. Author manuscript; available in PMC: 2021 Sep 1.

Published in final edited form as: Prostate. 2020 Jul 20;80(13):1071–1086. doi: 10.1002/pros.24031

Table 3.

Example of COL1A1 and COL1A2 collagen peptides mapping to image data. Area under the receiver operating curve was used to determine if the peptides could discriminate between pathologist defined tumor and inflammation. AUC ≥0.700 was used as a test result indicating high sensitivity and specificity in distinguishing between same patient inflammation and tumor regions, p-value was <0.001.

Collagen α−1(I) chain (COL1A1)

Sequence^a	Modified^b	AA position	Peptide Score^c	Theoretical M+H	Observed m/z	Mass Error (PPM)	AUC INF vs Tumor

GPVGPVGAR	No	1076–1084	167.3	809.4628	809.4617	1.4	0.743
GPRGETGPA	No	908–916	154.7	841.4163	841.4165	−0.29	0.751
GPAGERGEQ	No	626–634	168.3	900.4170	900.4181	−1.2
GPAGARGNDGATGAA	No	317–331	163.5	1242.5822	1242.5799	1.8	0.740
GPAGERGSP(1)	514	505–514	143.4	843.3955	843.3953	0.26	0.786
GPAGQDGRP(1)	565	556–565	116.4	870.4064	870.4074	−1.1	0.738
GKDGLNGLP(1)	1159	1150–1159	115.7	886.4629	886.4606	2.6	0.873
GPAGRP(1)GEVGP (0.003)P(0.997)	919;925	913–925	209.7	1122.5538	1122.5520	1.6	0.887
GPRGLP(1)GER	307	301–310	242.1	954.5116	954.5089	2.8	0.896

Collagen α−2(I) chain (COL1A2)

GPVGRTGEVGAV	No	826–837	152.3	1098.5902	1098.5925	−2.1	0.755
GERGLHGEF	No	571–579	121.6	1001.4799	1001.4829	−3.0	0.765
GPAGATGDRGEAGAAGPA	No	685–702	188.1	1482.6932	1482.6972	−2.7
GPAGARGSDGSVGPV	No	229–243	182.4	1283.6339	1283.6338	0.04	0.798
GLVGEP(1)GPA	348	343–351	139.3	1082.6317	1082.6347	−2.8	0.884
GSP(1)GERGEVGPA	711	709–720	112.9	1343.6186	1343.6217	−2.3	0.798

Abbreviations: AA- amino acid; I, m/z – mass to charge; Mass error in PPM- parts per million; INF- Inflammation.

^a-

Sequences with hydroxyproline site probabilities listed in parenthesis if present;

^b-

Proline site modification;

^c-

peptide score is (-log probability).