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 34.11 Standard deviation is 1.59 WARNING: Number of atoms/hetatms in new file differs from old file - new number = 1194 old number = 0 Total number of residues that need to be changed and total number of residues: ALA 0 15 CYS 0 2 ASP 0 10 GLU 0 3 PHE 0 4 GLY 0 3 HIS 0 2 ILE 0 1 LEU 0 10 MET 0 2 PRO 0 5 GLN 0 3 ARG 0 7 SER 0 2 THR 0 1 VAL 0 4 TRP 0 2 TYR 0 2 Processing NMR model 2 Average value of CA-N-C-CB angle is 34.11 Standard deviation is 1.60 WARNING: Number of atoms/hetatms in new file differs from old file - new number = 1194 old number = 0 Total number of residues that need to be changed and total number of residues: ALA 0 15 CYS 0 2 ASP 0 10 GLU 0 3 PHE 0 4 GLY 0 3 HIS 0 2 ILE 0 1 LEU 0 10 MET 0 2 PRO 0 5 GLN 0 3 ARG 0 7 SER 0 2 THR 0 1 VAL 0 4 TRP 0 2 TYR 0 2 Processing NMR model 3 Average value of CA-N-C-CB angle is 34.11 Standard deviation is 1.59 WARNING: Number of atoms/hetatms in new file differs from old file - new number = 1194 old number = 0 Total number of residues that need to be changed and total number of residues: ALA 0 15 CYS 0 2 ASP 0 10 GLU 0 3 PHE 0 4 GLY 0 3 HIS 0 2 ILE 0 1 LEU 0 10 MET 0 2 PRO 0 5 GLN 0 3 ARG 0 7 SER 0 2 THR 0 1 VAL 0 4 TRP 0 2 TYR 0 2 Processing NMR model 4 Average value of CA-N-C-CB angle is 34.11 Standard deviation is 1.60 WARNING: Number of atoms/hetatms in new file differs from old file - new number = 1194 old number = 0 Total number of residues that need to be changed and total number of residues: ALA 0 15 CYS 0 2 ASP 0 10 GLU 0 3 PHE 0 4 GLY 0 3 HIS 0 2 ILE 0 1 LEU 0 10 MET 0 2 PRO 0 5 GLN 0 3 ARG 0 7 SER 0 2 THR 0 1 VAL 0 4 TRP 0 2 TYR 0 2 Processing NMR model 5 Average value of CA-N-C-CB angle is 34.10 Standard deviation is 1.59 WARNING: Number of atoms/hetatms in new file differs from old file - new number = 1194 old number = 0 Total number of residues that need to be changed and total number of residues: ALA 0 15 CYS 0 2 ASP 0 10 GLU 0 3 PHE 0 4 GLY 0 3 HIS 0 2 ILE 0 1 LEU 0 10 MET 0 2 PRO 0 5 GLN 0 3 ARG 0 7 SER 0 2 THR 0 1 VAL 0 4 TRP 0 2 TYR 0 2 Processing NMR model 6 Average value of CA-N-C-CB angle is 34.11 Standard deviation is 1.60 WARNING: Number of atoms/hetatms in new file differs from old file - new number = 1194 old number = 0 Total number of residues that need to be changed and total number of residues: ALA 0 15 CYS 0 2 ASP 0 10 GLU 0 3 PHE 0 4 GLY 0 3 HIS 0 2 ILE 0 1 LEU 0 10 MET 0 2 PRO 0 5 GLN 0 3 ARG 0 7 SER 0 2 THR 0 1 VAL 0 4 TRP 0 2 TYR 0 2 Processing NMR model 7 Average value of CA-N-C-CB angle is 34.11 Standard deviation is 1.59 WARNING: Number of atoms/hetatms in new file differs from old file - new number = 1194 old number = 0 Total number of residues that need to be changed and total number of residues: ALA 0 15 CYS 0 2 ASP 0 10 GLU 0 3 PHE 0 4 GLY 0 3 HIS 0 2 ILE 0 1 LEU 0 10 MET 0 2 PRO 0 5 GLN 0 3 ARG 0 7 SER 0 2 THR 0 1 VAL 0 4 TRP 0 2 TYR 0 2 Processing NMR model 8 Average value of CA-N-C-CB angle is 34.10 Standard deviation is 1.59 WARNING: Number of atoms/hetatms in new file differs from old file - new number = 1194 old number = 0 Total number of residues that need to be changed and total number of residues: ALA 0 15 CYS 0 2 ASP 0 10 GLU 0 3 PHE 0 4 GLY 0 3 HIS 0 2 ILE 0 1 LEU 0 10 MET 0 2 PRO 0 5 GLN 0 3 ARG 0 7 SER 0 2 THR 0 1 VAL 0 4 TRP 0 2 TYR 0 2 Processing NMR model 9 Average value of CA-N-C-CB angle is 34.10 Standard deviation is 1.60 WARNING: Number of atoms/hetatms in new file differs from old file - new number = 1194 old number = 0 Total number of residues that need to be changed and total number of residues: ALA 0 15 CYS 0 2 ASP 0 10 GLU 0 3 PHE 0 4 GLY 0 3 HIS 0 2 ILE 0 1 LEU 0 10 MET 0 2 PRO 0 5 GLN 0 3 ARG 0 7 SER 0 2 THR 0 1 VAL 0 4 TRP 0 2 TYR 0 2 Processing NMR model 10 Average value of CA-N-C-CB angle is 34.11 Standard deviation is 1.59 WARNING: Number of atoms/hetatms in new file differs from old file - new number = 1194 old number = 0 Total number of residues that need to be changed and total number of residues: ALA 0 15 CYS 0 2 ASP 0 10 GLU 0 3 PHE 0 4 GLY 0 3 HIS 0 2 ILE 0 1 LEU 0 10 MET 0 2 PRO 0 5 GLN 0 3 ARG 0 7 SER 0 2 THR 0 1 VAL 0 4 TRP 0 2 TYR 0 2 Processing NMR model 11 Average value of CA-N-C-CB angle is 34.10 Standard deviation is 1.60 WARNING: Number of atoms/hetatms in new file differs from old file - new number = 1194 old number = 0 Total number of residues that need to be changed and total number of residues: ALA 0 15 CYS 0 2 ASP 0 10 GLU 0 3 PHE 0 4 GLY 0 3 HIS 0 2 ILE 0 1 LEU 0 10 MET 0 2 PRO 0 5 GLN 0 3 ARG 0 7 SER 0 2 THR 0 1 VAL 0 4 TRP 0 2 TYR 0 2 Processing NMR model 12 Average value of CA-N-C-CB angle is 34.10 Standard deviation is 1.59 WARNING: Number of atoms/hetatms in new file differs from old file - new number = 1194 old number = 0 Total number of residues that need to be changed and total number of residues: ALA 0 15 CYS 0 2 ASP 0 10 GLU 0 3 PHE 0 4 GLY 0 3 HIS 0 2 ILE 0 1 LEU 0 10 MET 0 2 PRO 0 5 GLN 0 3 ARG 0 7 SER 0 2 THR 0 1 VAL 0 4 TRP 0 2 TYR 0 2 Processing NMR model 13 Average value of CA-N-C-CB angle is 34.10 Standard deviation is 1.59 WARNING: Number of atoms/hetatms in new file differs from old file - new number = 1194 old number = 0 Total number of residues that need to be changed and total number of residues: ALA 0 15 CYS 0 2 ASP 0 10 GLU 0 3 PHE 0 4 GLY 0 3 HIS 0 2 ILE 0 1 LEU 0 10 MET 0 2 PRO 0 5 GLN 0 3 ARG 0 7 SER 0 2 THR 0 1 VAL 0 4 TRP 0 2 TYR 0 2 Processing NMR model 14 Average value of CA-N-C-CB angle is 34.11 Standard deviation is 1.59 WARNING: Number of atoms/hetatms in new file differs from old file - new number = 1194 old number = 0 Total number of residues that need to be changed and total number of residues: ALA 0 15 CYS 0 2 ASP 0 10 GLU 0 3 PHE 0 4 GLY 0 3 HIS 0 2 ILE 0 1 LEU 0 10 MET 0 2 PRO 0 5 GLN 0 3 ARG 0 7 SER 0 2 THR 0 1 VAL 0 4 TRP 0 2 TYR 0 2 Processing NMR model 15 Average value of CA-N-C-CB angle is 34.11 Standard deviation is 1.60 WARNING: Number of atoms/hetatms in new file differs from old file - new number = 1194 old number = 0 Total number of residues that need to be changed and total number of residues: ALA 0 15 CYS 0 2 ASP 0 10 GLU 0 3 PHE 0 4 GLY 0 3 HIS 0 2 ILE 0 1 LEU 0 10 MET 0 2 PRO 0 5 GLN 0 3 ARG 0 7 SER 0 2 THR 0 1 VAL 0 4 TRP 0 2 TYR 0 2 Processing NMR model 16 Average value of CA-N-C-CB angle is 34.11 Standard deviation is 1.60 WARNING: Number of atoms/hetatms in new file differs from old file - new number = 1194 old number = 0 Total number of residues that need to be changed and total number of residues: ALA 0 15 CYS 0 2 ASP 0 10 GLU 0 3 PHE 0 4 GLY 0 3 HIS 0 2 ILE 0 1 LEU 0 10 MET 0 2 PRO 0 5 GLN 0 3 ARG 0 7 SER 0 2 THR 0 1 VAL 0 4 TRP 0 2 TYR 0 2 Processing NMR model 17 Average value of CA-N-C-CB angle is 34.10 Standard deviation is 1.60 WARNING: Number of atoms/hetatms in new file differs from old file - new number = 1194 old number = 0 Total number of residues that need to be changed and total number of residues: ALA 0 15 CYS 0 2 ASP 0 10 GLU 0 3 PHE 0 4 GLY 0 3 HIS 0 2 ILE 0 1 LEU 0 10 MET 0 2 PRO 0 5 GLN 0 3 ARG 0 7 SER 0 2 THR 0 1 VAL 0 4 TRP 0 2 TYR 0 2 Processing NMR model 18 Average value of CA-N-C-CB angle is 34.11 Standard deviation is 1.60 WARNING: Number of atoms/hetatms in new file differs from old file - new number = 1194 old number = 0 Total number of residues that need to be changed and total number of residues: ALA 0 15 CYS 0 2 ASP 0 10 GLU 0 3 PHE 0 4 GLY 0 3 HIS 0 2 ILE 0 1 LEU 0 10 MET 0 2 PRO 0 5 GLN 0 3 ARG 0 7 SER 0 2 THR 0 1 VAL 0 4 TRP 0 2 TYR 0 2 Processing NMR model 19 Average value of CA-N-C-CB angle is 34.11 Standard deviation is 1.60 WARNING: Number of atoms/hetatms in new file differs from old file - new number = 1194 old number = 0 Total number of residues that need to be changed and total number of residues: ALA 0 15 CYS 0 2 ASP 0 10 GLU 0 3 PHE 0 4 GLY 0 3 HIS 0 2 ILE 0 1 LEU 0 10 MET 0 2 PRO 0 5 GLN 0 3 ARG 0 7 SER 0 2 THR 0 1 VAL 0 4 TRP 0 2 TYR 0 2 Processing NMR model 20 Average value of CA-N-C-CB angle is 34.11 Standard deviation is 1.59 WARNING: Number of atoms/hetatms in new file differs from old file - new number = 1194 old number = 0 Total number of residues that need to be changed and total number of residues: ALA 0 15 CYS 0 2 ASP 0 10 GLU 0 3 PHE 0 4 GLY 0 3 HIS 0 2 ILE 0 1 LEU 0 10 MET 0 2 PRO 0 5 GLN 0 3 ARG 0 7 SER 0 2 THR 0 1 VAL 0 4 TRP 0 2 TYR 0 2 * NMR ensemble comprises 20 model structures * Program completed