seed # | γi-1 | γi |
---|
1 | 0.0 | 2.4 |
2 | 0.3 | 2.8 |
3 | 0.6 | 5.9 |
4 | 1.8 | 3.8 |
5 | 1.9 | 2.2 |
6 | 2.1 | 1.5 |
7 | 2.2 | 5.7 |
8 | 2.5 | 2.1 |
9 | 2.6 | 2.1 |
10 | 3.0 | 1.3 |
11 | 4.6 | 4.0 |
12 | 4.6 | 0.9 |
13 | 4.7 | 6.0 |
14 | 4.8 | 5.0 |
15 | 4.9 | 2.5 |
16 | 6.1 | 6.0 |
- The variables γi-1 and γi characterize the dihedral angles (in radians) operating on the virtual Cαi-1-Cαi and Cαi-Cαi + 1 bonds respectively. These seeds define the information-optimal Voronoi tessellation of the virtual dihedral angle space into 16 polyhedra (illustrated in Fig. 3). Each point in the two-dimensional space can be assigned to one of the 16 partitions to which seed it is closest, based on Euclidean distance