Oded,

I just checked in a fix for the issue.  It will hopefully be available in
the next TPP 5.1.0 release whenever that happens.

Jimmy

On Thu, Aug 31, 2017 at 7:00 AM, Oded <[email protected]> wrote:

> Hi there,
> I am trying to do run a quantitative analysis of dimethylated samples
> labelled on N-term and lysine (using either trypsin or ArgC) using TPP ver5
> on Windows.
> I ran X!Tandem or Comet searches using fixed light di-Met modification of
> Lys and N-term (+28.03) and the Heavy-Light delta (6.031) as variable
> modifications as explained here, and I used successfully before.
> Quantification with XPRESS run without any error but the ratio calculation
> seems to be correct only for peptides that contain a lysine (regardless if
> they were heavy or light). The ratio calculated for peptides that do not
> contain lysines is correct only for the light labelled ones but for the
> heavy ones the program seems to consider them as light peptides and
> searches for peaks that are +6 heavier in order to calculate the ratio.
> For example if we got the peptide AAAHTSPR  that was identified in the
> light dimethylation on the N-term, MH= 838.4530) the program will look for
> the heavy couple at the right place (MH=844.4848) but if the same peptide
> was identified in its heavy form (MH 838.4530) it seems like the program is
> looking for the heavy partner at 844.4848.
> Another minor (?) comment is that running such searches with X!tandem
> seems to mark the heavy N-term dimethylation in a different way than it
> used to before (and currently appear in Comet pepxml) add looks like this:
> n7.04A99.07TAGDTHLGGEDFDNR (instead of n35.07
> <http://www.ncbi.nlm.nih.gov/blast/Blast.cgi?CMD=Web&LAYOUT=TwoWindows&AUTO_FORMAT=Semiauto&ALIGNMENTS=50&ALIGNMENT_VIEW=Pairwise&CDD_SEARCH=on&CLIENT=web&COMPOSITION_BASED_STATISTICS=on&DATABASE=nr&DESCRIPTIONS=100&ENTREZ_QUERY=%28none%29&EXPECT=1000&FILTER=L&FORMAT_OBJECT=Alignment&FORMAT_TYPE=HTML&I_THRESH=0.005&MATRIX_NAME=BLOSUM62&NCBI_GI=on&PAGE=Proteins&PROGRAM=blastp&SERVICE=plain&SET_DEFAULTS.x=41&SET_DEFAULTS.y=5&SHOW_OVERVIEW=on&END_OF_HTTPGET=Yes&SHOW_LINKOUT=yes&QUERY=ATAGDTHLGGEDFDNR>
> ATAGDTHLGGEDFDNR.
> <http://www.ncbi.nlm.nih.gov/blast/Blast.cgi?CMD=Web&LAYOUT=TwoWindows&AUTO_FORMAT=Semiauto&ALIGNMENTS=50&ALIGNMENT_VIEW=Pairwise&CDD_SEARCH=on&CLIENT=web&COMPOSITION_BASED_STATISTICS=on&DATABASE=nr&DESCRIPTIONS=100&ENTREZ_QUERY=%28none%29&EXPECT=1000&FILTER=L&FORMAT_OBJECT=Alignment&FORMAT_TYPE=HTML&I_THRESH=0.005&MATRIX_NAME=BLOSUM62&NCBI_GI=on&PAGE=Proteins&PROGRAM=blastp&SERVICE=plain&SET_DEFAULTS.x=41&SET_DEFAULTS.y=5&SHOW_OVERVIEW=on&END_OF_HTTPGET=Yes&SHOW_LINKOUT=yes&QUERY=ATAGDTHLGGEDFDNR>
> I hope you can advise.
> Thanks
> Oded
>
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