Regularitati ascunse si corelatii in nano-bio-structuri

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1 NATIONAL INSTITUTE OF MATERIALS PHYSICS BUCHAREST-MAGURELE Atomistilor Str. bis, P.O. Box MG-7, 77 Magurele-Ilfov, Romania Phone: +() 98, Fax: +() 977, Regularitati ascunse si corelatii in nano-bio-structuri M. Popescu, A. Velea Workshop Exploratoriu: "Nano Sisteme Dinamice: de la Concepte la Aplicatii Senzoristice" - septembrie, Bucuresti

2 Cuprins Introducere Metode Colagen α(i) uman Interferon β Concluzii

3 Introducere

4 Metode Pair correlation - Se calculeaza numarul de perechi de aminoacizi de acelasi fel situati la anumite distante unul de celalalt - Se determina functia de corelare de perechi Fast Fourier Transform A X t A n t B n t () = + ncos( ω ) + nsin( ω ) n= n= ω = π T + T / ( ) = ( n + n) = ( ) T f = inωt G f A ib X t e dt T / nω

5 Colagen α(i) uman 7 V Y W T S 78 P 7 F M 7 K 8 L I 9 H 9 G 7 E 9 Q 8 C D 8 N 7 R 9 A MFSFVDLRLLLLLAATALLTHGQEEGQVEGQDEDIPPITCVQNGLRYHDRDVW KPEPCRICVCDNGKVLCDDVICDETKNCPGAEVPEGECCPVCPDGSESPTDQ ETTGVEGPKGDTGPRGPRGPAGPPGRDGIPGQPGLPGPPGPPGPPGPPGLG GNFAPQLSYGYDEKSTGGISVPGPMGPSGPRGLPGPPGAPGPQGFQGPPGE PGEPGASGPMGPRGPPGPPGKNGDDGEAGKPGRPGERGPPGPQGARGLPG TAGLPGMKGHRGFSGLDGAKGDAGPAGPKGEPGSPGENGAPGQMGPRGLP GERGRPGAPGPAGARGNDGATGAAGPPGPTGPAGPPGFPGAVGAKGEAGP QGPRGSEGPQGVRGEPGPPGPAGAAGPAGNPGADGQPGAKGANGAPGIAG APGFPGARGPSGPQGPGGPPGPKGNSGEPGAPGSKGDTGAKGEPGPVGVQ GPPGPAGEEGKRGARGEPGPTGLPGPPGERGGPGSRGFPGADGVAGPKGP AGERGSPGPAGPKGSPGEAGRPGEAGLPGAKGLTGSPGSPGPDGKTGPPGP AGQDGRPGPPGPPGARGQAGVMGFPGPKGAAGEPGKAGERGVPGPPGAVG PAGKDGEAGAQGPPGPAGPAGERGEQGPAGSPGFQGLPGPAGPPGEAGKP GEQGVPGDLGAPGPSGARGERGFPGERGVQGPPGPAGPRGANGAPGNDGA KGDAGAPGAPGSQGAPGLQGMPGERGAAGLPGPKGDRGDAGPKGADGSPG KDGVRGLTGPIGPPGPAGAPGDKGESGPSGPAGPTGARGAPGDRGEPGPPG PAGFAGPPGADGQPGAKGEPGDAGAKGDAGPPGPAGPAGPPGPIGNVGAPG AKGARGSAGPPGATGFPGAAGRVGPPGPSGNAGPPGPPGPAGKEGGKGPR GETGPAGRPGEVGPPGPPGPAGEKGSPGADGPAGAPGTPGPQGIAGQRGVV GLPGQRGERGFPGLPGPSGEPGKQGPSGASGERGPPGPMGPPGLAGPPGE SGREGAPGAEGSPGRDGSPGAKGDRGETGPAGPPGAPGAPGAPGPVGPAG KSGDRGETGPAGPTGPVGPVGARGPAGPQGPRGDKGETGEQGDRGIKGHR GFSGLQGPPGPPGSPGEQGPSGASGPAGPRGPPGSAGAPGKDGLNGLPGPI GPPGPRGRTGDAGPVGPPGPPGPPGPPGPPSAGFDFSFLPQPPQEKAHDGG RYYRADDANVVRDRDLEVDTTLKSLSQQIENIRSPEGSRKNPARTCRDLKMCH SDWKSGEYWIDPNQGCNLDAIKVFCNMETGETCVYPTQPSVAQKNWYISKNP KDKRHVWFGESMTDGFQFEYGGQGSDPADVAIQLTFLRLMSTEASQNITYHC KNSVAYMDQQTGNLKKALLLQGSNEIEIRAEGNSRFTYSVTVDGCTSHTGAWG KTVIEYKTTKTSRLPIIDVAPLDVGAPDQEFGFDVGPVCFL aminoacizi COA_HUMAN P

6 B Pozitionari in lant: Colagen α(i) uman. Alanine. Arginine. Aspartate. Aspargine. Cysteine Chain Postion Glutamate. Glutamine. Glycine. Histidine. Isoleucine Leucine. Lysine. Methionine. Phenyalanine. Proline Serine. Threonine. Tryptophan. Tyrosine. Valine

7 Colagen α(i) uman FFT:. Alanine. Arginine. Aspargine. Aspartate. Cysteine Glutamate.. Glutamine.. Glycine.. Histidine.. Isoleucine Leucine. Lysine... Methionine.... Phenyalanine.. Proline Serine. Threonine.8 Tryptophan. Tyrosine. Valine

8 Colagen α(i) uman Distante intre aminoacizi de acelasi tip: Alanine Arginine Aspargine.. Tyrosine. Aspartate Cysteine.. Glutamate Glutamine Glycine Histidine Isoleucine. 7 Leucine Lysine 7 Methionine. Phenyalanine Proline Serine 8 7 Threonine Tryptophan..8 Valine

9 Colagen α(i) uman Probabilitati de legare intre doi aminoacizi X si Y in lantul de colagen α(i) uman : Pr ob = LegXY NrX + LegYX + NrY LegXY= nr de legaturi X-Y LegYX= nr de legaturi Y-X NrX= numarul de aminoacizi X din lantul colagenului NrY= numarul de aminoacizi Y din lantul colagenului

10 Interferon β IFNB_HUMAN P7 V Y W T S P F M K L I H G E Q C D N R 8 A MTNKCLLQIALLLCFSTTAL SMSYNLLGFLQRSSNFQC QKLLWQLNGRLEYCLKDR MNFDIPEEIKQLQQFQKED AALTIYEMLQNIFAIFRQDS SSTGWNETIVENLLANVY HQINHLKTVLEEKLEKEDF TRGKLMSSLHLKRYYGRIL HYLKAKEYSHCAWTIVRV EILRNFYFINRLTGYLRN 87 aminoacizi

11 Interferon β Pozitionari in lant:. Alanine. Arginine. Aspargine. Aspartate. Cysteine Glutamate. Glutamine. Glycine. Histidine. Isoleucine Chin Position Leucine. Lysine. Methionine. Phenylalanine. Proline Serine. Threonine. Tryptophan. Tyrosine. Valine

12 Interferon β FFT:.8 Alanine.8 Arginine.8 Aspargine. Aspartate. Cysteine Glutamate.8 Glutamine.. Glycine.. Histidine.8 Isoleucine Leucine.8 Lysine. Methionine.8 Phenylalanine. Proline Serine.8.8 Threonine. Tryptophan.8 Tyrosine. Valine

13 Concluzii Aplicarea metodelor statistice in moleculele cu lanturi mari permite obtinerea de argumente pentru ordonarea partiala a aminoacizilor si obtinerea de corelatii intre aminoacizi. Atunci cand aminoacizii sunt folositi pentru construirea unor lanturi lungi si complicate metodele statistice sunt eficiente pentru dezvaluirea structurii primare a biomoleculelor.

14 Va multumesc pentru atentie!