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 51 side chain atoms swapped for PHE 13 GLU 18 GLU 25 ASP 39 TYR 47 GLU 59 GLU 71 GLU 72 GLU 79 Processing NMR model 2 number of hydrogen bonds is 52 side chain atoms swapped for GLU 25 ASP 39 TYR 47 GLU 59 TYR 75 Processing NMR model 3 number of hydrogen bonds is 56 side chain atoms swapped for GLU 52 TYR 75 GLU 88 Processing NMR model 4 number of hydrogen bonds is 54 side chain atoms swapped for GLU 6 PHE 13 GLU 18 TYR 47 GLU 52 TYR 75 GLU 79 Processing NMR model 5 number of hydrogen bonds is 52 side chain atoms swapped for GLU 6 GLU 25 ASP 39 GLU 72 Processing NMR model 6 number of hydrogen bonds is 57 side chain atoms swapped for GLU 6 GLU 25 GLU 71 GLU 72 GLU 73 TYR 75 GLU 88 Processing NMR model 7 number of hydrogen bonds is 54 side chain atoms swapped for GLU 6 GLU 18 GLU 71 TYR 75 GLU 79 Processing NMR model 8 number of hydrogen bonds is 55 side chain atoms swapped for ASP 39 TYR 47 GLU 71 GLU 73 TYR 75 Processing NMR model 9 number of hydrogen bonds is 62 side chain atoms swapped for GLU 2 GLU 24 GLU 25 GLU 79 GLU 87 Processing NMR model 10 number of hydrogen bonds is 52 side chain atoms swapped for GLU 2 PHE 13 GLU 24 ASP 39 GLU 72 TYR 75 * NMR ensemble comprises 10 model structures * Program completed