Table 3. Total canonical structure indicating correlation coefficient (r) between original variables (amino acids) and the scores of CDF 1 and CDF 2 for the primary, surface-exposed, and buried residue data sets.
| CDF 1
|
CDF 2
|
“R” group character
|
|||
|---|---|---|---|---|---|
| Variable | r | P | r | P | |
| Primary | |||||
| Asp | 0.68 | 0.0005 | 0.05 | 0.80 | Acidic |
| Glu | -0.66 | 0.0009 | 0.03 | 0.89 | Acidic |
| His | 0.62 | 0.0022 | 0.12 | 0.59 | Basic |
| Val | -0.56 | 0.0072 | 0.25 | 0.25 | Hydrophobic |
| Ser | 0.56 | 0.0073 | -0.47 | 0.02 | Polar |
| Tyr | -0.53 | 0.010 | -0.10 | 0.64 | Polar/aromatic |
| Met | 0.53 | 0.011 | 0.07 | 0.74 | Hydrophobic |
| Thr | 0.50 | 0.017 | -0.02 | 0.94 | Polar |
| Ala | 0.47 | 0.026 | 0.19 | 0.39 | Hydrophobic |
| Lys | -0.47 | 0.029 | -0.16 | 0.47 | Basic |
| Gln | 0.45 | 0.037 | 0.05 | 0.83 | Polar |
| Surface-exposed | |||||
| Ser | 0.73 | 0.0001 | 0.43 | 0.04 | Polar |
| Gln | 0.71 | 0.0002 | 0.045 | 0.84 | Polar |
| Val | -0.67 | 0.0006 | -0.12 | 0.59 | Hydrophobic |
| Glu | -0.58 | 0.0048 | -0.04 | 0.85 | Acidic |
| Lys | -0.56 | 0.0062 | 0.20 | 0.36 | Basic |
| Met | 0.52 | 0.012 | 0.008 | 0.97 | Hydrophobic |
| His | 0.45 | 0.03 | -0.45 | 0.03 | Basic |
| Asp | 0.17 | 0.44 | -0.48 | 0.02 | Acidic |
| Arg | 0.17 | 0.45 | -0.42 | 0.05 | Basic |
| Buried | |||||
| Tyr | -0.84 | <.0001 | -0.04 | 0.84 | Polar/aromatic |
| Asp | 0.79 | <.0001 | -0.05 | 0.82 | Acidic |
| His | 0.72 | 0.0001 | 0.17 | 0.46 | Basic |
| Ser | 0.60 | 0.0031 | -0.54 | 0.009 | Polar |
| Thr | 0.58 | 0.0043 | -0.10 | 0.65 | Polar |
| Glu | -0.57 | 0.0055 | 0.14 | 0.54 | Acidic |
| Ala | 0.51 | 0.015 | 0.10 | 0.65 | Hydrophobic |
| Lys | -0.50 | 0.019 | -0.09 | 0.69 | Basic |
| Ile | -0.42 | 0.048 | -0.36 | 0.10 | Hydrophobic |
Data are ranked in descending order by the absolute value of the correlations for CDF 1 and only significant variables (P < 0.05) are shown. “R” group character refers to the chemical character of the amino acid residue side chain. Significant variables on CDF 1 are shown in normal font. Data in bold are significant on CDF 1 and CDF 2, and data in bold italic are significant on CDF 2 only. A positive correlation between a variable and CDF 1 for all data sets indicates an increase in that variable in the transition from thermophile to mesophile and psychrophile. A negative correlation between a variable and CDF 2 in the primary and buried data sets indicates an increase in that variable in the transition from mesophile and thermophile to psychrophile. A negative correlation between a variable and CDF 2 in the surface data set indicates a decrease in that variable in the transition from mesophile and thermophile to psychrophile.