CLEAN - Clean-up program ------------------------ Clean-up program CLEAN - Written by David Keith Smith, 1989. Amended by Roman 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 Average value of CA-N-C-CB angle is 34.26 Standard deviation is 0.75 WARNING: Number of atoms/hetatms in new file differs from old file - new number = 2031 old number = 0 Total number of residues that need to be changed and total number of residues: ALA 0 10 ASP 0 7 GLU 0 17 PHE 0 4 GLY 0 3 HIS 0 6 ILE 0 7 LYS 0 11 LEU 0 11 MET 0 3 ASN 0 4 PRO 0 2 GLN 0 5 ARG 0 7 SER 0 6 THR 0 5 VAL 0 9 TRP 0 1 TYR 0 5 Processing NMR model 2 Average value of CA-N-C-CB angle is 34.28 Standard deviation is 0.81 WARNING: Number of atoms/hetatms in new file differs from old file - new number = 2031 old number = 0 Total number of residues that need to be changed and total number of residues: ALA 0 10 ASP 0 7 GLU 0 17 PHE 0 4 GLY 0 3 HIS 0 6 ILE 0 7 LYS 0 11 LEU 0 11 MET 0 3 ASN 0 4 PRO 0 2 GLN 0 5 ARG 0 7 SER 0 6 THR 0 5 VAL 0 9 TRP 0 1 TYR 0 5 Processing NMR model 3 Average value of CA-N-C-CB angle is 34.25 Standard deviation is 0.76 WARNING: Number of atoms/hetatms in new file differs from old file - new number = 2031 old number = 0 Total number of residues that need to be changed and total number of residues: ALA 0 10 ASP 0 7 GLU 0 17 PHE 0 4 GLY 0 3 HIS 0 6 ILE 0 7 LYS 0 11 LEU 0 11 MET 0 3 ASN 0 4 PRO 0 2 GLN 0 5 ARG 0 7 SER 0 6 THR 0 5 VAL 0 9 TRP 0 1 TYR 0 5 Processing NMR model 4 Average value of CA-N-C-CB angle is 34.24 Standard deviation is 0.77 WARNING: Number of atoms/hetatms in new file differs from old file - new number = 2031 old number = 0 Total number of residues that need to be changed and total number of residues: ALA 0 10 ASP 0 7 GLU 0 17 PHE 0 4 GLY 0 3 HIS 0 6 ILE 0 7 LYS 0 11 LEU 0 11 MET 0 3 ASN 0 4 PRO 0 2 GLN 0 5 ARG 0 7 SER 0 6 THR 0 5 VAL 0 9 TRP 0 1 TYR 0 5 Processing NMR model 5 Average value of CA-N-C-CB angle is 34.27 Standard deviation is 0.80 WARNING: Number of atoms/hetatms in new file differs from old file - new number = 2031 old number = 0 Total number of residues that need to be changed and total number of residues: ALA 0 10 ASP 0 7 GLU 0 17 PHE 0 4 GLY 0 3 HIS 0 6 ILE 0 7 LYS 0 11 LEU 0 11 MET 0 3 ASN 0 4 PRO 0 2 GLN 0 5 ARG 0 7 SER 0 6 THR 0 5 VAL 0 9 TRP 0 1 TYR 0 5 Processing NMR model 6 Average value of CA-N-C-CB angle is 34.14 Standard deviation is 0.81 WARNING: Number of atoms/hetatms in new file differs from old file - new number = 2031 old number = 0 Total number of residues that need to be changed and total number of residues: ALA 0 10 ASP 0 7 GLU 0 17 PHE 0 4 GLY 0 3 HIS 0 6 ILE 0 7 LYS 0 11 LEU 0 11 MET 0 3 ASN 0 4 PRO 0 2 GLN 0 5 ARG 0 7 SER 0 6 THR 0 5 VAL 0 9 TRP 0 1 TYR 0 5 Processing NMR model 7 Average value of CA-N-C-CB angle is 34.16 Standard deviation is 0.84 WARNING: Number of atoms/hetatms in new file differs from old file - new number = 2031 old number = 0 Total number of residues that need to be changed and total number of residues: ALA 0 10 ASP 0 7 GLU 0 17 PHE 0 4 GLY 0 3 HIS 0 6 ILE 0 7 LYS 0 11 LEU 0 11 MET 0 3 ASN 0 4 PRO 0 2 GLN 0 5 ARG 0 7 SER 0 6 THR 0 5 VAL 0 9 TRP 0 1 TYR 0 5 Processing NMR model 8 Average value of CA-N-C-CB angle is 34.26 Standard deviation is 0.77 WARNING: Number of atoms/hetatms in new file differs from old file - new number = 2031 old number = 0 Total number of residues that need to be changed and total number of residues: ALA 0 10 ASP 0 7 GLU 0 17 PHE 0 4 GLY 0 3 HIS 0 6 ILE 0 7 LYS 0 11 LEU 0 11 MET 0 3 ASN 0 4 PRO 0 2 GLN 0 5 ARG 0 7 SER 0 6 THR 0 5 VAL 0 9 TRP 0 1 TYR 0 5 Processing NMR model 9 Average value of CA-N-C-CB angle is 34.31 Standard deviation is 0.79 WARNING: Number of atoms/hetatms in new file differs from old file - new number = 2031 old number = 0 Total number of residues that need to be changed and total number of residues: ALA 0 10 ASP 0 7 GLU 0 17 PHE 0 4 GLY 0 3 HIS 0 6 ILE 0 7 LYS 0 11 LEU 0 11 MET 0 3 ASN 0 4 PRO 0 2 GLN 0 5 ARG 0 7 SER 0 6 THR 0 5 VAL 0 9 TRP 0 1 TYR 0 5 Processing NMR model 10 Average value of CA-N-C-CB angle is 34.29 Standard deviation is 0.78 WARNING: Number of atoms/hetatms in new file differs from old file - new number = 2031 old number = 0 Total number of residues that need to be changed and total number of residues: ALA 0 10 ASP 0 7 GLU 0 17 PHE 0 4 GLY 0 3 HIS 0 6 ILE 0 7 LYS 0 11 LEU 0 11 MET 0 3 ASN 0 4 PRO 0 2 GLN 0 5 ARG 0 7 SER 0 6 THR 0 5 VAL 0 9 TRP 0 1 TYR 0 5 Processing NMR model 11 Average value of CA-N-C-CB angle is 34.23 Standard deviation is 0.74 WARNING: Number of atoms/hetatms in new file differs from old file - new number = 2031 old number = 0 Total number of residues that need to be changed and total number of residues: ALA 0 10 ASP 0 7 GLU 0 17 PHE 0 4 GLY 0 3 HIS 0 6 ILE 0 7 LYS 0 11 LEU 0 11 MET 0 3 ASN 0 4 PRO 0 2 GLN 0 5 ARG 0 7 SER 0 6 THR 0 5 VAL 0 9 TRP 0 1 TYR 0 5 Processing NMR model 12 Average value of CA-N-C-CB angle is 34.33 Standard deviation is 0.78 WARNING: Number of atoms/hetatms in new file differs from old file - new number = 2031 old number = 0 Total number of residues that need to be changed and total number of residues: ALA 0 10 ASP 0 7 GLU 0 17 PHE 0 4 GLY 0 3 HIS 0 6 ILE 0 7 LYS 0 11 LEU 0 11 MET 0 3 ASN 0 4 PRO 0 2 GLN 0 5 ARG 0 7 SER 0 6 THR 0 5 VAL 0 9 TRP 0 1 TYR 0 5 Processing NMR model 13 Average value of CA-N-C-CB angle is 34.27 Standard deviation is 0.75 WARNING: Number of atoms/hetatms in new file differs from old file - new number = 2031 old number = 0 Total number of residues that need to be changed and total number of residues: ALA 0 10 ASP 0 7 GLU 0 17 PHE 0 4 GLY 0 3 HIS 0 6 ILE 0 7 LYS 0 11 LEU 0 11 MET 0 3 ASN 0 4 PRO 0 2 GLN 0 5 ARG 0 7 SER 0 6 THR 0 5 VAL 0 9 TRP 0 1 TYR 0 5 Processing NMR model 14 Average value of CA-N-C-CB angle is 34.25 Standard deviation is 0.81 WARNING: Number of atoms/hetatms in new file differs from old file - new number = 2031 old number = 0 Total number of residues that need to be changed and total number of residues: ALA 0 10 ASP 0 7 GLU 0 17 PHE 0 4 GLY 0 3 HIS 0 6 ILE 0 7 LYS 0 11 LEU 0 11 MET 0 3 ASN 0 4 PRO 0 2 GLN 0 5 ARG 0 7 SER 0 6 THR 0 5 VAL 0 9 TRP 0 1 TYR 0 5 Processing NMR model 15 Average value of CA-N-C-CB angle is 34.18 Standard deviation is 0.88 WARNING: Number of atoms/hetatms in new file differs from old file - new number = 2031 old number = 0 Total number of residues that need to be changed and total number of residues: ALA 0 10 ASP 0 7 GLU 0 17 PHE 0 4 GLY 0 3 HIS 0 6 ILE 0 7 LYS 0 11 LEU 0 11 MET 0 3 ASN 0 4 PRO 0 2 GLN 0 5 ARG 0 7 SER 0 6 THR 0 5 VAL 0 9 TRP 0 1 TYR 0 5 Processing NMR model 16 Average value of CA-N-C-CB angle is 34.28 Standard deviation is 0.79 WARNING: Number of atoms/hetatms in new file differs from old file - new number = 2031 old number = 0 Total number of residues that need to be changed and total number of residues: ALA 0 10 ASP 0 7 GLU 0 17 PHE 0 4 GLY 0 3 HIS 0 6 ILE 0 7 LYS 0 11 LEU 0 11 MET 0 3 ASN 0 4 PRO 0 2 GLN 0 5 ARG 0 7 SER 0 6 THR 0 5 VAL 0 9 TRP 0 1 TYR 0 5 Processing NMR model 17 Average value of CA-N-C-CB angle is 34.29 Standard deviation is 0.77 WARNING: Number of atoms/hetatms in new file differs from old file - new number = 2031 old number = 0 Total number of residues that need to be changed and total number of residues: ALA 0 10 ASP 0 7 GLU 0 17 PHE 0 4 GLY 0 3 HIS 0 6 ILE 0 7 LYS 0 11 LEU 0 11 MET 0 3 ASN 0 4 PRO 0 2 GLN 0 5 ARG 0 7 SER 0 6 THR 0 5 VAL 0 9 TRP 0 1 TYR 0 5 Processing NMR model 18 Average value of CA-N-C-CB angle is 34.23 Standard deviation is 0.78 WARNING: Number of atoms/hetatms in new file differs from old file - new number = 2031 old number = 0 Total number of residues that need to be changed and total number of residues: ALA 0 10 ASP 0 7 GLU 0 17 PHE 0 4 GLY 0 3 HIS 0 6 ILE 0 7 LYS 0 11 LEU 0 11 MET 0 3 ASN 0 4 PRO 0 2 GLN 0 5 ARG 0 7 SER 0 6 THR 0 5 VAL 0 9 TRP 0 1 TYR 0 5 Processing NMR model 19 Average value of CA-N-C-CB angle is 34.23 Standard deviation is 0.84 WARNING: Number of atoms/hetatms in new file differs from old file - new number = 2031 old number = 0 Total number of residues that need to be changed and total number of residues: ALA 0 10 ASP 0 7 GLU 0 17 PHE 0 4 GLY 0 3 HIS 0 6 ILE 0 7 LYS 0 11 LEU 0 11 MET 0 3 ASN 0 4 PRO 0 2 GLN 0 5 ARG 0 7 SER 0 6 THR 0 5 VAL 0 9 TRP 0 1 TYR 0 5 Processing NMR model 20 Average value of CA-N-C-CB angle is 34.25 Standard deviation is 0.79 WARNING: Number of atoms/hetatms in new file differs from old file - new number = 2031 old number = 0 Total number of residues that need to be changed and total number of residues: ALA 0 10 ASP 0 7 GLU 0 17 PHE 0 4 GLY 0 3 HIS 0 6 ILE 0 7 LYS 0 11 LEU 0 11 MET 0 3 ASN 0 4 PRO 0 2 GLN 0 5 ARG 0 7 SER 0 6 THR 0 5 VAL 0 9 TRP 0 1 TYR 0 5 * NMR ensemble comprises 20 model structures * Program completed