Hi All,

I was trying to use PeptideProphet in TPP software package (TPP v4.3
JETSTREAM rev 1, Build 200909091257 (MinGW)) to calculate PSM
probabilities for my Mascot search result. I was able to convert
Mascot.dat file to pepXML format. But I am encountering some problems
with PeptideProphet and ProteinProphet.

In my Mascot result, I was able to identify 2353 peptides and 538
proteins (E.coli cell lysates) at the significance threshold of 0.05.
But after I ran Xinteract in TPP, the number of peptide
identifications with probability higher than 0.1 was only 428. The
total PSM number was 2463. So I took a close look at the result, some
probability calculation doesn't make sense to me. For example, in the
mascot result, one PSM had an ion score of 197.22, but the converted
probability was only 0.0013. And this is not the only case. In total
there are 352 peptide identification with ion score higher than 80 but
probability lower than 0.1. Then I plotted Mascot Ion score against
the calculated PeptideProphet probability. There seems to be little
correlation. I uploaded the figure if you are interested
(IonScoreVSProbability.jpg). I suspected there might be some problems
with the conversion or certain parameters I forgot to choose or
optimize. I also uploaded the pepXML file, so you can give a try
(F057073.pep.xml). Is there anyone encountering similar problem as me?

Any help will be appreciated.

Below is the information I got when ran Xinteract:

un_in c:/Inetpub/wwwroot/ISB/data; c:\Inetpub\tpp-bin\xinteract  -
Ninteract.pep.xml -p0 -l5 -Op c:/Inetpub/wwwroot/ISB/data/
F057073.pep.xml

c:\Inetpub\tpp-bin\xinteract (TPP v4.3 JETSTREAM rev 1, Build
200909091257 (MinGW))

running: "C:/Inetpub/tpp-bin/InteractParser "interact.pep.xml" "c:/
Inetpub/wwwroot/ISB/data/F057073.pep.xml" -L"5""
 file 1: c:/Inetpub/wwwroot/ISB/data/F057073.pep.xml
 processed altogether 3171 results


 results written to file c:/Inetpub/wwwroot/ISB/data/interact.pep.xml

 direct your browser to http://localhost/ISB/data/interact.pep.shtml



command completed in 2 sec

running: "C:/Inetpub/tpp-bin/PeptideProphetParser "interact.pep.xml"
MINPROB=0"
 (MASCOT) (minprob 0)
results for charge 1: 17 id tot and 0 adj scores
results for charge 2: 2098 id tot and 431 adj scores

...skipping 45 lines of output...
. . . read in 0 1+, 454 2+, 62 3+, 0 4+, 0 5+, 0 6+, 0 7+ spectra with
min prob 0.05
INFO: mu=1.46739e-005, db_size=5594906

 protein probabilities written to file c:/Inetpub/wwwroot/ISB/data/
interact.prot.xml
 direct your browser to http://localhost/ISB/data/interact.prot.shtml

command completed in 2 sec

running: "C:/Inetpub/tpp-bin/ProtProphModels.pl -i interact.prot.xml"
Analyzing interact.prot.xml ...
command completed in 0 sec
C:/Inetpub/tpp-bin/InteractParser "interact.pep.xml" "c:/Inetpub/
wwwroot/ISB/data/F057073.pep.xml" -L"5" 2 sec
C:/Inetpub/tpp-bin/PeptideProphetParser "interact.pep.xml" MINPROB=0 3
sec
C:/Inetpub/tpp-bin/ProphetModels.pl -i interact.pep.xml 1 sec
C:/Inetpub/tpp-bin/DatabaseParser "interact.pep.xml"
C:/Inetpub/tpp-bin/RefreshParser "interact.pep.xml" "c:/Inetpub/
wwwroot/ISB/data/dbase/EcoliK12_1.fasta" 3 sec
c:/Inetpub/wwwroot/../tpp-bin/PepXMLViewer.cgi -I c:/Inetpub/wwwroot/
ISB/data/interact.pep.xml 1 sec
C:/Inetpub/tpp-bin/ProteinProphet "interact.pep.xml"
"interact.prot.xml" XML 2 sec
C:/Inetpub/tpp-bin/ProtProphModels.pl -i interact.prot.xml 0 sec
job completed in 12 sec
Command Successful

Ming
Dec. 15, 2009

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