Small Libraries of Protein Fragments Accurately Model Native Protein Structures
Authors: Rachel Kolodny, Patrice Koehl, Leonidas Guibas and Michael Levitt
Supplementary data to
Fragment Length | Library Size | Complexity [States/Residue]A | AverageB Local cRMSD (Å) | AverageB Global cRMSD (Å) | Data File | Angle Data File |
---|---|---|---|---|---|---|
4 | 4 | 4 | 0.39 | 2.23 | lib_4_z_4.txt | |
4 | 6 | 6 | 0.35 | 1.64 | lib_6_z_4.txt | |
4 | 7 | 7 | 0.33 | 1.48 | lib_7_z_4.txt | |
4 | 8 | 8 | 0.32 | 1.39 | lib_8_z_4.txt | |
4 | 10 | 10 | 0.30 | 1.12 | lib_10_z_4.txt | |
4 | 12 | 12 | 0.28 | 1.01 | lib_12_z_4.txt | |
4 | 14 | 14 | 0.26 | 0.92 | lib_14_z_4.txt | |
5 | 10 | 3.16 | 0.57 | 2.57 | lib_10_z_5.txt | |
5 | 20 | 4.47 | 0.47 | 1.85 | lib_20_z_5.txt | lib_20_z_5.ang |
5 | 30 | 5.48 | 0.43 | 1.59 | lib_30_z_5.txt | |
5 | 40 | 6.32 | 0.40 | 1.41 | lib_40_z_5.txt | lib_40_z_5.ang |
5 | 50 | 7.07 | 0.39 | 1.28 | lib_50_z_5.txt | |
5 | 60 | 7.75 | 0.37 | 1.20 | lib_60_z_5.txt | |
5 | 80 | 8.94 | 0.35 | 1.06 | lib_80_z_5.txt | lib_80_z_5.ang |
5 | 100 | 10 | 0.34 | 0.99 | lib_100_z_5.txt | lib_100_z_5.ang |
5 | 150 | 12.25 | 0.31 | 0.86 | lib_150_z_5.txt | |
5 | 225 | 15 | 0.29 | 0.76 | lib_225_z_5.txt | |
6 | 40 | 3.42 | 0.65 | 2.30 | lib_40_z_6.txt | |
6 | 60 | 3.91 | 0.59 | 2.02 | lib_60_z_6.txt | |
6 | 70 | 4.12 | 0.58 | 1.92 | lib_70_z_6.txt | |
6 | 80 | 4.31 | 0.56 | 1.87 | lib_80_z_6.txt | |
6 | 100 | 4.64 | 0.54 | 1.72 | lib_100_z_6.txt | |
6 | 200 | 5.85 | 0.48 | 1.41 | lib_200_z_6.txt | |
6 | 300 | 6.69 | 0.45 | 1.26 | lib_300_z_6.txt | |
7 | 50 | 2.66 | 0.85 | 2.89 | lib_50_z_7.txt | |
7 | 100 | 3.16 | 0.76 | 2.41 | lib_100_z_7.txt | |
7 | 150 | 3.50 | 0.72 | 2.16 | lib_150_z_7.txt | |
7 | 200 | 3.76 | 0.68 | 2.04 | lib_200_z_7.txt | |
7 | 250 | 3.98 | 0.66 | 1.91 | lib_250_z_7.txt |
A The complexity, or the average number of states per residue, of a fragments library is |L|1/(f-3) where |L| is the library size and f is the length of the fragments in the library.
B The average is taken over the approximations of the test set proteins.