Summary

1. Notes


2. Result Statistics

Figure 1. False discovery rate (FDR) curve. X axis is the number of peptide-spectrum matches (PSM) being kept. Y axis is the corresponding FDR.



Figure 2. PSM score distribution. (a) Distribution of PEAKS peptide score; (b) Scatterplot of PEAKS peptide score versus precursor mass error.

(a)
(b)

Figure 3. De novo result validation. Distribution of residue local confidence: (a) Residues in de novo sequences validated by confident database peptide assignment; (b) Residues in "de novo only" sequences.

(a)
(b)
Table 1. Statistics of data.
# of MS Scans1003
# of MS/MS Scans1003
Table 2. Result filtration parameters.
Peptide -10lgP≥15
Protein -10lgP≥20
Proteins unique peptides≥0
De novo ALC Score≥50%
Table 3. Statistics of filtered result.
Peptide-Spectrum Matches31
Peptide Sequences22
Protein Groups6
Proteins6
Proteins (#Unique Peptides)1 (>2); 2 (=2); 3 (=1);
FDR (Peptide-Spectrum Matches)58.1%
FDR (Peptide Sequences)81.8%
FDR (Protein)100.0%
De Novo Only Spectra12
Table 4. PTM profile.
Name ∆Mass #PSM Position
Carbamidomethyl57.0213C
Oxidation15.996M

3. Experiment Control

Figure 4. Precursor mass error of peptide-spectrum matches (PSM) in filtered result. (a) Distribution of precursor mass error in ppm; (b) Scatterplot of precursor m/z versus precursor mass error in ppm.

(a)
(b)

Table 5. Number of identified peptides in each sample by the number of missed cleavages

Missed Cleavages01234+
Sample 10.1166000

4. Other Information

Table 6. Search parameters.
Search Engine Name: PEAKS 7.0
Parent Mass Error Tolerance: 0.1 Da
Fragment Mass Error Tolerance: 0.1 Da
Precursor Mass Search Type: monoisotopic
Enzyme: Trypsin
Max Missed Cleavages: 3
Non-specific Cleavage: both
Fixed Modifications:
  Carbamidomethylation: 57.02
Variable Modifications:
  Oxidation (M): 15.99
Max variable PTM per peptide: 3
Database: Scopion2023
Taxon: All
Searched Entry: 15746
FDR Estimation: Enabled
Merge Options: 0.1 min. 0.5 Da
Precursor Options: corrected
Charge Options: no correction
Filter Options: no filter
Process: true
Table 7. Instrument parameters.
Fractions: 10.1_Seg1Ev1.mzXML
Ion Source: ESI(nano-spray)
Fragmentation Mode: CID, CAD(y and b ions)
MS Scan Mode: 3D Ion Trap
MS/MS Scan Mode: 3D Ion Trap

Protein List

Protein Group Protein ID Accession -10lgP Coverage (%) #Peptides #Unique PTM Avg. Mass Description
1 17373 tr|A0A1E1WVU5|A0A1E1WVU5_TITOB 96.76 37 4 4 Y 6863 Putative potassium channel toxin OS=Tityus obscurus OX=1221240 PE=4 SV=1
2 6157 sp|P00760|TRY1_BOVIN 48.57 8 2 2 N 25785 Serine protease 1 OS=Bos taurus OX=9913 GN=PRSS1 PE=1 SV=3
4 15044 tr|A0A1E1WVX0|A0A1E1WVX0_TITOB 36.50 11 2 2 N 8616 Putative bradykinin-potentiating peptide OS=Tityus obscurus OX=1221240 PE=4 SV=1
10 4951 sp|P11716|RYR1_RABIT 24.17 0 1 1 N 565261 Ryanodine receptor 1 OS=Oryctolagus cuniculus OX=9986 GN=RYR1 PE=1 SV=1
14 12073 tr|A0A1W7RAF4|A0A1W7RAF4_9SCOR 23.61 1 1 1 N 122004 Hephaestin-like protein OS=Hadrurus spadix OX=141984 PE=3 SV=1
13 5158 tr|A0A172PWW8|A0A172PWW8_MESMA 20.80 0 1 1 N 221370 Dscam12 OS=Mesobuthus martensii OX=34649 PE=2 SV=1
total 6 proteins

tr|A0A1E1WVU5|A0A1E1WVU5_TITOB
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| Protein Coverage | Supporting Peptides |
Protein Coverage:
Supporting Peptides:
Peptide Uniq -10lgP Mass ppm m/z z RT Scan #Spec Start End PTM
K.SDC(+57.02)KPDLC(+57.02)EK.A Y 55.09 1250.5271 -23.1 417.8400 3 13.78 342 5 32 41 Carbamidomethylation
K.GKPM(+15.99)DFC(+57.02)KGDTC(+57.02)K.C Y 45.31 1558.6578 0.2 520.5600 3 12.78 304 3 48 60 Oxidation (M); Carbamidomethylation
K.GKPM(+15.99)DFC(+57.02)K.G Y 45.16 997.4361 -10.7 499.7200 2 11.69 262 3 48 55 Oxidation (M); Carbamidomethylation
D.C(+57.02)KPDLC(+57.02)EK.A Y 15.84 1048.4681 -2.6 525.2400 2 13.83 344 1 34 41 Carbamidomethylation
total 4 peptides
sp|P00760|TRY1_BOVIN
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| Protein Coverage | Supporting Peptides |
Protein Coverage:
Supporting Peptides:
Peptide Uniq -10lgP Mass ppm m/z z RT Scan #Spec Start End PTM
R.LGEDNINVVEGNEQFISASK.S Y 34.41 2162.0491 -29.4 1082.0000 2 30.84 982 2 73 92
R.LGEDNINVVEGNEQF.I Y 28.32 1675.7689 21.8 838.9100 2 31.49 1006 1 73 87
total 2 peptides
tr|A0A1E1WVX0|A0A1E1WVX0_TITOB
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| Protein Coverage | Supporting Peptides |
Protein Coverage:
Supporting Peptides:
Peptide Uniq -10lgP Mass ppm m/z z RT Scan #Spec Start End PTM
N.KVLTPAEE.A Y 28.61 885.4807 -9.0 886.4800 1 14.73 380 1 55 62
N.KVLTPAE.E Y 15.77 756.4381 -71.5 379.1993 2 13.47 330 2 55 61
total 2 peptides
sp|P11716|RYR1_RABIT
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| Protein Coverage | Supporting Peptides |
Protein Coverage:
Supporting Peptides:
Peptide Uniq -10lgP Mass ppm m/z z RT Scan #Spec Start End PTM
K.ADEENGEK.E Y 24.17 890.3617 183.9 446.2700 2 10.15 200 1 4501 4508
total 1 peptides
tr|A0A1W7RAF4|A0A1W7RAF4_9SCOR
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| Protein Coverage | Supporting Peptides |
Protein Coverage:
Supporting Peptides:
Peptide Uniq -10lgP Mass ppm m/z z RT Scan #Spec Start End PTM
V.SIAPAK.F Y 23.61 585.3486 -44.1 586.3300 1 9.68 182 1 345 350
total 1 peptides
tr|A0A172PWW8|A0A172PWW8_MESMA
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| Protein Coverage | Supporting Peptides |
Protein Coverage:
Supporting Peptides:
Peptide Uniq -10lgP Mass ppm m/z z RT Scan #Spec Start End PTM
R.RPPARSHTK.S Y 20.80 1048.5890 -41.5 525.2800 2 28.81 906 1 1983 1991
total 1 peptides
 


Prepared with PEAKS ™ (bioinfor.com)