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. 2018 Mar 12;18:209–233. doi: 10.1016/j.dib.2018.03.034

Table 8.

Disulfide bond SS7 (Cys95-Cys113) and SS8 (Cys115-Cys129) peptides.

Assignment Theoretical Mass (Da) Observed Mass (Da) Mass Error (Da) Intensity (counts) Identification
39 Fragments Constituent Peptides 11 Fragments 1/a2 200.1399 200.141 −0.0011 247 QV
1/a3 301.1876 301.1464 0.0412 100 QVT
1/b1 129.0664 129.0653 0.0011 33 Q
1/y1 147.1133 147.1145 −0.0012 1258 K
1/y3 318.1777 318.1789 −0.0012 47 NGK
1/y4 375.1992 375.2 −0.0008 52 GNGK
2/a2 131.082 131.0274 0.0546 30 T
2/b1 102.0555 102.0558 −0.0003 107 T
2/b2 159.077 159.0768 0.0002 140 TG
2/y2 204.1348 204.0705 0.0643 30 GK
2/y4 431.2618 431.2624 −0.0006 72 NIGK


 

 

 

 

 


Cys95 to Cys113 3 Fragments 1/b7-2/b5 1105.441 1105.43 0.0109 157 QVTCGNG=TGVCS
1/y6-2/a4 909.3923 909.4301 −0.0378 58 TCGNGK=TGVC
1/y6-2/b4 937.3871 937.3987 −0.0115 257 TCGNGK=TGVC


 

 

 

 

 


Cys115 to Cys129 4 Fragments 2/y5-3/b2 722.2966 722.3025 −0.0059 45 CNIGK=CS
2/y5-3/y3 868.4021 868.3544 0.0477 103 CNIGK=CSK
2/y6-3/a2 781.3337 781.4172 −0.0835 21 SCNIGK=CS
2/y6-3/b2 809.3286 809.3259 0.0027 90 SCNIGK=CS


 

 

 

 

 


T12, T14, and T16 linkage 21 Fragments 1/a4-2/a6-3/a1 997.3728 997.3982 −0.0254 39 QVTC=TGVCSC=C
1/a4-2/a6-3/a2 1084.405 1084.434 −0.0294 146 QVTC=TGVCSC=CS
1/a4-2/a8-3/b2 1339.527 1339.585 −0.0582 210 QVTC=TGVCSCNI=CS
1/a4-2/y8-3/y3 1558.685 1558.64 0.0449 111 QVTC=VCSCNIGK=CSK
1/a5-2/a6-3/a1 1054.394 1054.432 −0.0376 60 QVTCG=TGVCSC=C
1/a6-2/y8-3/y3 1729.749 1729.66 0.089 51 QVTCGN=VCSCNIGK=CSK
1/a7-2/a7-3/b1 1367.497 1367.472 0.0244 33 QVTCGNG=TGVCSCN=C
1/b5-2/a9-3/b2 1481.565 1481.493 0.0713 35 QVTCG=TGVCSCNIG=CS
1/b6-2/a7-3/b1 1338.47 1338.53 −0.0596 72 QVTCGN=TGVCSCN=C
1/b6-2/b9-3/y3 1769.708 1769.651 0.0566 1155 QVTCGN=TGVCSCNIG=CSK
1/y5-2/b6-3/y3 1360.512 1360.561 −0.0487 249 CGNGK=TGVCSC=CSK
1/y5-2/b9-3/b1 1411.523 1411.599 −0.0762 348 CGNGK=TGVCSCNIG=C
1/y5-2/y8-3/a1 1371.564 1371.529 0.035 254 CGNGK=VCSCNIGK=C
1/y5-2/y8-3/b2 1486.591 1486.645 −0.0536 270 CGNGK=VCSCNIGK=CS
1/y6-2/y10-3/y3 1891.814 1891.761 0.0521 105 TCGNGK=TGVCSCNIGK=CSK
1/y7-2/b8-3/b2 1641.649 1641.631 0.0188 78 VTCGNGK=TGVCSCNI=CS
1/y7-2/y10-3/y3 1990.882 1990.798 0.0837 124 VTCGNGK=TGVCSCNIGK=CSK
1/y7-2/y8-3/b2 1686.707 1686.75 −0.0424 6211 VTCGNGK=VCSCNIGK=CS
1/y8-2/b8-3/b1 1682.676 1682.723 −0.0466 32 QVTCGNGK=TGVCSCNI=C
1/y8-2/b9-3/y3 1972.835 1972.819 0.0156 407 QVTCGNGK=TGVCSCNIG=CSK
1/y8-2/y10-3/y3 2118.94 2118.932 0.0085 4955 QVTCGNGK=TGVCSCNIGK=CSK