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 Scans1019
# of MS/MS Scans1019
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 Matches51
Peptide Sequences35
Protein Groups11
Proteins24
Proteins (#Unique Peptides)2 (>2); 3 (=2); 19 (=1);
FDR (Peptide-Spectrum Matches)21.6%
FDR (Peptide Sequences)31.4%
FDR (Protein)37.5%
De Novo Only Spectra32
Table 4. PTM profile.
Name ∆Mass #PSM Position
Carbamidomethyl57.0215C
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 17267110

4. Other Information

Table 6. Search parameters.
Search Engine Name: PEAKS 7.0
Parent Mass Error Tolerance: 0.5 Da
Fragment Mass Error Tolerance: 0.5 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: 17_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 6157 sp|P00760|TRY1_BOVIN 59.91 11 3 3 N 25785 Serine protease 1 OS=Bos taurus OX=9913 GN=PRSS1 PE=1 SV=3
4 22605 tr|A0A1E1WVV4|A0A1E1WVV4_TITOB 52.38 10 3 3 N 9994 Putative potassium channel toxin OS=Tityus obscurus OX=1221240 PE=4 SV=1
5 17373 tr|A0A1E1WVU5|A0A1E1WVU5_TITOB 50.51 37 2 2 Y 6863 Putative potassium channel toxin OS=Tityus obscurus OX=1221240 PE=4 SV=1
3 20591 sp|P60211|KA181_TITOB 50.45 46 2 2 Y 6530 Potassium channel toxin alpha-KTx 18.1 OS=Tityus obscurus OX=1221240 PE=1 SV=2
2 22602 tr|A0A1V1WBP3|A0A1V1WBP3_9SCOR 36.00 17 1 1 N 5515 Putative K+ channel toxin (Fragment) OS=Superstitionia donensis OX=311983 PE=4 SV=1
7 7824 tr|A0A2I9LP24|A0A2I9LP24_9SCOR 29.65 3 2 2 N 52986 Phosphotransferase OS=Centruroides hentzi OX=88313 PE=3 SV=1
11 9281 tr|A0A8H6XLF0|A0A8H6XLF0_9AGAR 24.48 1 1 1 N 92850 MYND-type domain-containing protein OS=Mycena venus OX=2733690 GN=MVEN_01774400 PE=3 SV=1
22 22607 tr|A0A921QDT3|A0A921QDT3_SORBI 23.21 8 1 1 N 8834 Knottin scorpion toxin-like domain-containing protein OS=Sorghum bicolor OX=4558 GN=BDA96_09G179000 PE=4 SV=1
24 22628 tr|A0A2P5X7C1|A0A2P5X7C1_GOSBA 22.91 2 1 1 Y 24036 Knottin scorpion toxin-like domain-containing protein OS=Gossypium barbadense OX=3634 GN=ES319_A07G046300v1 PE=4 SV=1
24 22629 tr|A0A5D2U426|A0A5D2U426_GOSMU 22.91 2 1 1 Y 24030 Knottin scorpion toxin-like domain-containing protein OS=Gossypium mustelinum OX=34275 GN=E1A91_D07G048400v1 PE=4 SV=1
8 22610 sp|C0HJW2|KA104_CENTE 22.10 15 1 1 Y 3809 Potassium channel toxin alpha-KTx 10.4 OS=Centruroides tecomanus OX=1028682 PE=1 SV=1
8 22611 sp|P60210|KAX44_TITOB 22.10 14 1 1 Y 3878 Potassium channel toxin alpha-KTx 4.4 OS=Tityus obscurus OX=1221240 PE=1 SV=1
8 22612 sp|C0HJS9|KAX1I_RHOJU 22.10 14 1 1 Y 4037 Potassium channel toxin alpha-KTx 1.18 OS=Rhopalurus junceus OX=419285 PE=1 SV=1
8 22613 sp|C0HJW1|KAX2F_CENTE 22.10 13 1 1 Y 4129 Potassium channel toxin alpha-KTx 2.15 OS=Centruroides tecomanus OX=1028682 PE=1 SV=1
8 22614 sp|P0C163|KAX2A_CENEL 22.10 13 1 1 Y 4255 Potassium channel toxin alpha-KTx 2.10 OS=Centruroides elegans OX=217897 PE=1 SV=1
8 22615 sp|P85529|KAX2D_CENSU 22.10 13 1 1 Y 4007 Potassium channel toxin alpha-KTx 2.13 OS=Centruroides suffusus OX=6880 PE=1 SV=1
8 996 sp|P59847|KAX25_CENLM 22.10 13 1 1 Y 4226 Potassium channel toxin alpha-KTx 2.5 OS=Centruroides limbatus OX=244936 PE=1 SV=1
8 22616 sp|A0A218QXG2|KTX23_TITSE 22.10 8 1 1 Y 6487 Putative potassium channel toxin Ts23 OS=Tityus serrulatus OX=6887 PE=3 SV=1
8 22617 sp|A0A218QX22|KTX22_TITSE 22.10 8 1 1 Y 6576 Putative potassium channel toxin Ts22 OS=Tityus serrulatus OX=6887 PE=3 SV=1
8 22618 sp|A0A218QWZ7|KTX25_TITSE 22.10 8 1 1 Y 6612 Putative potassium channel toxin Ts25 OS=Tityus serrulatus OX=6887 PE=3 SV=1
8 22619 sp|A0A218QWZ8|KTX24_TITSE 22.10 8 1 1 Y 6723 Putative potassium channel toxin Ts24 OS=Tityus serrulatus OX=6887 PE=3 SV=1
8 22620 tr|A0A2I9LNQ1|A0A2I9LNQ1_9SCOR 22.10 8 1 1 Y 7202 AKTx OS=Centruroides hentzi OX=88313 PE=4 SV=1
8 22625 tr|A0A5S6Q7K7|A0A5S6Q7K7_TRIMR 22.10 4 1 1 Y 14906 Knottin scorpion toxin-like domain-containing protein OS=Trichuris muris OX=70415 PE=4 SV=1
25 12174 tr|A0A6A1V515|A0A6A1V515_9ROSI 21.85 1 1 1 N 63509 Salicylate carboxymethyltransferase OS=Morella rubra OX=262757 GN=CJ030_MR7G011627 PE=4 SV=1
total 24 proteins

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 42.15 2162.0491 201.8 1082.2500 2 30.69 1000 3 73 92
R.LGEDNINVVEGNEQF.I Y 23.23 1675.7689 9.9 838.9000 2 31.41 1026 2 73 87
K.LQGIVSW.G Y 18.43 801.4385 -7.2 802.4400 1 30.35 986 2 210 216
total 3 peptides
tr|A0A1E1WVV4|A0A1E1WVV4_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.EFLGK.I Y 32.32 592.3220 1.2 593.3300 1 14.25 368 1 30 34
A.GKGKEFLGK.I Y 28.62 962.5549 1029.1 482.7800 2 9.55 182 3 26 34
K.GKEFLGK.I Y 17.22 777.4385 -7.4 778.4400 1 8.96 158 1 28 34
total 3 peptides
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 35.38 1250.5271 -1.3 626.2700 2 13.52 340 2 32 41 Carbamidomethylation
K.GKPMDFC(+57.02)KGDTC(+57.02)K.C Y 30.26 1542.6628 3.4 515.2300 3 14.70 386 1 48 60 Carbamidomethylation
total 2 peptides
sp|P60211|KA181_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
A.TGPQTTC(+57.02)QAAM(+15.99)C(+57.02)EAGC(+57.02)K.G Y 33.69 1885.7427 -19.8 943.8600 2 15.47 416 3 27 43 Carbamidomethylation; Oxidation (M)
K.SMESC(+57.02)QGDTC(+57.02)K.C Y 33.50 1301.4686 -2.5 651.7400 2 10.35 214 2 48 58 Carbamidomethylation
total 2 peptides
tr|A0A1V1WBP3|A0A1V1WBP3_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
K.KNKFGKGGK.C Y 36.00 962.5661 1017.4 482.7800 2 9.85 194 6 21 29
total 1 peptides
tr|A0A2I9LP24|A0A2I9LP24_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
R.VDNSVD.L Y 21.14 647.2762 1663.1 649.3600 1 15.20 406 1 247 252
K.RPYTTIGV.D Y 17.02 905.4971 -12.8 453.7500 2 5.45 20 1 410 417
total 2 peptides
tr|A0A8H6XLF0|A0A8H6XLF0_9AGAR
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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.EFGIK.M Y 24.48 592.3220 1689.5 594.3300 1 14.90 394 1 99 103
total 1 peptides
tr|A0A921QDT3|A0A921QDT3_SORBI
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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.GQADGK.C Y 23.21 574.2711 -49.3 575.2500 1 16.17 444 1 53 58
total 1 peptides
tr|A0A2P5X7C1|A0A2P5X7C1_GOSBA
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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.EIC(+57.02)GK.R Y 22.91 605.2843 -1687.7 605.2700 1 5.61 26 1 160 164 Carbamidomethylation
total 1 peptides
tr|A0A5D2U426|A0A5D2U426_GOSMU
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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.EIC(+57.02)GK.R Y 22.91 605.2843 -1687.7 605.2700 1 5.61 26 1 160 164 Carbamidomethylation
total 1 peptides
sp|C0HJW2|KA104_CENTE
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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
A.C(+57.02)KC(+57.02)YP.Y Y 22.10 726.2829 -0.3 727.2900 1 8.71 148 2 27 31 Carbamidomethylation
total 1 peptides
sp|P60210|KAX44_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.C(+57.02)KC(+57.02)YP Y 22.10 726.2829 -0.3 727.2900 1 8.71 148 2 33 37 Carbamidomethylation
total 1 peptides
sp|C0HJS9|KAX1I_RHOJU
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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.C(+57.02)KC(+57.02)YP Y 22.10 726.2829 -0.3 727.2900 1 8.71 148 2 33 37 Carbamidomethylation
total 1 peptides
sp|C0HJW1|KAX2F_CENTE
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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.C(+57.02)KC(+57.02)YP Y 22.10 726.2829 -0.3 727.2900 1 8.71 148 2 34 38 Carbamidomethylation
total 1 peptides
sp|P0C163|KAX2A_CENEL
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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.C(+57.02)KC(+57.02)YP Y 22.10 726.2829 -0.3 727.2900 1 8.71 148 2 34 38 Carbamidomethylation
total 1 peptides
sp|P85529|KAX2D_CENSU
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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.C(+57.02)KC(+57.02)YP Y 22.10 726.2829 -0.3 727.2900 1 8.71 148 2 34 38 Carbamidomethylation
total 1 peptides
sp|P59847|KAX25_CENLM
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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.C(+57.02)KC(+57.02)YP.H Y 22.10 726.2829 -0.3 727.2900 1 8.71 148 2 34 38 Carbamidomethylation
total 1 peptides
sp|A0A218QXG2|KTX23_TITSE
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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.C(+57.02)KC(+57.02)YP Y 22.10 726.2829 -0.3 727.2900 1 8.71 148 2 55 59 Carbamidomethylation
total 1 peptides
sp|A0A218QX22|KTX22_TITSE
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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.C(+57.02)KC(+57.02)YP Y 22.10 726.2829 -0.3 727.2900 1 8.71 148 2 55 59 Carbamidomethylation
total 1 peptides
sp|A0A218QWZ7|KTX25_TITSE
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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.C(+57.02)KC(+57.02)YP Y 22.10 726.2829 -0.3 727.2900 1 8.71 148 2 55 59 Carbamidomethylation
total 1 peptides
sp|A0A218QWZ8|KTX24_TITSE
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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.C(+57.02)KC(+57.02)YP Y 22.10 726.2829 -0.3 727.2900 1 8.71 148 2 55 59 Carbamidomethylation
total 1 peptides
tr|A0A2I9LNQ1|A0A2I9LNQ1_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
K.C(+57.02)KC(+57.02)YP Y 22.10 726.2829 -0.3 727.2900 1 8.71 148 2 59 63 Carbamidomethylation
total 1 peptides
tr|A0A5S6Q7K7|A0A5S6Q7K7_TRIMR
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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.C(+57.02)KC(+57.02)YP.Y Y 22.10 726.2829 -0.3 727.2900 1 8.71 148 2 70 74 Carbamidomethylation
total 1 peptides
tr|A0A6A1V515|A0A6A1V515_9ROSI
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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.VPPIGE.P Y 21.85 610.3326 -540.4 611.0100 1 17.44 494 1 39 44
total 1 peptides
 


Prepared with PEAKS ™ (bioinfor.com)