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) 120 71 energy -0.57 abandoned number of hydrogen bonds is 120 Processing NMR model 2 third (+) Hbond (N-C) 73 71 energy -0.54 abandoned number of hydrogen bonds is 117 Processing NMR model 3 third (+) Hbond (N-C) 12 8 energy -0.51 abandoned third (+) Hbond (N-C) 73 71 energy -0.55 abandoned number of hydrogen bonds is 109 Processing NMR model 4 third (+) Hbond (N-C) 73 71 energy -0.57 abandoned number of hydrogen bonds is 114 Processing NMR model 5 number of hydrogen bonds is 115 Processing NMR model 6 third (+) Hbond (N-C) 73 71 energy -0.56 abandoned number of hydrogen bonds is 114 Processing NMR model 7 third (+) Hbond (N-C) 73 71 energy -0.66 abandoned number of hydrogen bonds is 116 Processing NMR model 8 third (+) Hbond (N-C) 120 71 energy -0.58 abandoned number of hydrogen bonds is 114 Processing NMR model 9 third (+) Hbond (N-C) 73 71 energy -0.61 abandoned number of hydrogen bonds is 109 Processing NMR model 10 third (+) Hbond (N-C) 73 71 energy -0.66 abandoned number of hydrogen bonds is 105 Processing NMR model 11 third (+) Hbond (N-C) 120 71 energy -0.55 abandoned number of hydrogen bonds is 115 Processing NMR model 12 third (+) Hbond (N-C) 73 71 energy -0.70 abandoned number of hydrogen bonds is 112 Processing NMR model 13 third (+) Hbond (N-C) 11 8 energy -0.54 abandoned number of hydrogen bonds is 114 Processing NMR model 14 third (+) Hbond (N-C) 12 8 energy -0.69 abandoned third (+) Hbond (N-C) 32 29 energy -0.68 abandoned third (+) Hbond (N-C) 120 71 energy -0.53 abandoned number of hydrogen bonds is 110 Processing NMR model 15 third (+) Hbond (N-C) 73 71 energy -0.63 abandoned number of hydrogen bonds is 108 Processing NMR model 16 third (+) Hbond (N-C) 73 71 energy -0.61 abandoned number of hydrogen bonds is 110 Processing NMR model 17 third (+) Hbond (N-C) 12 8 energy -0.95 abandoned third (+) Hbond (N-C) 120 71 energy -0.55 abandoned number of hydrogen bonds is 113 Processing NMR model 18 third (+) Hbond (N-C) 120 71 energy -0.64 abandoned number of hydrogen bonds is 111 Processing NMR model 19 third (+) Hbond (N-C) 32 29 energy -0.58 abandoned number of hydrogen bonds is 109 Processing NMR model 20 third (+) Hbond (N-C) 12 8 energy -0.66 abandoned third (+) Hbond (N-C) 73 71 energy -0.60 abandoned number of hydrogen bonds is 112 * NMR ensemble comprises 20 model structures * Program completed