Table 3.
Fractional Secondary Structure Approximations Are Given for the CONTIN/LL, SELCON3, CDSSTR, and NN-LSQ Fitted CD Deconvolution Methods
| Helix | Strand | Turn | Unordered | RMSD in Δε | ||
|---|---|---|---|---|---|---|
| RRK | ∗SELCON3 | 0.00 | −0.06 | −0.07 | 1.28 | 15.86 |
| CDSSTR | 0.15 | 0.32 | 0.28 | 0.24 | 1.38 | |
| CONTIN/LL | 0.01 | 0.01 | 0.10 | 0.88 | 0.35 | |
| NN-LSQ | 0.04 | 0.15 | 0.09 | 0.72 | 0.26 | |
| RAK | SELCON3 | 0.04 | 0.03 | 0.01 | 0.94 | 4.72 |
| CDSSTR | 0.17 | 0.29 | 0.23 | 0.31 | 0.84 | |
| CONTIN/LL | 0.03 | 0.02 | 0.08 | 0.87 | 0.40 | |
| NN-LSQ | 0.04 | 0.22 | 0.13 | 0.62 | 0.23 | |
| AAA | SELCON3 | 0.29 | 0.20 | 0.19 | 0.36 | 3.26 |
| CDSSTR | 0.37 | 0.30 | 0.16 | 0.17 | 0.63 | |
| CONTIN/LL | 0.03 | 0.05 | 0.30 | 0.62 | 0.44 | |
| NN-LSQ | 0.04 | 0.34 | 0.17 | 0.46 | 0.36 | |
The approximate CD spectrum representing the CaMKII peptides is recreated from a linear combination of SDP48 known conformation and spectra definitions that we developed. The RMSD between the approximated and experimental spectrum (Δε) is given in unit of M-1 cm -1.
∗
SELCON3 was unable to reach a convergent solution during the analysis of RRK.