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) ** Unrecognized atom type [HG11] in residue ILE 26 ** Unrecognized atom type [HG12] in residue ILE 26 ** Unrecognized atom type [HG21] in residue ILE 26 ** Unrecognized atom type [HG22] in residue ILE 26 ** Unrecognized atom type [HG23] in residue ILE 26 ** Unrecognized atom type [HG21] in residue THR 29 ** Unrecognized atom type [HG22] in residue THR 29 ** Unrecognized atom type [HG23] in residue THR 29 ** Unrecognized atom type [HG21] in residue THR 33 ** Unrecognized atom type [HG22] in residue THR 33 ** Unrecognized atom type [HG23] in residue THR 33 ** Unrecognized atom type [HE21] in residue GLN 46 ** Unrecognized atom type [HE22] in residue GLN 46 ** Unrecognized atom type [HG11] in residue VAL 49 ** Unrecognized atom type [HG12] in residue VAL 49 ** Unrecognized atom type [HG13] in residue VAL 49 ** Unrecognized atom type [HG21] in residue VAL 49 ** Unrecognized atom type [HG22] in residue VAL 49 ** Unrecognized atom type [HG23] in residue VAL 49 ** Unrecognized atom type [HE21] in residue GLN 54 ** Unrecognized atom type [HE22] in residue GLN 54 ** Unrecognized atom type [HG11] in residue VAL 67 ** Unrecognized atom type [HG12] in residue VAL 67 ** Unrecognized atom type [HG13] in residue VAL 67 ** Unrecognized atom type [HG21] in residue VAL 67 ** Unrecognized atom type [HG22] in residue VAL 67 ** Unrecognized atom type [HG23] in residue VAL 67 ** Unrecognized atom type [ OT1] in residue VAL 67 ** Unrecognized atom type [ OT2] in residue VAL 67 "ZIN": unknown amino acid code Average value of CA-N-C-CB angle is 33.99 Standard deviation is 1.90 * Side chain atoms swapped for residues: * ASP 1 ASP 7 ASP 9 TYR 24 PHE 35 GLU 56 TYR 66 WARNING: Number of atoms/hetatms in new file differs from old file - new number = 1013 old number = 0 Total number of residues changed and total number of residues: ALA 0 6 CYS 0 2 ASP 3 5 GLU 1 5 PHE 1 3 GLY 0 5 HIS 0 3 ILE 0 1 LYS 0 5 LEU 0 6 MET 0 1 ASN 0 2 PRO 0 4 GLN 0 2 ARG 0 5 SER 0 5 THR 0 2 VAL 0 2 TYR 2 3 * Program completed