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 [HG21] in residue THR 4 ** Unrecognized atom type [HG22] in residue THR 4 ** Unrecognized atom type [HG23] in residue THR 4 ** Unrecognized atom type [HG11] in residue VAL 7 ** Unrecognized atom type [HG12] in residue VAL 7 ** Unrecognized atom type [HG13] in residue VAL 7 ** Unrecognized atom type [HG21] in residue VAL 7 ** Unrecognized atom type [HG22] in residue VAL 7 ** Unrecognized atom type [HG23] in residue VAL 7 ** Unrecognized atom type [HE21] in residue GLN 8 ** Unrecognized atom type [HE22] in residue GLN 8 ** Unrecognized atom type [HG11] in residue ILE 14 ** Unrecognized atom type [HG12] in residue ILE 14 ** Unrecognized atom type [HG21] in residue ILE 14 ** Unrecognized atom type [HG22] in residue ILE 14 ** Unrecognized atom type [HG23] in residue ILE 14 ** Unrecognized atom type [HG11] in residue ILE 24 ** Unrecognized atom type [HG12] in residue ILE 24 ** Unrecognized atom type [HG21] in residue ILE 24 ** Unrecognized atom type [HG22] in residue ILE 24 ** Unrecognized atom type [HG23] in residue ILE 24 ** Unrecognized atom type [HG11] in residue ILE 38 ** Unrecognized atom type [HG12] in residue ILE 38 ** Unrecognized atom type [HG21] in residue ILE 38 ** Unrecognized atom type [HG22] in residue ILE 38 ** Unrecognized atom type [HG23] in residue ILE 38 ** Unrecognized atom type [HG21] in residue THR 39 ** Unrecognized atom type [HG22] in residue THR 39 ** Unrecognized atom type [HG23] in residue THR 39 ** Unrecognized atom type [HG11] in residue VAL 40 ** Unrecognized atom type [HG12] in residue VAL 40 ** Unrecognized atom type [HG13] in residue VAL 40 ** Unrecognized atom type [HG21] in residue VAL 40 ** Unrecognized atom type [HG22] in residue VAL 40 ** Unrecognized atom type [HG23] in residue VAL 40 ** Unrecognized atom type [HG21] in residue THR 51 ** Unrecognized atom type [HG22] in residue THR 51 ** Unrecognized atom type [HG23] in residue THR 51 ** Unrecognized atom type [HG11] in residue VAL 52 ** Unrecognized atom type [HG12] in residue VAL 52 ** Unrecognized atom type [HG13] in residue VAL 52 ** Unrecognized atom type [HG21] in residue VAL 52 ** Unrecognized atom type [HG22] in residue VAL 52 ** Unrecognized atom type [HG23] in residue VAL 52 ** Unrecognized atom type [HG11] in residue VAL 61 ** Unrecognized atom type [HG12] in residue VAL 61 ** Unrecognized atom type [HG13] in residue VAL 61 ** Unrecognized atom type [HG21] in residue VAL 61 ** Unrecognized atom type [HG22] in residue VAL 61 ** Unrecognized atom type [HG23] in residue VAL 61 ** Unrecognized atom type [HG21] in residue THR 64 ** Unrecognized atom type [HG22] in residue THR 64 ** Unrecognized atom type [HG23] in residue THR 64 ** Unrecognized atom type [HG11] in residue VAL 65 ** Unrecognized atom type [HG12] in residue VAL 65 ** Unrecognized atom type [HG13] in residue VAL 65 ** Unrecognized atom type [HG21] in residue VAL 65 ** Unrecognized atom type [HG22] in residue VAL 65 ** Unrecognized atom type [HG23] in residue VAL 65 ** Unrecognized atom type [HG11] in residue VAL 71 ** Unrecognized atom type [HG12] in residue VAL 71 ** Unrecognized atom type [HG13] in residue VAL 71 ** Unrecognized atom type [HG21] in residue VAL 71 ** Unrecognized atom type [HG22] in residue VAL 71 ** Unrecognized atom type [HG23] in residue VAL 71 ** Unrecognized atom type [HE21] in residue GLN 83 ** Unrecognized atom type [HE22] in residue GLN 83 ** Unrecognized atom type [HG11] in residue ILE 85 ** Unrecognized atom type [HG12] in residue ILE 85 ** Unrecognized atom type [HG21] in residue ILE 85 ** Unrecognized atom type [HG22] in residue ILE 85 ** Unrecognized atom type [HG23] in residue ILE 85 ** Unrecognized atom type [HG21] in residue THR 91 ** Unrecognized atom type [HG22] in residue THR 91 ** Unrecognized atom type [HG23] in residue THR 91 ** Unrecognized atom type [HG11] in residue VAL 94 ** Unrecognized atom type [HG12] in residue VAL 94 ** Unrecognized atom type [HG13] in residue VAL 94 ** Unrecognized atom type [HG21] in residue VAL 94 ** Unrecognized atom type [HG22] in residue VAL 94 ** Unrecognized atom type [HG23] in residue VAL 94 ** Unrecognized atom type [HG11] in residue ILE 95 ** Unrecognized atom type [HG12] in residue ILE 95 ** Unrecognized atom type [HG21] in residue ILE 95 ** Unrecognized atom type [HG22] in residue ILE 95 ** Unrecognized atom type [HG23] in residue ILE 95 ** Unrecognized atom type [HG11] in residue ILE 96 ** Unrecognized atom type [HG12] in residue ILE 96 ** Unrecognized atom type [HG21] in residue ILE 96 ** Unrecognized atom type [HG22] in residue ILE 96 ** Unrecognized atom type [HG23] in residue ILE 96 ** Unrecognized atom type [ OT1] in residue CYS 102 ** Unrecognized atom type [ OT2] in residue CYS 102 Average value of CA-N-C-CB angle is 34.17 Standard deviation is 1.91 * Side chain atoms swapped for residues: * ASP 3 GLU 16 TYR 31 PHE 32 PHE 36 ASP 41 TYR 45 WARNING: Number of atoms/hetatms in new file differs from old file - new number = 1584 old number = 0 * PHE 70 TYR 81 ASP 87 ASP 89 PHE 92 Total number of residues changed and total number of residues: ALA 0 2 CYS 0 1 ASP 4 7 GLU 1 7 PHE 4 9 GLY 0 7 HIS 0 1 ILE 0 6 LYS 0 8 LEU 0 7 MET 0 4 ASN 0 5 PRO 0 5 GLN 0 2 ARG 0 5 SER 0 6 THR 0 5 VAL 0 7 TRP 0 2 TYR 3 6 * Program completed