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Table 2 The cross-validation performances for different types of secondary structure assignments using the SP175 dataset with the PLS algorithm.

From: Novel methods for secondary structure determination using low wavelength (VUV) circular dichroism spectroscopic data

Structure

δ

r

ζ

k

n

3 10 -helix (G)

0.031

0.385

1.04

7

0.04

β R

0.060

0.867

2.00

6

0.16

core β-sheet

0.042

0.879

2.09

6

0.13

β-sheet (parallel)

0.060

0.233

0.99

6

0.02

β-sheet (a-parallel)

0.098

0.806

1.68

6

0.07

β-Turn I

0.065

0.463

1.10

4

0.13

β-Turn II

0.032

0.125

1.00

1

0.03

PP-II helix

0.034

0.641

1.30

4

0.09

  1. The results shown are for the optimal number of principal components k·n is the proportion of residues in the reference dataset identified as having this type of secondary structure. Those secondary structures with ζ values greater than 1.0 are shown in bold.