Table 1.
Parameters reflecting the quality of the Dengue polymerase model calculated by PROCHECK [25]. Parameter values represent observed values for the Dengue polymerase model produced by the cavity space-aided approach compared to typical values obtained refined structures at 2.9 Å.
| Stereochemical parameters | Number of data points | Parameter value | Typical value | Band width | Number of band widths from mean | Quality compared to structures at 2.9 Å |
|---|---|---|---|---|---|---|
| A: main chain parameters | ||||||
| Percentage residues in A, B, L | 490 | 71.0 | 68.7 | 10.0 | 0. | Inside |
| Omega angle st dev | 545 | 9.0 | 6.0 | 3.0 | 1.0 | Inside |
| Bad contacts/100 residues | 0 | 0.0 | 17.9 | 10.0 | −1.8 | BETTER |
| Zeta angle st dev | 508 | 3.3 | 3.1 | 1.6 | 0.1 | Inside |
| H-bond energy st dev | 290 | 0.7 | 1.0 | 0.2 | −1.7 | BETTER |
| Overall G-factor | 547 | −1.0 | −0.8 | 0.3 | −0.9 | Inside |
|
| ||||||
| B: side chain parameters | ||||||
| Chi-1 gauche minus st dev | 86 | 11.5 | 26.3 | 6.5 | −2.3 | BETTER |
| Chi-1 trans st dev | 168 | 11.3 | 25.7 | 5.3 | −2.7 | BETTER |
| Chi-1 gauche plus st dev | 203 | 12.1 | 24.3 | 4.9 | −2.5 | BETTER |
| Chi-1 pooled st dev | 457 | 12.9 | 25.1 | 4.8 | −2.5 | BETTER |
| Chi-2 trans st dev | 109 | 13.5 | 25.3 | 5.0 | −2.3 | BETTER |