Table 1. Fit of TBEV E Dimers onto an Icosahedral 2-Fold Axis of the CryoEM Dengue Map.
(A) Using the TBEV Dimer as Determined Crystallographically | ||||||
---|---|---|---|---|---|---|
| ||||||
Fit | Sumf | Clash | –Den | Theta 1 | Cent (x, y, z) | D1, D2, D3 |
down+ | 53.0 | 0.0 | 29.0 | 24.5 | 0.0, 0.0, 232.5 | 48.6, 56.5, 49.4 |
down− | 49.6 | 0.0 | 40.0 | 133.8 | 0.0, 0.0, 230.5 | 41.0, 52.1, 55.9 |
up+ | 44.8 | 0.0 | 82.0 | 119.8 | 0.0, 0.0, 233.5 | 38.1, 48.9, 59.9 |
up− | 40.2 | 0.0 | 116.0 | 30.8 | 0.0, 0.0, 229.5 | 43.3, 36.7, 43.1 |
| ||||||
(B) Using the Dimer Found in Alphaviruses | ||||||
| ||||||
down+ | 32.0 | 0.0 | 196.0 | 170.2 | 0.0, 0.0, 234.5 | 42.9, 23.2, 34.6 |
down− | 31.4 | 0.0 | 159.0 | 103.2 | 0.0, 0.0, 231.0 | 38.1, 25.7, 27.7 |
up+ | 20.0 | 0.0 | 236.0 | 105.2 | 0.0, 0.0, 225.5 | 26.7, 11.6, 31.0 |
up− | 32.0 | 0.0 | 201.0 | 81.0 | 0.0, 0.0, 234.0 | 55.8,37.1, −4.7 |
| ||||||
(C) Exploring the Pixel Size of the Dengue CryoEM Map by Fitting the TBEV E Dimer in the Preferred Down+ Manner | ||||||
| ||||||
Pixel (Å) | Sumf | Clash | –Den | Theta 1 | Cent (x, y, z) | D1, D2, D3 |
| ||||||
2.7 | 50.0 | 0.0 | 47.0 | 29.0 | 0.0, 0.0, 216.5 | 50.0, 54.6, 34.7 |
2.8 | 51.5 | 0.0 | 40.0 | 27.2 | 0.0, 0.0, 224.0 | 50.3, 55.3, 41.9 |
2.9 | 53.0 | 0.0 | 29.0 | 24.5 | 0.0, 0.0, 232.5 | 48.6, 56.5, 49.4 |
3.0 | 47.6 | 0.0 | 62.0 | 25.5 | 0.0, 0.0, 236.5 | 49.6, 47.1, 47.8 |
3.1 | 17.9 | 0.0 | 224.0 | 118.5 | 0.0, 0.0, 220.0 | 17.1, 8.7, 36.8 |
Sumf is the mean density height averaged over all atoms where the maximum density is scaled to have a value of 100; clash is the number of atoms in one molecule that approach closer than 6 A to another, symmetry-related molecule; –den are the number of atoms in negative density; theta 1 is the angle of rotation about the 2-fold axis; cent (x, y, z) is the position in the map onto which is placed the center of gravity of the TBEV E dimer (see Figure 1 for the definition of the coordinate system); D1, D2, D3 are the sumf values (the average atom density relative to the highest density of 100.0 in the map) for each of the three domains; down and up refer to the orientation of the dimer axis along the icosahedral axis; + and − refer to the assumed hand of the cryoEM map. The best fit is shown in each case.