β-Rotamer Library Downloads

• Libraries are provided as tar archives with a single file for each entry indicated
• Library format is as follows:

Key Phi Psi Theta Omega Indexes RotProb CumProb   Chi1 Chi2 Chi3 Chi4 Chi5 sd1 sd2 sd3 sd4 sd5
VAL -90 90 -110 -180 2 1 1 1 1 0.956783 0.956783 180.0  0.0  0.0  0.0  0.0 0.0 0.0 0.0 0.0 0.0
VAL -90 90 -110 -180 3 1 1 1 1 0.042049 0.998833 -60.0  0.0  0.0  0.0  0.0 0.0 0.0 0.0 0.0 0.0
VAL -90 90 -110 -180 1 1 1 1 1 0.001167 1.000000  60.0  0.0  0.0  0.0  0.0 0.0 0.0 0.0 0.0 0.0

Column definations:

• Key is the three letter code for the sidechain modeled
• Index relates an integer to the rotameric state being described
• RotProb is the specific boltzmann weighted probability for a particular rotameric state
• CumProb is the cumulative probability for all rotamers previously described in a particular file
• Chi1-5 are the various sidechain χ angles
• sd1-5 are the standard deviations for the the associated χ angle.

Rotamer Libraries