###################################################################################################### ### ### ### Blueprint file for building backbone of the latter half of a ferredoxin-like fold structure. ### ### This file is used for specifying secondary structure strings. ### ### ### ### Principles for designing ideal protein structures ### ### Nobuyasu Koga, Rie Tatsumi-Koga, Gaohua Liu, Rong Xiao, Thomas B. Acton, ### ### Gaetano T. Montelione, and David Baker ### ### Nature 2012, Supplementary Data ### ### ### ###################################################################################################### # # SSPair is strand-pairs information for the constraints between strands. SSPAIR 1-3.A.0;1-4.A.0;2-3.A.0 # # Helix-pairs information for the constraints between helices HHPAIR 1-2.A # # HHPAIR is expressed in the following style, # # (helix-id)-(helix-id).(P/A);(helix-id)-(helix-id).(P/A)... # # # Examples: # 1-2.A;2-3.P mean 1st and 2nd helices make anti-parallel helix pair, and # 2nd and 3rd helices make parallel helix pair. # #################################################################################################### # Secondary structure strings for building backbone: # 1st column: Residue number. 0 stands for the residues that are extended. # 2nd column: Amino acid type. This is used for the vdw radius of the single sphere 'side-chain', since no amino-acid-dependent score terms are used. # 3rd column: Secondary structure type, L:loop, E:strand, and H:helix. # 4th column: Build instruction, R:build the assigned positions, and '.':leave the assigned positions as intact. # # 1 V L . 2 V E . 3 V E . 4 V E . 5 V E . 6 V E . 7 V E . 8 V E . 9 V L . 10 V L . 11 V L . 12 V H . 13 V H . 14 V H . 15 V H . 16 V H . 17 V H . 18 V H . 19 V H . 20 V H . 21 V H . 22 V H . 23 V H . 24 V H . 25 V H . 26 V H . 27 V H . 28 V H . 29 V H . 30 V L . 31 V L . 32 V E . 33 V E . 34 V E . 35 V E . 36 V E . 37 V E . 38 V E . 39 V L . 40 V L . 41 V E . 42 V E . 43 V E . 44 V E . 45 V E . 46 V E R 47 V E R 48 V L R 0 V L R 0 V L R 0 V H R 0 V H R 0 V H R 0 V H R 0 V H R 0 V H R 0 V H R 0 V H R 0 V H R 0 V H R 0 V H R 0 V H R 0 V H R 0 V H R 0 V H R 0 V H R 0 V H R 0 V H R 0 V L R 0 V L R 0 V E R 0 V E R 0 V E R 0 V E R 0 V E R 0 V E R 0 V E R 0 V L R