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. 2020 Mar 28;25(7):1540. doi: 10.3390/molecules25071540

Table 2.

The number of HBOS outliers and the percentage of the EM-0-4-2019 dataset in different secondary structure categories. “-“ (coil), “T” (hydrogen-bonded turn), “S” (bend between two secondary structures), “G” (3-turn helix), “H” (4-turn helix), “I” (5-turn helix), “E”(extended strand in sheets), and “B” (isolated beta-bridge in β-sheets).

Loop/Turn Sheet Helix - T S Helix Sheet
- S T B E G H I
ARG 35 13 5 0 0 23 1 0 45.45% 6.49% 16.88% 31.17% 0.00%
ASN 29 16 0 0 9 3 0 0 50.88% 0.00% 28.07% 5.26% 15.79%
ASP 50 11 7 0 5 5 4 0 60.98% 8.54% 13.41% 10.98% 6.10%
CYS 27 12 1 2 6 0 14 0 43.55% 1.61% 19.35% 22.58% 12.90%
GLN 132 59 25 0 7 8 61 0 45.21% 8.56% 20.21% 23.63% 2.40%
GLU 182 65 66 0 5 1 76 0 46.08% 16.71% 16.46% 19.49% 1.27%
HIS 2 4 0 0 7 1 2 0 12.50% 0.00% 25.00% 18.75% 43.75%
ILE 176 59 30 5 69 1 83 1 41.51% 7.08% 13.92% 20.05% 17.45%
LEU 1576 614 548 38 509 134 990 32 35.49% 12.34% 13.83% 26.03% 12.32%
LYS 76 27 17 0 0 0 20 0 54.29% 12.14% 19.29% 14.29% 0.00%
MET 63 23 13 18 2 0 27 0 43.15% 8.90% 15.75% 18.49% 13.70%
PHE 10 2 22 0 13 4 42 0 10.75% 23.66% 2.15% 49.46% 13.98%
PRO 122 38 30 0 1 38 38 0 45.69% 11.24% 14.23% 28.46% 0.37%
SER 26 2 7 0 1 0 41 0 33.77% 9.09% 2.60% 53.25% 1.30%
THR 31 7 1 0 1 0 1 0 75.61% 2.44% 17.07% 2.44% 2.44%
TRP 8 3 2 0 0 0 13 0 30.77% 7.69% 11.54% 50.00% 0.00%
TYR 26 17 13 4 45 0 12 0 22.22% 11.11% 14.53% 10.26% 41.88%
VAL 74 39 25 0 12 0 7 0 47.13% 15.92% 24.84% 4.46% 7.64%
Total 2645 1011 812 67 692 218 1432 33 38.28% 11.75% 14.63% 24.36% 10.98%