEERNLLSVAYKNVVGARRSSWRVISSIEQKTE--RNEKKQQMGKEYREK
TM-DKSE-LVQKAKLAEQAERYDDMAAAMKAVTEQGHELSNEERNLLSVAYKNVVGARRSSWRVISSIEQKTE--RNEKKQQMGKEYREK
TM-DKSE-LVQKAKLAEQAERYDDMAAAMKAVTEQGHELSNEERNLLSVAYKNVVGARRSSWRVISSIEQKTE--RNEKKQQMGKEYREK
-M-DKSE-LVQKAKLAEQAERYDDMAAAMKAVTEQGHELSNEERNLLSVAYKNVVGARRSSWRVISSIEQKTE--RNEKKQQMGKEYREK
-M-DKNE-LVQKAKLAEQAERYDDMAACMKSVTEQGAELSNEERNLLSVAYKNVVGARRSSWRVVSSIEQKTE--GAEKKQQMAREYREK
-M-DKNE-LVQKAKLAEQAERYDDMAACMKSVTEQGAELSNEERNLLSVAYKNVVGARRSSWRVVSSIEQKTE--GAEKKQQVAREYREK
-M-DKNE-LVQKAKLAEQAERYDDMAACMKSVTEQGAELSNEERNLLSVAYKNVVGARRSSWRVVSSIEQKTE--GAEKKQQMAREYREK
-M-DKNE-LVQKAKLAEQAERYDDMAACMKSVTEQGAELSNEERNLLSVAYKNVVGARRSSWRVVSSIEQKTE--GAEKKQQMAREYREK
-M-DKNE-LVQKAKLAEQAERYDDMAACMKSVTEQGAELSNEERNLLSVAYKNVVGARRSSWRVVSSIEQKTE--GAEKKQQMAREYREK
-M-DKNE-LVQKAKLAEQAERYDDMAAAMKSVTEQGAELSNEERNLLSVAYKNVVGARRSSWRVVSSIEQKTE--GAEKKQQMAREYREK
------------AKLSEQAERYDDMAASMKAVTELGAELSNEERNLLSVAYKNVVGARRSSWRVISSIEQKTE--GNDKRQQMAREYREK
M-DKNE-LVQKAKLAEQAERYDDMAACMKRVTEEGGELSNEERNLLSVAYKNVVGARRSSWRVVSSIEQKTE--GAEKKQEMSREYREK
-MVD-REQLVQKARLAEQAERYDDMAAAMKNVTELNEPLSNEERNLLSVAYKNVVGARRSSWRVISSIEQKTSADGNEKKIEMVRAYREK
-MDD-REDLVYQAKLAEQAERYDEMVESMKKVAGMDVELTVEERNLLSVAYKNVIGARRASWRIISSIEQKEENKGGEDKLKMIREYRQM
---GDREQLLQRARLAEQAERYDDMASAMKAVTELNEPLSNEDRNLLSVAYKNVVGARRSSWRVISSIEQKTMADGNEKKLEKVKAYREK
---VDREQLVQKARLAEQAERYDDMAAAMKNVTELNEPLSNEERNLLSVAYKNVVGARRSSWRVISSIEQKTSADGNEKKIEMVRAYREK
-M-DKNE-LVQKAKLAEQAERYDDMAACMKSVTEQGAELSNEERNLLSVAYKNVVGARRSSWRVVSSIEQKTE--GAEKKQQMAREYREK
-M-DKNE-LVQKAKLAEQAERYDDMAACMKSVTEQGAELSNEERNLLSVAYKNVVGARRSSWRVVSSIEQKTE--GAEKKQQMAREYREK
-M-DKNE-LVQKAKLAEQAERYDDMAACMKSVTEQGAELSNEERNLLSVAYKNVVGARRSSWRVVSSIEQKTE--GAEKKQQMAREYREK
-M-DKXE-LVQKAKLAEQAERYDDMAAXMK-VTEQG-ELSNEERNLLSVAYKNVVGARRSSWRVXSSIEQKTE--X-EKKXXMXREYREK
Multiple alignment of the HIT family
P16436
NP_071528.1
A35350
NP_787006.1
P80912
NP_005331.1
1KPC
BAB15500.1
XP_126166.1
3RHN
AAN16460.1
BAA93454.1
BAA94871.1
XP_294311.1
XP_345534.1
NP_608711.3
NP_722836.1
XP_316373.1
XP_143732.1
XP_233377.2
NP_492056.1
NP_115982.
AAL40394.1
NP_681787.1
NP_488127.1
NP_776765.1
NP_440841.1
NP_790447.1
P32084
NP_923875.1
NP_869071.1
NP_213096.1
NP_742594.1
AAN87419.1
P42856
S45368
NP_874474.1
NP_711617.1
NP_896423.1
P42855
NP_895423.1
NP_892188.1
NP_567038.1
T49050
NP_249347.1
NP_562940.1
NP_622615.1
NP_782592.1
ZP_00110753.1
ZP_00128115.1
ZP_00072676.1
ZP_00092436.1
NP_797343.1
NP_819816.1
NP_760929.1
NP_704380.1
ZP_00122439.1
NP_347918.1
ZP_00132345.1
10
20
30
40
50
60
70
80
90
100
110
120
IFGKII-RK--EIPAKIIYEDDQCLAFHDISPQAPTHFLVIPKKYISQISAAEDDDES--LLGHLMIVGKKCAADLGLKK------GYRMVVNEGSDGGQSVYHVHLHVLGGRQMNWPPG-----IFGKII-RK--EIPAKIIYEDDQCLAFHDISPQAPTHFLVIPKKYISQISAAEDDDES--LLGHLMIVGKKCAADLGLKK------GYRMVVNEGSDGGQSVYHVHLHVLGGRQMNWPPG-----IFGKII-RK--EIPAKIIYEDDQCLAFHDISPQAPTHFLVIPKKYISQISAAEDDDES--LLGHLMIVGKKCAADLGLKK------GYRMVVNEGSDGGQSVYHVHLHVLGGRQMNWPPG-----IFGKII-RK--EIPAKIIYEDDQCLAFHDISPQAPTHFLVIPKKYISEISAAEDDDES--LLGHLMIVGKKCAADLGLKK------GYRMVVNEGSDGGQSVYHVHLHVLGGRQMNWPPG-----IFGKII-RK--EIPAKIIFEDDQCLAFHDISPQAPTHFLVIPKKHISQISAAEDADES--LLGHLMIVGKKCAADLGLKK------GYRMVVNEGSDGGQSVYHVHLHVLGGRQMNWPPG-----IFGKII-RK--EIPAKIIFEDDRCLAFHDISPQAPTHFLVIPKKHISQISVAEDDDES--LLGHLMIVGKKCAADLGLNK------GYRMVVNEGSDGGQSVYHVHLHVLGGRQMHWPPG-----IFGKII-RK--EIPAKIIFEDDRCLAFHDISPQAPTHFLVIPKKHISQISVAEDDDES--LLGHLMIVGKKCAADLGLNK------GYRMVVNEGSDGGQSVYHVHLHVLGGRQMHWPPG-----IFGKII-RE--EIPAKIIFEDDRCLAFHDISPQAPTHFLVIPKKHISQISVAEDDDES--LLGHLMIVGKKCAADLGLNK------GYRMVVNEGSDGGQSVYHVHLHVLGGRQMHWPPG-----IFGKII-RK--EIPAKIIFEDDRCLAFHDISPQAPTHFLVIPKKHISQISVADDDDES--LLGHLMIVGKKCAADLGLKR------GYRMVVNEGADGGQSVYHIHLHVLGGRQMNWPPG-----IFGKII-RK--EIPAKIIFEDDQCLAFHDISPQAPTHFLVIPKKHISQISAAEDADES--LLGHLMIVGKKCAADLGLKK------GYRMVVNEGSDGGQSVYHVHLHVLGGRQMNWPPG-----IFGKII-RK--EIPANIIFEDEQCLAFHDISPQAPTHFLVIPKKPIVRLSEAEDSDES--LLGHLMIVGKKCAAELGLTN------GFRMVVNEGPEGGQSVYHVHLHVLGGRQLGWPPG-----IFGKII-RK--EIPANIIYEDEQCLAFHDISPQAPTHFLVIPKKPIVRLSEAEDSDES--LLGHLMIVGKKCAANLGLTN------GFRMVLNEGPEGGQSVYHVHLHILGGRQLGWPPG-----IFGKII-RK--EIPANIIYEDEQCLAFHDISPQAPTHFLVIPKKPIVRLSEAEDSDES--LLGHLMIVGKKCAANLGLTN------GFRMVLNEGPEGGQSVYHVHLHILGGRQLGWPPG-----VFGKIIC-K--EIPAKIIFEDDQCLAFHDTSPQAPTRFLLISKKHISQISAAEDNDES--LLGHLMIVGKKCAADLGLNK------GYQMVVNKGSDGGQSVCQVHLHVLGGWQMHWPPG-----IFGKII-RK--EILAKIIFEDDRCLAFHDISSQAPRHFLVIPKKHISQVSVADDDDES--LLGHLMIVGKKCAADLGLKR------GYRMVANEGADEG--WGQSVYHTSSMSLEVGR-------IFGKIL-RK--EIPCKFIHEDDKCVAFHDVAPQAPTHFLVIPRKPIAQLSLAEDGDAD--LLGHLMLVGRKVAKELGLAD------GYRVVINNGKHGAQSVYHLHLHFLGGRQMQWPPG-----IFGKIL-RK--EIPCKFIHEDDKCVAFHDVAPQAPTHFLVIPRKPIAQLSLAEDGDAD--LLGHLMLVGRKVAKELGLAD------GYRVVINNGKHGAQSVYHLHLHFLGGRQMQWPPG-----IFGKIL-RK--EIPCTFIYEDDKCVAFNDVAPQAPVHFLVIPRKTIPQLSKATEEDEA--LLGHLMLVGKKVAAEQGMEE------GFRVVINDGKNGAQSVYHLHLHFLGGRQMKWPPG-----IFSRILDR-SL--PADILYEDQQCLVFRDVAPQAPVHFLVIPRKPIPRISQAEEDDQQ--LLGHLLLVAKKIAQAQGLKD------GYRLVVNDGKMGAQSVYHLHIHVLGGRQLQWPPG-----IFSRILDR-SL--PADILYEDHQCLVFRDVAPQAPVHFLVIPRKPIPRISQAEEDDQQ--LLGHLLLVAKKIAQAEGLKD------GYRLVVNDGKMGAQSVYHLHIHVLGGRQLQWPPG-----LFGKII-RK--EIPAKIIFEDDEALAFHDVSPQAPIHFLVIPKRRIDMLENAVDSDAA--LIGKLMVTASKVAKQLGMAN------GYRVVVNNGKDGAQSVFHLHLHVLGGRQLQWPPG-----IFSRILD-KSL--PADILYEDQQCLVFRDVAPQAPVHFLVIPKKPIPRISQAEEEDQQ--LLGHLLLVAKQTAKAEGLGD------GYRLVINDGKLGAQSVYHLHIHVLGGRQLQWPPG-----IFSRILD-KSL--PADILYEDQQCLVFRDVAPQAPVHFLVIPKKPIPRISQAEEEDQQ--LLGHLLLVAKQTAKAEGLGD------GYRLVINDGKLGAQSVYHLHIHVLGGRQLQWPPG-----IFSRII-RR--EIPADIVHEDELCLAFRDINPQAPVHILVIPKKPIPQLSLAEPEDHR--VLGHLLLTAKRIAEAEGLTN------GYRVVINNGPDGGQTVYHLHLHLLGGRPMQWPPG-----IFSKII-RR--EIPANIVYEDDLALAFKDVHPQAPVHILVIPKQPLAKLSDADSHDHA--LLGHLLLTAKRVAQEAGLEN------GYRVVINNGNDGGQTVYHLHLHILGGRPMAWPPG-----IFSRILDR-SL--PADILYEDQQCLAFRDVAPQAPVHFLVIPKKPIPRISQAEEEDQQ--LLGHLLLVAKETAKAEGLG-D-----GYRLVINDGKLGAQSVYHLHIHVLGGRQLQWPPG-----IFSKII-RR--EIPAAIVYEDDLCLAFKDVNPQAPVHVLLIPKKPLPQLSAATPEDHA--LLGHLLLKAKEVAADLGIG-DQ-----FRLVINNGAEVGQTVFHLHLHILGGRPFSWPPG-----LFTKIINR---EIPAKIIYEDDQVLAFHDIAPQAPVHFLVIPKKPIRTLNDLTEEDKG--LAGHILFTAQRLAIELGC--EE----GFRVVMNCNELGGQTVYHIHMHVLGQRQMSWPPG-----IFGKII-RR--EIPADIVYEDDLCLAFRDVAPQAPVHILVIPKQPIANLLEATAEHQA--LLGHLLLTVKAIAAQEGL-T-E----GYRTVINTGPAGGQTVYHLHIHLLGGRSLAWPPG-----VFGKIL-RR--EIPAAIVFEDERALAFRDINPQAPVHILVIPKRAIAQLEQVAPEDEA--LLGHLLYVAVQVARQEGL--DS----GYRLVVNNGVQGGQTVYHLHVHLLGGRMLAWPPG-----IFSKIIA-K--EIPADIVYEDDLCLAFRDIAPKAPTHILVIPKREIVSLADLTDEDQA--VMGRCVVVASKVAADEGLG-D-----GFRLVVNTGSDGGQEVPHVHFHLLGGRKMTWPPG-----IFCKIV-R-G-EVPAKKVYEDDKVLAFHDINPVAPVHILIIPKKHIMGIQTLEPEDE--CLVGHMFYVARKIAEDLGIAPDENLNKGYRLVFNVGKDAGQSVFHLHLHLIGGREMSWP-------LFLKIINR---EIPADIIYEDDQILAFKDIAPAAPVHFLVIPKKHIRTLNDLTEEDKA--LAGHILFTAQRLAVEQGC--EE----GFRVVMNCNPKGGQTVYHIHMHVLGQRQMNWPPG-----IFCKIV-RK--EIPAQIVYEDDVVVAFKDINPAAPTHILIIPREHISSIAAAEASHQA--ILGQLLLASQKVTAALGI--E-PDKH--RLVINTGADAGQTVFHLHVHLLAGRNLGWPPG-----IFDKII--K--EIPSTVVYEDEKVLAFRDINPQAPTHILIIPKVKDGLTGLAKAEERHIEILGYLLYVAKVVAKQEGL--ED----GYRVVINDGPSGCQSVYHIHVHLLGGRQMNWPPG-----IFDKII-KK--EIPSTVVYEDEKVLAFRDINPQAPTHILIIPKVKDGLTGLAKAEERHIEILGYLLYVAKVVAKQEGL--ED----GYRVVINDGPSGCQSVYHIHVHLLGGRQMNWPPG-----IFSRIL-R-G-EIDCDEIYSDEMCLAFRDIQPQAPVHILVIPRKAIPSLREAEIQDES--LLGHLLLVSAKIAKLEGL-N----H--WRTVINSGSEAGQTVFHLHIHVIGGRKLNWPPG-----IFCKII-RK--EIPSKVVFENDEILAFYDISPQAPVHIVFIPKKHIPSLSEIENEDSH--LLGNILLQIRDTAKNLGFA--EN---GYRVVNNTGKNGGQTVFHIHFHLLAERRLHWPPG-----IFGKIL-R-G-DIPCDEVYSDDRCLAFRDIAPQAPVHVLVIPRQPIESLRSAGSGDEA--LLGHLLLVAARVARQEGL--ED-----FRTVINSGAAAGQTVFHLHVHVIGGRPLDWPPG-----IFGKIIS-K--EIPSTVVYEDDKVLAFRDITPQGPVHILLIPKVRDGLTGLFKAEERHIDILGRLLYTAKLVAKQEGL--DE----GFRIVINDGPQGCQSVYHIHVHLIGGRQMNWPPG-----IFGQML-R-G-EIPFDEVYSDERCLAFRDIQPQAPVHVLVIPRKPLDSLRAADSTDS--ELLGHLLLVAARVAKQEGL--DD-----FRTVINSGLEAGQTVFHLHVHVIGGRPLAWPPG-----IFSKIIN--G-EIPCEKLHEDELCLAFNDIASQAPVHFLVIPKKPLVSLCECLEEDR--DLLGHLLLIGKNIAKSKQL----KN---WRTVINTGEESGQTVFHLHIHFLAGRKMSWPPG-----IFDKIIS-K--EIPSTVVFEDDKVLAFRDITPQGPVHILLIPKVRDGLTGLSKAEERHIDILGRLLYTAKLVAKQEGL-AE-----GFRIVINDGPQGCQSVYHIHVHLIGGRQMNWPPG-----IFDKIIS-K--EIPSTVVFEDDKVLAFRDITPQGPVHILLIPKVRDGLTGLSKAEERHIDILGRLLYTAKLVAKQEGL-AE-----GFRIVINDGPQGCQSVYHIHVHLIGGRQMNWPPG-----LFCKIVA--G-EVPARKFYEDEEVVAFHDIGPQAPVHFLVIPKRHIPTLEHLTEADR--PLAGHILFTAQRLAREQGC--EE----GFRVVMNCNDLGGQTVHHIHMHVLGQRQMHWPPG-----IFCKIVA--G-EIPSKKIYEDDKVLAFHDISPEAPVHFLVIPKEHIASLNEVNEENAE--VFAHIFKTINKLVKEQEV-AED----GYRVVTNCGEQGGQTVGHIHFHVLGGRNLNWPPG-----IFCKIVN-K--EVPSNIVYEDDLVVAFRDINPQAPVHILIVPKEHIPTLLDVTEENKH--LISRAYMVAKEIAKKEGI--DEK---GYRIVTNCGKDGGQTVYHLHFHLLGGRFMTWPPG-----IFCKIVK--G-DIPSEKVYEDELILAFKDISPSAPTHVLVIPKKHIKNLNELSDNDAK--IISHIYIKIKELAQQLDI--NEK---GYRVVTNCGEQGGQTVEHIHFHLLGGRNLQWPPG-----IFSKII-RR--EIPVDIVYEDNLALAFKDIHPQAPVHILVIPKKPIPTLADAESQDHA--LLGHLLLTAKRVAEEAGL----KN--GYRVVINTGDDGGQTVYHLHLHILGGRQLDWPPG-----LFTKIIN-R--EIPAKIIYEDDQVLAFHDIAPQAPVHFLVIPKKPIRTLNDLTEEDKG--LAGHILFTAQRLALELGC--EE----GFRVVMNCNELGGQTVYHIHMHVLGQRQMTWPPG-----IFSKII-RR--EIPADIIYEDETTLAFKDINPQAPIHILVIPKKPIPNLANATSED-HI-LMGNLLLTAKQVAQEQGL-QN-----GYRVVINNGIDAGQTVFHLHLHILGGRPMQWPPG-----LFCKIAA--G-EIPAHKLYEDDLVVAFQDISPQAPVHFLVIPKRHIPTLNDLSEEDR-L-LAGHILLTAQRLAREQGC---EK---GFRAVMNCNEQGGQTVYHIHMHVLGQRQMHWPPG-----IFSKII-RK--EIPADILYQDDLVTAFRDINPRAPSHILIIPNKLIPTTNDVEAEDEA-M-MGRLFTVAKKLAKEEGIA-ED----GYRLILNCNPHGGQEVYHIHMHLLGGR----PLGPMVLSVFCKIA--KG-EIGE-LIYEDKQVVAFNDAAPQAPIHILVIPHRHIETINDVTPGDE--DLLGHMVVVATRLAHDKNMAA-D----GYRLVMNCNRNGGQAVFHIHLHLLGGRQMHWPPG-----IFSKII-RK--EIPAQILFQDDLVTAFRDINPRAPKHILIIPNKLIPTVNDVEADDEA-M-MGRMFTVAKQLAKEEGIA-EE----GYRLIVNCNAHGGQEVYHIHMHLVGGK----PLGPMLLGIFGKIA-R-G-EVPVDAVYEDDKVIAFNDIYPQAPVHIIVIPKRRDGLTRLSKAEEKHKEILGHLMWAVAEIVRKNNLG-D------FRLVVNNGPEACQSIYYLHLHILAKRQMKWPPG-----IFSKII-RK--EIPANIVYQDELVTAFRDISPQAPTHILIIPNKIIPTVNDVTSEDE-VT-LGRLFTVAAKLAEKEGIA-QD----GYRLIVNCNKHGGQEVYHLHMHLVGGEH----LGKMLAKIFCKII--KG-EIPSSKVYEDEDVLAFNDISPAAPVHVLVIPKKHISSLNDINEENSKVIAHVFVV-IS-KLAKELGI--DED---GFRVVSNCGEAAGQTVHHVHFHLLGKKKFTWPPG-----IFSKII-RK--EIPANIVYQDELVTAFRDISPQAPTHILIIPNKIIPTVNDVTSEDE-VT-LGRLFTVAAKLAEKEGIAQD-----GYRLIVNCNKHGGQEVYHLHMHLVGGEH----LGKMLAKIFGKII-RK--EIPAKIIYEDDQCLAFHDISPQAPVHFLVIPKKPIPQLSDAEDEDES--LLGHLLLVAKKVAADLGLK-------GYRVVINEGKDGGQSVYHLHLHVLGGRQMNWPPG------
Phylograms
Phylograms
Cip inhibitor family
KCIP inhibitor family
CAA59284.1
NP 003397
P46529
P29312
BAB39725.1
S65013
O19001
BAA11751
BAA19960.1
NP 003395
NP 113950.1
P35215
NP 004055.1
AAF69497.1
P29309
Q60439
P29358
NP 034005.1
Q9CQV8
AAM22491.1
P35213
BAA11015.1
P29359
NP 000067.1
S23179
I51683
AAC59775.1
AAC41252
NP 031695.1
P42655
NP 542960.1
P11576
NP 000380.1
P31946
AAG15411.1
P35214
O19002
BAA13421
AAH01935.1
AAC27627.1
AAN63876.1
0.1
JC5384
P29361
0.1
Ink4 inhibitor family
CAB65455.1
BAA33541.1
AAA50282.1
NP 004927.2
CAC87045.1
CAC67498.1
NP 031696.1
NP 570825.1
O77617
AAG44950.1
AAG59801.1
NP 113738.1
AAC08963.1
AAB39600.1
P51480
AAC08962.1
AAD00229.1
AAD00227.1
AAD00228.1
AAD00230.1
AAD00236.1
AAD00231.1
NP 478104.1
AAC97110.1
AAL76343.1
NP 571977.1
NP 031697.1
CAC12811.1
Q60773
NP 034008.1
A57378
NP 001791.1
AAA85436.1
CAB65454.1
CAC87046.1
NP 000068.1
P42771
AAB60645.1
2002364A
AAB32713.1
BAA33540.1
AAG01087.1
AAD00232.1
AAB94534.1
NP 478103.1
AAD14050.1
0.1
cAMP inhibitor family
P04541
NP 862822.1
NP 006814.1
P27776
A40536
AAA40867.1
AAH48244.1
AAA39940.1
AAH36011.1
AAK00638.1
NP 115860.1
Q9C010
NP 861460.1
NP 861459.1
NP 036759.1
AAA41879.1
P27775
NP 032889.2
AAB59678.1
B46707
AAH61162.1
Q04758
A40962
AAL90456.1
Q9Y2B9
NP 008997.1
NP 861521.1
AAD55445.1
NP 861520.1
AAQ17071.1
AAQ17070.1
AAQ04718.1
AAC09065.1
O70139
NP 035236.1
NP 703199.1
AAD30289.1
AAA86697.1
Q90641
JC4128
NP 032888.1
NP 446224.1
AAA72716.1
OKR BCI
AAH22265.1
OKRBCI
0.1
NP 923875.1
NP 869071.1
NP 711617.1
NP 213096.1
ZP 00122439.1
ZP 00132345.1
NP 797343.1
NP 760929.1
P42855
NP 567038.1
T49050
P42856
S45368
NP 776765.1
NP 115982.
AAL40394.1
XP 143732.1
XP 233377.2
AAN16460.1
BAA93454.1
BAA94871.1
XP 345534.1
XP 294311.1
XP 126166.1
BAB15500.1
NP 005331.1
1KPC
P80912
3RHN
P16436
NP 071528.1
A35350
NP 787006.1
XP 316373.1
NP 608711.3
NP 722836.1
NP 492056.1
NP 819816.1
NP 742594.1
NP 790447.1
ZP 00128115.1
ZP 00092436.1
NP 249347.1
NP 440841.1
NP 892188.1
P32084
NP 874474.1
NP 896423.1
NP 895423.1
NP 704380.1
AAN87419.1
NP 622615.1
NP 347918.1
NP 782592.1
NP 562940.1
NP 681787.1
ZP 00072676.1
ZP 00110753.1
NP 488127.1
HIT inhibitor family
0.1
Tertiary structures and correlated mutations
within the inhibitor families
KCIP inhibitor family
Cip inhibitor family
cAMP (PKA) inhibitor family
(PKI5-24)
Ink4 inhibitor family
HIT family
Recent invited talks
1.
2.
3.
4.
5.
6.
7.
B.Lesyng, CM3/SCC-DFTB Charges, Generalized Born and Hydrophobic Models
in Description of Hydration Free Energies, Conference on "Protein Structure
Prediction and Protein Folding: Past, Present, and Perspectives”, Gdansk, Poland,
1-2 Sept., 2004
B.Lesyng, Coupling of SCC-DFTB, Generalized Born and Hydrophobic Models in
Description of Hydration Free Energies, Algoritms for Macromolecular
Modeling, University of Leicester, England, Aug.18-21, 2004.
B.Lesyng, Selected Microscopic and Mesoscopic Modelling Tools and Models an Overview, Conference on "Modelling and Design of Molecular Materials",
Wroclaw, Poland, Sept.16-20, 2004.
B.Lesyng, From Crystallography of Biomolecules to More Detailed
Understanding of their Structure and Function, Symposium on "Crystallography
of Biomolecules" to celebrate prof. Alexander Wlodawer as Doctor Honoris
Causa, Lodz, Poland, Oct.4, 2004
B.Lesyng, Modelling and Understanding Complex Biomolecular Systems and
Processes: Applications in Nanosciences, Biotechnology and Biomedicine,
Conference on "Converging Sciences", Dec.16-17, Trento, Italy, 2004
B.Lesyng, Overview of Selected Microscopic and Mesoscopic Biomolecular
Modeling Models and Theories or From Physics and Bioinformaticsto Molecular
Biology and Biotechnology, XXXII Winter School of Faculty of Biotechnology,
Jagiellonian University, Zakopane, Poland, March, 3-7, 2005
B.Lesyng, (in Polish) Jak lepiej zrozumieć strukturę i funkcje złożonych układów
biomolekularnych ? Bioinformatics Workshop, SGGW, Warsaw, June 3, 2005