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. 2022 Dec 13;12(12):1866. doi: 10.3390/biom12121866

Table 3.

Screening peptides by peptide ranker and molecular docking.

Num Peptide Sequence Formula Length Molecular
Weight
Peptide
Ranker
-Libdock
Score
ToxinPred ALC tR
1 GPXGPPGPGP C38H56N10O12 10 844.403 0.948 221.210 Non-toxicity 96 16.19
2 WFXGPR C38H50N10O8 6 774.376 0.987 212.183 Non-toxicity 96 13.55
3 GPPGPXGPGP C38H56N10O12 10 844.403 0.948 209.382 Non-toxicity 97 15.15
4 GPXGPXGPGX C38H56N10O14 10 876.383 0.948 205.059 Non-toxicity 97 11.35
5 GPXGPXGPGP C38H56N10O13 10 860.393 0.948 204.386 Non-toxicity 99 13.76
6 GFXGFQ C32H41N7O9 6 667.292 0.951 202.225 Non-toxicity 97 36.35
7 GPXGPXGGPR C39H61N13O13 10 919.441 0.950 198.751 Non-toxicity 99 8.53
8 GPXGPGXGMP C38H58N10O13S 10 894.381 0.954 194.667 Non-toxicity 97 18.2
9 GPPGPPGPGP C38H56N10O11 10 828.413 0.948 192.787 Non-toxicity 97 18.68
10 FXGFQ C30H38N6O8 5 610.270 0.971 189.562 Non-toxicity 95 33.49
11 FFXGPK C36H49N7O8 6 707.359 0.957 189.253 Non-toxicity 99 17.38
12 FXGMY C30H39N5O8S 5 629.247 0.975 187.274 Non-toxicity 96 34.32
13 LXGPLF C33H50N6O8 6 658.364 0.963 185.441 Non-toxicity 99 44.96
14 FXGPR C27H40N8O7 5 588.297 0.967 178.364 Non-toxicity 97 11.16
15 FXGFM C30H39N5O7S 5 613.252 0.994 177.207 Non-toxicity 95 46.23
16 GFXGPR C29H43N9O8 6 645.319 0.961 173.383 Non-toxicity 97 11.97
17 FXGPF C30H37N5O7 5 579.264 0.994 165.885 Non-toxicity 95 41.44
18 SGPLF C25H37N5O7 5 519.269 0.953 165.737 Non-toxicity 96 37.19
19 LXGFM C27H41N5O7S 5 579.268 0.974 163.263 Non-toxicity 98 40.22
20 FXGGLM C29H44N6O8S 6 636.289 0.963 162.622 Non-toxicity 96 38.19
21 LGPF C22H32N4O5 4 432.237 0.970 148.961 Non-toxicity 99 37.6
22 LPGPF C27H39N5O6 5 529.290 0.973 148.511 Non-toxicity 99 41.31
23 LXGPF C27H39N5O7 5 545.280 0.973 148.113 Non-toxicity 99 34.29
24 FXGAP C24H33N5O7 5 503.233 0.948 146.510 Non-toxicity 97 16.05
25 GPLF C22H32N4O5 4 432.237 0.973 136.346 Non-toxicity 95 34.93

X: Hyp.