# Version: July 5, 1998 # # LIBRARY OF RESIDUE MAINCHAIN CONFORMATION CLASSES # # MODELLER 5, Copyright Andrej Sali # #----------------------------------------------------------------------------- # # Andras Fiser updated 03/21/1998: # # These are new Phi/Psi average values, standard deviations, and # correlations, using 5 degree bins. They were obtained separately # for all 20 residue types.See mnch?.lib for the corresponding # class weights. # # Use 3 character PDB residue type names. # # The weights for mainchain classes have to be zero if the class does # not exist. This is to eliminate these classes from smoothed pdf's that # may contain probabilities larger than 0.0 for non-defined classes. # # The order of residues in this file should not be important. # # The lines contain: # # PHI means, # PSI means, # PHI standard deviations, # PSI standard deviations, # cross-correlation coeffficients. # # CLASSES: A,P,B,L,E. # # 20 5 ALA -62.5 -68.2 -134.0 55.4 -999.0 -40.9 145.3 147.0 38.2 -999.0 5.2 11.8 30.2 9.2 -999.0 6.1 12.4 17.6 16.6 -999.0 -0.2541 -0.4199 -0.6670 -0.7550 0.0 CYS -63.0 -69.1 -117.9 57.4 -999.0 -41.1 141.8 141.1 36.0 -999.0 6.0 11.5 29.3 8.3 -999.0 8.2 16.3 25.4 17.1 -999.0 -0.4126 -0.4361 -0.4412 -0.8115 0.0 ASP -63.3 -70.9 -96.5 54.5 -999.0 -40.0 150.3 114.2 40.9 -999.0 6.3 13.2 24.5 8.5 -999.0 8.1 20.3 23.8 13.6 -999.0 -0.3802 -0.6583 0.0200 -0.68095 0.0 GLU -63.6 -69.3 -117.8 54.6 -999.0 -40.3 142.5 136.8 42.4 -999.0 6.3 13.2 27.3 8.5 -999.0 7.5 13.1 19.9 13.0 -999.0 -0.3426 -0.4620 -0.4903 -0.6778 0.0 PHE -63.2 -71.4 -124.2 58.1 -999.0 -44.3 140.7 143.3 32.9 -999.0 6.2 14.8 25.6 7.2 -999.0 7.2 12.4 21.2 12.0 -999.0 -0.4164 -0.3980 -0.6250 -0.7377 0.0 GLY -62.4 -80.2 -167.2 82.2 78.7 -41.2 174.1 174.6 8.5 -166.1 5.6 15.0 52.5 14.9 19.8 6.7 25.4 25.5 20.6 35.1 -0.2706 -0.7560 -0.6043 -0.7525 -0.8166 HIS -63.2 -67.6 -125.6 56.3 -999.0 -42.3 140.0 138.8 40.8 -999.0 6.3 13.3 28.6 6.4 -999.0 8.0 13.0 26.3 11.3 -999.0 -0.3908 -0.3936 -0.5424 -0.5208 0.0 ILE -63.4 -97.3 -120.6 -999.0 -999.0 -43.6 127.2 130.3 -999.0 -999.0 5.6 24.0 14.4 -999.0 -999.0 6.1 9.6 17.5 -999.0 -999.0 -0.1964 0.1234 -0.5599 0.0 0.0 LYS -62.9 -70.2 -118.0 56.6 -999.0 -40.8 140.4 139.1 38.6 -999.0 6.1 13.7 26.5 8.5 -999.0 7.7 13.8 20.6 14.0 -999.0 -0.3328 -0.3238 -0.3515 -0.6429 0.0 LEU -63.5 -70.7 -108.5 60.2 -999.0 -41.2 141.6 132.5 29.6 -999.0 5.8 11.0 21.0 9.0 -999.0 7.2 13.2 18.5 16.8 -999.0 -0.3314 -0.4226 -0.2183 -0.7756 0.0 MET -63.4 -73.0 -125.6 56.3 -999.0 -40.5 143.0 140.5 34.8 -999.0 5.4 13.2 25.3 5.6 -999.0 6.7 14.8 20.9 15.9 -999.0 -0.4192 -0.2217 -0.5222 -0.8946 0.0 ASN -63.2 -71.2 -119.9 55.9 -999.0 -41.1 142.8 137.0 39.5 -999.0 6.6 13.8 24.1 8.9 -999.0 8.0 15.6 22.0 14.3 -999.0 -0.3602 -0.3839 -0.5516 -0.6614 0.0 PRO -58.7 -64.5 -999.0 -999.0 -999.0 -30.5 147.2 -999.0 -999.0 -999.0 7.8 9.8 -999.0 -999.0 -999.0 12.1 13.4 -999.0 -999.0 -999.0 -0.63065 -0.51721 0.0 0.0 0.0 GLN -63.8 -73.0 -121.1 55.1 -999.0 -40.3 140.7 139.7 40.3 -999.0 6.0 14.0 26.6 8.2 -999.0 6.8 15.3 21.0 14.0 -999.0 -0.3136 -0.28534 -0.43711 -0.69634 0.0 ARG -63.0 -72.1 -125.2 57.3 -999.0 -41.1 141.9 140.6 38.0 -999.0 6.0 13.1 24.9 8.6 -999.0 7.4 13.0 20.7 15.2 -999.0 -0.4013 -0.2857 -0.5370 -0.6178 0.0 SER -64.1 -72.4 -136.6 56.9 -999.0 -35.0 152.4 151.2 36.4 -999.0 7.8 14.0 25.2 8.5 -999.0 13.8 17.0 19.7 15.7 -999.0 -0.46194 -0.48433 -0.51277 -0.72017 0.0 THR -63.2 -78.1 -124.8 55.9 -999.0 -42.1 149.8 143.5 39.5 -999.0 6.4 16.5 18.9 8.9 -999.0 7.8 23.4 23.3 14.3 -999.0 -0.41813 -0.54258 -0.56151 -0.6614 0.0 VAL -62.4 -73.5 -125.4 55.9 -999.0 -42.4 139.2 143.3 39.5 -999.0 6.3 14.1 25.6 8.9 -999.0 7.9 11.7 20.1 14.3 -999.0 -0.3642 -0.1854 -0.6267 -0.6614 0.0 TRP -63.0 -71.3 -124.9 58.8 -999.0 -44.2 139.0 143.4 33.0 -999.0 6.0 14.0 22.7 10.9 -999.0 8.0 13.2 20.6 18.6 -999.0 -0.3601 -0.3681 -0.5255 -0.8329 0.0 TYR -63.5 -98.4 -124.3 55.9 -999.0 -43.4 128.4 135.4 39.5 -999.0 5.8 25.9 13.3 8.9 -999.0 6.3 9.4 18.9 14.3 -999.0 -0.2968 0.11985 -0.56978 -0.6614 0.0