Tècniques i Eines Bioinformàtiques

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Tècniques i Eines Bioinformàtiques. Bioinformatics, Sequence and Genome Analysis David W. Mount Flexible Pattern Matching in Strings (2002) Gonzalo Navarro and Mathieu Raffinot Algorithms on strings (2001) M. Crochemore, C. Hancart and T. Lecroq

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Tècniques i Eines Bioinformàtiques
• Bioinformatics, Sequence and Genome Analysis
• David W. Mount
• Flexible Pattern Matching in Strings (2002)
• Gonzalo Navarro and Mathieu Raffinot
• Algorithms on strings (2001)
• M. Crochemore, C. Hancart and T. Lecroq
• http://www-igm.univ-mlv.fr/~lecroq/string/index.html
Algorismes i estructures eficients de cerca

String matching: definition of the problem (text,pattern)

depends on what we have: text or patterns

• Exact matching:
• The patterns ---> Data structures for the patterns
• 1 pattern ---> The algorithm depends on |p| and ||
• k patterns ---> The algorithm depends on k, |p| and ||
• The text ----> Data structure for the text (suffix tree, ...)
• Approximate matching:
• Dynamic programming
• Sequence alignment (pairwise and multiple)
Approximate string matching

For instance, given the sequence

CTACTACTACGTGACTAATACTGATCGTAGCTAC…

search for the pattern ACTGA allowing one error…

… but what is the meaning of “one error”?

Edit distance

Indel

We accept three types of errors:

1. Mismatch: ACCGTGAT ACCGAGAT

2. Insertion: ACCGTGAT ACCGATGAT

3. Deletion: ACCGTGAT ACCGGAT

The edit distance d between two strings is the

minimum number of

substitutions,insertions and deletions

needed to transform the first string into the second one

d(ACT,ACT)= d(ACT,AC)= d(ACT,C)=

d(ACT,)= d(AC,ATC)= d(ACTTG,ATCTG)=

Edit distance

Indel

We accept three types of errors:

1. Mismatch: ACCGTGAT ACCGAGAT

2. Insertion: ACCGTGAT ACCGATGAT

3. Deletion: ACCGTGAT ACCGGAT

The edit distance d between two strings is the

minimum number of

substitutions,insertions and deletions

needed to transform the first string into the second one

d(ACT,ACT)= d(ACT,AC)= d(ACT,C)=

d(ACT,)= d(AC,ATC)= d(ACTTG,ATCTG)=

0

1

2

3

1

2

Edit distance and alignment of strings

The Edit distance is related with the best alignment of strings

Given

d(ACT,ACT)=0 d(ACT,AC)=1 d(ACTTG,ATCTG)=2

which is the best alignment in every case?

• ACT and ACT : ACT
• ACT
• ACT and AT: ACT
• A -T
• ACTTG and ATCTG:

ACTTG

ATCTG

ACT - TG

A - TCTG

Then, the alignment suggest the substitutions, insertions and deletions to transform one string into the other

Edit distance and alignment of strings

But which is the distance between the strings

ACGCTATGCTATACG and ACGGTAGTGACGC?

… and the best alignment between them?

1966 was the first time this problem was discussed…

and the algorithm was proposed in 1968,1970,…

using the technique called “Dynamic programming”

Edit distance and alignment of strings

C T A C T A C T A C G T

A

C

T

G

A

Edit distance and alignment of strings

C T A C T A C T A C G T

A

C

T

G

A

Edit distance and alignment of strings

C T A C T A C T A C G T

A

C

T

G

A

The cell contains the distance between AC and CTACT.

Edit distance and alignment of strings

C T A C T A C T A C G T

A

C

T

G

A

?

Edit distance and alignment of strings

C T A C T A C T A C G T

0

A

C

T

G

A

?

Edit distance and alignment of strings

C T A C T A C T A C G T

0 1

A

C

T

G

A

?

-

C

Edit distance and alignment of strings

C T A C T A C T A C G T

0 1 2

A

C

T

G

A

?

- -

CT

Edit distance and alignment of strings

C T A C T A C T A C G T

0 1 2 3 4 5 6 7 8 …

A

C

T

G

A

- - - - - -

CTACTA

Edit distance and alignment of strings

C T A C T A C T A C G T

0 1 2 3 4 5 6 7 8 …

A ?

C ?

T ?

G

A

Edit distance and alignment of strings

C T A C T A C T A C G T

0 1 2 3 4 5 6 7 8 …

A 1

C 2

T 3

G…

A

ACT

- - -

Edit distance and alignment of strings

-

C

C

C

C

-

BA(AC,CTA)

BA(A,CTA)

BA(A,CTAC)

C T A C T A C T A C G T

0 1 2 3 4 5 6 7 8 …

A 1

C 2

T 3

G

A

C T A C T A C T A C G T

A

C

T

G

A

d(AC,CTA)+1

d(A,CTA)

BA(AC,CTAC)= best

d(AC,CTAC)=min

d(A,CTAC)+1

Edit distance and alignment of strings

Connect to

http://alggen.lsi.upc.es/docencia/ember/leed/Tfc1.htm

and use the global method.

Edit distance and alignment of strings

How this algorithm can be applied

to the approximate search?

to the K-approximate string searching?

K-approximate string searching

C T A C T A C T A C G T A C T G G T G A A …

A

C

T

G

A

This cell …

K-approximate string searching

C T A C T A C T A C G T A C T G G T G A A …

A

C

T

G

A

This cell gives the distance between (ACTGA, CT…GTA)…

…but we only are interested in the last characters

K-approximate string searching

C T A C T A C T A C G T A C T G G T G A A …

A

C

T

G

A

This cell gives the distance between (ACTGA, CT…GTA)…

…but we only are interested in the last characters

K-approximate string searching

* * * * * * C T A C G T A C T G G T G A A …

A

C

T

G

A

This cell gives the distance between (ACTGA, CT…GTA)…

…but we only are interested in the last characters…

…no matter where they appears in the text, then…

K-approximate string searching

* * * * * * C T A C G T A C T G G T G A A …

0

A

C

T

G

A

This cell gives the distance between (ACTGA, CT…GTA)…

…but we only are interested in the last characters…

…no matter where they appears in the text, then…

K-approximate string searching

* * * * * * C T A C G T A C T G G T G A A …

0

A

C

T

G

A

This cell gives the distance between (ACTGA, CT…GTA)…

…but we only are interested in the last characters…

…no matter where they appears in the text, then…

K-approximate string searching

C T A C T A C T A C G T A C T G G T G A A …

0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0

A

C

T

G

A

This cell gives the distance between (ACTGA, CT…GTA)…

…but we only are interested in the last characters…

…no matter where they appears in the text, then

K-approximate string searching

Connect to

http://alggen.lsi.upc.es/docencia/ember/leed/Tfc1.htm

and use the semi-global method.

Bioinformatics

Pairwise and multiple alignment

Pairwise alignment

+

-

s(A,CTAC)-2

s(AC,CTACT)=maximum s(A,CTA) 1

s(AC,CTA)-2

Edit distance:

match=0 mismatch=1 indel=1

d(A,CTAC)+1

d(AC,CTACT)=minimum d(A,CTA)….+1

d(AC,CTA)+1

Similarity:

match=1 mismatch=-1 indel=-2

Pairwise alignment

Connect to

http://alggen.lsi.upc.es

Pairwise to multiple alignment

S2

A

C

A

-1

S3

__

S1

What happens with three strings?

Let n be their lenght, then the cost becomes

O(n3)

“O(23)”

“O(32)”

And with k strings?

O(nk 2k k2)

Multiple alignment

Programs of multialignment use different heuristics:

• Clustal (Progressive alignment)

http://www.ebi.ac.uk/clustalw

• TCoffee (Progressive alignment + data bases)

http://igs-server.cnrs-mrs.fr/Tcoffee_cgi/index.cgi

• HMM (Hidden Markov Models)
Multiple alignment

Connect to

http://alggen.lsi.upc.es/