Fragments Data

Supplementary data to

Small Libraries of Protein Fragments Accurately Model Native Protein Structures

Rachel Kolodny, Patrice Koehl, Leonidas Guibas and Michael Levitt

Libraries data files:

Fragment length	Library Size	Complexity [States/ residue]^a	Average^b^{Local cRMSD (A)}	Average^b Global cRMSD (A)	Library Data
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
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
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
5	100	10	0.34	0.99	lib_100_z_5.txt
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.