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. Author manuscript; available in PMC: 2014 Feb 10.
Published in final edited form as: J Ethnopharmacol. 2013 Nov 8;151(1):299–306. doi: 10.1016/j.jep.2013.10.044

Table 1. Cyclotide identification in active subfractions VT 3.1F and VT 3.1G.

Cyclotidea Sequenceb MW
(mono.)c 		Evidenced Theoretical MW
(mono.) (Da)e 		ΔMW
[ppm]f 		Cyclotide
classg
VT 3.1F
 [R28A]kalata B1 GLPVCGETCVGGTCNTPG---CTCSWPV-CTAN 2805.73 I 2805.08 231 M
 cO12 (varv E) GLPICGETCVGGTCNTPG---CSCSWPV-CTRN 2890.35 IC 2890.14 73 B
 kalata B1 (kB1) GLPVCGETCVGGTCNTPG---CTCSWPV-CTRN M
 kalata B4 GLPVCGETCVGGTCNTPG---CTCSWPV-CTRD 2892.05 I 2891.12 324 M
 hyma A partial ----CGETCLFIPCIFSVVG-CSCSSKV-CYRN 2894.72 I 2893.22 519 B
 acyclic kalata B1 GLPVCGETCVGGTCNTPG---CTCSWPV-CTRN 2908.66 I 2908.15 176
 vitri E GLPVCGETCVGGTCNTPG---CSCSWPV-CFRN 2922.61 I 2922.14 161 M
 vibi B GXPVCGETCFGGTCNTPG---CTCSYPI-CTRN 2928.65 IC 2929.14 167 M
 [P20D,V21K]kB1 GLPVCGETCVGGTCNTPG---CTCSWDK-CTRN 2936.63 I 2937.14 174 M
 kalata B2 GLPVCGETCFGGTCNTPG---CSCTWPI-CTRD 2953.20 I 2953.14 20 M
 vaby D GLPVCGETCFGGTCNTPG---CTCDPWPVCTRN 3064.94 I 3063.19 573 M
 kalata B3 GLPTCGETCFGGTCNTPG---CTCDPWPICTRD 3080.87 I 3080.17 229 M
 vibiE -GIPCAESCVWIPCTVTALIGCGCSNKV-CYN- 3080.17 229 B
 mram11 GHPTCGETCLLGTCYTPG---CTCKRPV-CYKN 3079.02 603 B
 cO29 -GIPCGESCVWIPCISGAIG—CSCKSKV-CYKN 3080.29 190 B
 caripe 4h -LICSSTCLRIPCLSPR—CTCRHHI---CYLN 3080.35 171 M
 viba 6 -GIPCGESCVLIPCISSVIG-CSCKSKV-CYRN 3093.38 I 3093.4 5 B
 cO5 -GTPCGESCVWIPCISSAVG-CSCKNKV-CYKN 3111.83 I 3111.32 164 B
 globa A -GIPCGESCVFIPCITAAIG-CSCKTKV-CYRN 3111.39 141 B
VT 3.1G
 kalata B4 GLPVCGETCVGGTCNTPG---CTCSWPVCTRD 2892.74 IC 2891.12 561 M
 vitri E GLPVCGETCVGGTCNTPG---CSCSWPVCFRN 2922.55 IC 2922.14 141 M
 viba 10 -GIPCAESCVYLPCVTIVIG-CSCKDKVCY-N 3056.62 I 3055.34 418 B
 Hyfl k -GTPCGESCVYIPCFTAVVG-CTCKDKVCYLN 3148.60 3148.33 85 B
 vibi k -GIPCGESCVWIPCLTSAVG-CPCKSKVCYRN 3148.39 66 B
 vitri A -GIPCGESCVWIPCITSAIG-CSCKSKVCYRN 3153.86 I 3152.38 469 B
 cO3 -GIPCGESCVWIPCLTSAIG-CSCKSKVCYRN 3152.38 469 B
 cO7 -SIPCGESCVWIPCTITALAGCKCKSKVCYN- 3152.41 459 B
 cO20 -GIPCGESCVWIPCLTSAIG-CSCKSKVCYRD 3153.36 158 B
a

Identification by comparison of determined mass using MS Reconstruct tool of Analyst 1.5.1 software of a LC-MS EMS Scan (1000 Da/s, scan sum = 2) with CyBase database using a mass tolerance of ± 1 Da.

b

Sequences from http://www.cybase.org.

c

Observed molecular weight.

d

Score providing evidence for the quality of the deconvoluted mass of a hit (≤ 1 Da) and criteria for identification: I=isotope distribution and C=charge state of all observed multi charged ions.

e

Theoretical masses calculated from amino acid sequences via free available mass calculator ProtParam tool from http://www.expasy.org and addition of exact mass of 24.063 Da to cyclization and folding.

f

Peptide mass tolerance: (theoretical mass-detected mass)-theoretical mass × 106 [ppm].

g

M=Möbius and B=bracelet.

h

Sequence from transcriptome-mining approach reported in (Koehbach et al., 2013).