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) 22 16 energy -1.11 abandoned number of hydrogen bonds is 34 Processing NMR model 2 third (+) Hbond (N-C) 22 16 energy -1.13 abandoned number of hydrogen bonds is 33 Processing NMR model 3 third (+) Hbond (N-C) 22 16 energy -1.19 abandoned number of hydrogen bonds is 34 Processing NMR model 4 third (+) Hbond (N-C) 22 16 energy -1.14 abandoned number of hydrogen bonds is 32 side chain atoms swapped for PHE 41 Processing NMR model 5 third (+) Hbond (N-C) 22 16 energy -0.81 abandoned number of hydrogen bonds is 30 Processing NMR model 6 third (+) Hbond (N-C) 22 16 energy -0.59 abandoned number of hydrogen bonds is 32 Processing NMR model 7 third (+) Hbond (N-C) 22 16 energy -1.16 abandoned number of hydrogen bonds is 34 Processing NMR model 8 third (+) Hbond (N-C) 20 16 energy -0.92 abandoned third (+) Hbond (N-C) 40 38 energy -0.55 abandoned number of hydrogen bonds is 33 Processing NMR model 9 third (+) Hbond (N-C) 22 16 energy -1.13 abandoned number of hydrogen bonds is 33 Processing NMR model 10 third (+) Hbond (N-C) 22 16 energy -1.15 abandoned number of hydrogen bonds is 32 Processing NMR model 11 third (+) Hbond (N-C) 22 16 energy -0.61 abandoned number of hydrogen bonds is 32 Processing NMR model 12 third (+) Hbond (N-C) 22 16 energy -1.13 abandoned number of hydrogen bonds is 34 Processing NMR model 13 third (+) Hbond (N-C) 22 16 energy -1.13 abandoned number of hydrogen bonds is 31 Processing NMR model 14 third (+) Hbond (N-C) 22 16 energy -0.66 abandoned number of hydrogen bonds is 32 Processing NMR model 15 third (+) Hbond (N-C) 22 16 energy -1.17 abandoned number of hydrogen bonds is 34 Processing NMR model 16 third (+) Hbond (N-C) 22 16 energy -1.15 abandoned number of hydrogen bonds is 32 Processing NMR model 17 third (+) Hbond (N-C) 22 16 energy -1.11 abandoned third (+) Hbond (N-C) 40 38 energy -0.63 abandoned number of hydrogen bonds is 31 Processing NMR model 18 third (+) Hbond (N-C) 22 16 energy -0.65 abandoned number of hydrogen bonds is 35 Processing NMR model 19 third (+) Hbond (N-C) 20 16 energy -1.29 abandoned number of hydrogen bonds is 33 Processing NMR model 20 third (+) Hbond (N-C) 22 16 energy -1.20 abandoned number of hydrogen bonds is 31 * NMR ensemble comprises 20 model structures * Program completed