Skip to main content

Table 1 Optimal seeds for Voronoi tessellation of backbone dihedral angle pair

From: Reduced alphabet of prebiotic amino acids optimally encodes the conformational space of diverse extant protein folds

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

  1. 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