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 number of hydrogen bonds is 70 side chain atoms swapped for PHE 29 TYR 75 Processing NMR model 2 number of hydrogen bonds is 68 side chain atoms swapped for TYR 3 PHE 29 TYR 80 Processing NMR model 3 number of hydrogen bonds is 70 side chain atoms swapped for TYR 3 Processing NMR model 4 number of hydrogen bonds is 70 side chain atoms swapped for TYR 3 PHE 29 Processing NMR model 5 number of hydrogen bonds is 73 side chain atoms swapped for TYR 3 TYR 24 PHE 29 Processing NMR model 6 number of hydrogen bonds is 72 side chain atoms swapped for TYR 3 PHE 29 Processing NMR model 7 number of hydrogen bonds is 68 side chain atoms swapped for TYR 3 PHE 29 TYR 75 Processing NMR model 8 number of hydrogen bonds is 70 side chain atoms swapped for TYR 3 TYR 24 PHE 29 TYR 80 Processing NMR model 9 number of hydrogen bonds is 68 side chain atoms swapped for TYR 3 PHE 29 TYR 80 Processing NMR model 10 number of hydrogen bonds is 67 side chain atoms swapped for TYR 3 PHE 29 TYR 75 TYR 80 Processing NMR model 11 number of hydrogen bonds is 72 side chain atoms swapped for TYR 3 PHE 29 TYR 75 TYR 80 Processing NMR model 12 number of hydrogen bonds is 71 side chain atoms swapped for TYR 3 PHE 29 TYR 80 Processing NMR model 13 number of hydrogen bonds is 73 side chain atoms swapped for TYR 3 PHE 29 TYR 75 TYR 80 Processing NMR model 14 number of hydrogen bonds is 68 side chain atoms swapped for TYR 3 TYR 24 PHE 29 Processing NMR model 15 number of hydrogen bonds is 70 side chain atoms swapped for TYR 3 TYR 24 PHE 29 TYR 80 Processing NMR model 16 number of hydrogen bonds is 75 side chain atoms swapped for TYR 3 PHE 29 Processing NMR model 17 number of hydrogen bonds is 74 side chain atoms swapped for TYR 3 PHE 29 TYR 80 Processing NMR model 18 number of hydrogen bonds is 69 side chain atoms swapped for TYR 3 PHE 29 Processing NMR model 19 number of hydrogen bonds is 71 side chain atoms swapped for TYR 3 PHE 29 TYR 80 Processing NMR model 20 number of hydrogen bonds is 69 side chain atoms swapped for TYR 3 PHE 29 TYR 80 * NMR ensemble comprises 20 model structures * Program completed