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Table 2 Characterization of SELDI-TOF-MS biomarkers: P values were obtained according to the non-parametric Mann–Whitney U test (see also Additional file 4: Appendix Table 1)

From: Biomarkers of inflammation and innate immunity in atrophic nonunion fracture

m/z

MW

ID

Amino acid sequence

Regulation

HV vs. NU

P value

Q value

Adj. P value

Hepcidin (P81172)

 2191

2199

Hepcidin-20 (frag 65–84)

ICIFCCGCCHRSKCGMCCKT

Up

<0.001

0.007

0.023

 2792

2797

Hepcidin-25 (frag 60–84)

DTHFPICIFCCGCCHRSKCGMCCKT

Up

<0.001

0.004

0.023

PACAP-related peptide (P18509)

 4798

4800

PRP-48 (frag 82–129)

DVAHGILNEAYRKVLDQLSAGKHLQSLVARGVGGSLGGGAGDDAEPLS

Up

<0.001

0.021

0.037

Hemoglobin β subunit (P68871)

 15866

15867

Hemoglobin β subunit (frag 2–147)

VHLTPEEKSAVTALWGKVNVDEVGGEALGRLLVVYPWTQRFFESF

GDLSTPDAVMGNPKVKAHGKKVLGAFSDGLAHLDNLKGTFATLSE

LHCDKLHVDPENFRLLGNVLVCVLAHHFGKEFTPPVQAAYQKVVA

GVANALAHKYH

Up

0.021

NS

NS

 7931

15867

Hemoglobin β subunit (frag 2–147) [2H+]

VHLTPEEKSAVTALWGKVNVDEVGGEALGRLLVVYPWTQRFFESF

GDLSTPDAVMGNPKVKAHGKKVLGAFSDGLAHLDNLKGTFATLSE

LHCDKLHVDPENFRLLGNVLVCVLAHHFGKEFTPPVQAAYQKVVA

GVANALAHKYH

Up

<0.001

0.020

0.027

S100A8 (P05109) and S100A9 (P06702)

 10844

10835

S100A8 (frag 1–93)

MLTELEKALNSIIDVYHKYSLIKGNFHAVYRDDLKKLLETECPQYIR

KKGADVWFKELDINTDGAVNFQEFLILVIKMGVAAHKKSHEESHKE

Up

<0.001

0.008

0.0002

 5419

10835

S100A8 (frag 1–93) [2H+]

MLTELEKALNSIIDVYHKYSLIKGNFHAVYRDDLKKLLETECPQYIR

KKGADVWFKELDINTDGAVNFQEFLILVIKMGVAAHKKSHEESHKE

Up

<0.001

0.022

 

 13269

13274

S100A9 (frag 1–114) [oxydized form]

MTCKMSQLERNIETIINTFHQYSVKLGHPDTLNQGEFKELVRKDLQ

NFLKKENKNEKVIEHIMEDLDTNADKQLSFEEFIMLMARLTWASH

EKMHEGDEGPGHHHKPGLGEGTP

Up

<0.001

0.004

0.0024

 6346

12691

S100A9* (frag 5–114) [2H+] [Ser-actelyl]

S(ac)QLERNIETIINTFHQYSVKLGHPDTLNQGEFKELVRKDLQ

NFLKKENKNEKVIEHIMEDLDTNADKQLSFEEFIMLMARLTWASH

EKMHEGDEGPGHHHKPGLGEGTP

Up

<0.001

0.013

 

Inter-alpha-trypsin inhibitor H4 (ITIH4) (Q14624)

 3157

3157

ITIH4 (isoform 1) frag 617–644

NVHSGSTFFKYYLQGAKIPKPEASFSPR

Down

<0.001

0.007

0.017

 3179

3180

ITIH4 (isoform 1) frag 617–644 [aduct Na+]

NVHSGSTFFKYYLQGAKIPKPEASFSPR

Down

<0.001

0.007

0.017

 3974

3972

ITIH4 (isoform 1) frag 650–687

QAGAAGSRMNFRPGVL

SSRQLGLPGPPDVPDHAAYHPF

Down

<0.001

0.020

 

 4282

4282

ITIH4 (isoform 2) frag 617–657

NVHSAGAAGSRMNFRPGVLSSRQLGLPGPPDVPDHAAYHPF

Down

<0.001

0.015

 

 4299

4298

ITIH4 (isoform 2) frag 617–657 [Met.Ox]

NVHSAGAAGSRM(ox)NFRPGVLSSRQLGLPGPPDVPDHAAYHPF

Down

<0.001

0.015

 

Complement C3 alpha chain (P01024)

 8132

8132

C3a (frag 672–739)

SVQLTEKRMDKVGKYPKELRKCCEDGMRENPMRFSCQRRTRFISLG

EACKKVFLDCCNYITELRRQHA

Down

<0.001

0.022

NS

Apolipoprotein A–I (P02647)

 28106

28061

ApoA1 (frag 25–267)

DEPPQSPWDRVKDLATVYVDVLKDSGRDYVSQFEGSALGKQLNLKL

Down

<0.001

0.029

NS

 28099

  

LDNWDSVTST FSKLREQLGPVTQEFWDNLEKETEGLRQEMSKDLEE

VKAKVQPYLDDFQK KWQEEMELYRQKVEPLRAELQEGARQKLHEL

QEKLSPLGEEMRDRARAHVDALRTHLAPY SDELRQRLAARLEALKEN

GGARLAEYHAKATEHLSTLSEKAKPALEDLRQGLLPVLESFKVSFLSALEEYTKKLNT

Down

<0.001

0.05

 
  1. Associated Q values were calculated using FDR (1000 permutations) for multiple testing. Adjusted P value for age, gender, smoking status, consumption of alcohol and the presence of pulmonary diseases were performed by multivariate analysis on the SAS software version 9.4
  2. m/z mass/charge ratio of the peak detected by SELDI-TOF-MS, MW molecular weight of the related protein or peptide, ID identification of the related protein or peptide, NS not significant