Table 1

Number of nodes and edges of the CG constructed with classical and new building rules

pattern

peptide

# CG nodes

# CG edges


P1

G1

13/12

22/19

P2

G1

16/16

43/29

P3

G1

35/30

210/100

P3

G2

25/15

100/0

P4

G2

10/8

14/9

Ala-1(a)

Ala(b)

73/73

1918/286

(X)19(c)

Ala(b)

380/346

53010/3948


Patterns P1–P4 and peptides G1–G2 refer to Figure 1. In all examples, k is equal to the pattern size. In columns 3 and 4, data shown in regular and bold font concern respectively the classical and modified CG building rules.

(a) linear pattern of size 19 corresponding to alamethicin F50 without the last monomer

(b) alamethicin F50 [NORINE:NOR00007]

(c) linear pattern of 19 'X' monomers

Caboche et al. BMC Structural Biology 2009 9:15   doi:10.1186/1472-6807-9-15

Open Data