SECSTR - Secondary structure assignment --------------------------------------- Secondary structure calculation program - copyright by David Keith Smith, 1989 Amended by R A Laskowski, 1992 Enter filename containing coordinates of structure (for file containing ensemble of NMR structures enter @filename; for set of separate PDB files to be processed, enter %filelist, where filelist contains a list of PDB files to be cleaned up) Processing NMR model 1 third (+) Hbond (N-C) 150 145 energy -0.63 abandoned third (+) Hbond (N-C) 157 153 energy -0.58 abandoned number of hydrogen bonds is 113 Processing NMR model 2 third (+) Hbond (N-C) 104 102 energy -0.53 abandoned number of hydrogen bonds is 114 Processing NMR model 3 third (+) Hbond (N-C) 157 153 energy -0.53 abandoned number of hydrogen bonds is 116 Processing NMR model 4 third (+) Hbond (N-C) 107 102 energy -1.16 abandoned number of hydrogen bonds is 117 Processing NMR model 5 number of hydrogen bonds is 109 Processing NMR model 6 third (+) Hbond (N-C) 157 153 energy -1.08 abandoned number of hydrogen bonds is 109 Processing NMR model 7 third (+) Hbond (N-C) 157 153 energy -0.75 abandoned number of hydrogen bonds is 107 Processing NMR model 8 third (+) Hbond (N-C) 157 153 energy -0.89 abandoned number of hydrogen bonds is 109 Processing NMR model 9 third (+) Hbond (N-C) 159 153 energy -0.79 abandoned number of hydrogen bonds is 108 Processing NMR model 10 third (+) Hbond (N-C) 49 46 energy -0.51 abandoned third (+) Hbond (N-C) 52 46 energy -0.55 abandoned number of hydrogen bonds is 108 Processing NMR model 11 third (+) Hbond (N-C) 107 102 energy -0.89 abandoned number of hydrogen bonds is 114 Processing NMR model 12 third (+) Hbond (N-C) 106 102 energy -0.68 abandoned number of hydrogen bonds is 118 Processing NMR model 13 number of hydrogen bonds is 113 Processing NMR model 14 number of hydrogen bonds is 116 Processing NMR model 15 third (+) Hbond (N-C) 158 153 energy -0.71 abandoned number of hydrogen bonds is 111 Processing NMR model 16 third (+) Hbond (N-C) 104 102 energy -0.52 abandoned number of hydrogen bonds is 116 Processing NMR model 17 number of hydrogen bonds is 108 Processing NMR model 18 number of hydrogen bonds is 110 Processing NMR model 19 number of hydrogen bonds is 110 Processing NMR model 20 number of hydrogen bonds is 106 * NMR ensemble comprises 20 model structures * Program completed