TABLE 3.
Pairwise conformational comparisons between the five H77_NS5b molecules in two crystal forms (X1 and X2) and the best-defined J4_NS5b molecule in crystal form O (J4*_O2_B; see the legend to Table 4)
The letters A, B, and C indicate the protein chain used for the analysis; several protein molecules present in each asymmetric unit (Table 2). 〈esd〉, average coordinate error for α carbons in Å. The values are the percentages of residues whose α carbons are not in significantly different positions given tolerance (ESCET lolim parameter) of 2.5 σ (5 σ; for the values in parentheses). Values larger than 98% indicate identical molecules within error (49). With a higher lolim, significant global differences (values smaller than 98%, in bold) are still observed between H77_NS5b and J4_NS5b, whereas no differences remain between H77_NS5b chains and crystal forms. The underlined value refers to the molecules and lolim parameter used for Fig. 2.
| H77_X1_A | H77_X1_B | H77_X1_C | H77_X2_A | H77_X2_B | J4*_O2_B | |
|---|---|---|---|---|---|---|
| 〈esd〉 (Å) | 0.08 | 0.12 | 0.10 | 0.08 | 0.08 | 0.08 |
| H77_X1_A | 97.9 (99.9) | 95.3 (99.9) | 98.2 (100.0) | 93.0 (99.7) | 72.4 (94.9) | |
| H77_X1_B | 95.5 (99.7) | 98.0 (99.9) | 93.2 (99.4) | 80.9 (97.4) | ||
| H77_X1_C | 93.4 (99.8) | 99.4 (100.0) | 81.1 (97.6) | |||
| H77_X2_A | 89.9 (99.2) | 70.5 (93.3) | ||||
| H77_X2_B | 77.7 (96.5) | |||||
| J4*_O2_B |