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 2 ** Unrecognized atom type [HG22] in residue THR 2 ** Unrecognized atom type [HG23] in residue THR 2 ** Unrecognized atom type [HG11] in residue VAL 4 ** Unrecognized atom type [HG12] in residue VAL 4 ** Unrecognized atom type [HG13] in residue VAL 4 ** Unrecognized atom type [HG21] in residue VAL 4 ** Unrecognized atom type [HG22] in residue VAL 4 ** Unrecognized atom type [HG23] in residue VAL 4 ** Unrecognized atom type [HG11] in residue ILE 9 ** Unrecognized atom type [HG12] in residue ILE 9 ** Unrecognized atom type [HG21] in residue ILE 9 ** Unrecognized atom type [HG22] in residue ILE 9 ** Unrecognized atom type [HG23] in residue ILE 9 ** Unrecognized atom type [HG21] in residue THR 10 ** Unrecognized atom type [HG22] in residue THR 10 ** Unrecognized atom type [HG23] in residue THR 10 ** Unrecognized atom type [HG21] in residue THR 11 ** Unrecognized atom type [HG22] in residue THR 11 ** Unrecognized atom type [HG23] in residue THR 11 ** Unrecognized atom type [HG21] in residue THR 14 ** Unrecognized atom type [HG22] in residue THR 14 ** Unrecognized atom type [HG23] in residue THR 14 ** Unrecognized atom type [HG11] in residue VAL 38 ** Unrecognized atom type [HG12] in residue VAL 38 ** Unrecognized atom type [HG13] in residue VAL 38 ** Unrecognized atom type [HG21] in residue VAL 38 ** Unrecognized atom type [HG22] in residue VAL 38 ** Unrecognized atom type [HG23] in residue VAL 38 ** Unrecognized atom type [HG11] in residue VAL 39 ** Unrecognized atom type [HG12] in residue VAL 39 ** Unrecognized atom type [HG13] in residue VAL 39 ** Unrecognized atom type [HG21] in residue VAL 39 ** Unrecognized atom type [HG22] in residue VAL 39 ** Unrecognized atom type [HG23] in residue VAL 39 ** Unrecognized atom type [HG21] in residue THR 41 ** Unrecognized atom type [HG22] in residue THR 41 ** Unrecognized atom type [HG23] in residue THR 41 ** Unrecognized atom type [HG21] in residue THR 42 ** Unrecognized atom type [HG22] in residue THR 42 ** Unrecognized atom type [HG23] in residue THR 42 ** Unrecognized atom type [HG11] in residue VAL 43 ** Unrecognized atom type [HG12] in residue VAL 43 ** Unrecognized atom type [HG13] in residue VAL 43 ** Unrecognized atom type [HG21] in residue VAL 43 ** Unrecognized atom type [HG22] in residue VAL 43 ** Unrecognized atom type [HG23] in residue VAL 43 ** Unrecognized atom type [HG11] in residue ILE 48 ** Unrecognized atom type [HG12] in residue ILE 48 ** Unrecognized atom type [HG21] in residue ILE 48 ** Unrecognized atom type [HG22] in residue ILE 48 ** Unrecognized atom type [HG23] in residue ILE 48 ** Unrecognized atom type [HE21] in residue GLN 49 ** Unrecognized atom type [HE22] in residue GLN 49 ** Unrecognized atom type [HE21] in residue GLN 56 ** Unrecognized atom type [HE22] in residue GLN 56 ** Unrecognized atom type [HG21] in residue THR 62 ** Unrecognized atom type [HG22] in residue THR 62 ** Unrecognized atom type [HG23] in residue THR 62 ** Unrecognized atom type [HG11] in residue VAL 73 ** Unrecognized atom type [HG12] in residue VAL 73 ** Unrecognized atom type [HG13] in residue VAL 73 ** Unrecognized atom type [HG21] in residue VAL 73 ** Unrecognized atom type [HG22] in residue VAL 73 ** Unrecognized atom type [HG23] in residue VAL 73 ** Unrecognized atom type [HG11] in residue ILE 79 ** Unrecognized atom type [HG12] in residue ILE 79 ** Unrecognized atom type [HG21] in residue ILE 79 ** Unrecognized atom type [HG22] in residue ILE 79 ** Unrecognized atom type [HG23] in residue ILE 79 ** Unrecognized atom type [HG11] in residue VAL 82 ** Unrecognized atom type [HG12] in residue VAL 82 ** Unrecognized atom type [HG13] in residue VAL 82 ** Unrecognized atom type [HG21] in residue VAL 82 ** Unrecognized atom type [HG22] in residue VAL 82 ** Unrecognized atom type [HG23] in residue VAL 82 ** Unrecognized atom type [HG11] in residue VAL 84 ** Unrecognized atom type [HG12] in residue VAL 84 ** Unrecognized atom type [HG13] in residue VAL 84 ** Unrecognized atom type [HG21] in residue VAL 84 ** Unrecognized atom type [HG22] in residue VAL 84 ** Unrecognized atom type [HG23] in residue VAL 84 ** Unrecognized atom type [HG21] in residue THR 85 ** Unrecognized atom type [HG22] in residue THR 85 ** Unrecognized atom type [HG23] in residue THR 85 ** Unrecognized atom type [ OT1] in residue ASP 90 ** Unrecognized atom type [ OT2] in residue ASP 90 Average value of CA-N-C-CB angle is 33.91 Standard deviation is 1.65 * Side chain atoms swapped for residues: * GLU 3 GLU 8 ASP 30 GLU 36 ARG 47 ASP 52 ASP 55 * ASP 63 ASP 70 ARG 74 ARG 78 ASP 83 GLU 89 ASP 90 WARNING: Number of atoms/hetatms in new file differs from old file - new number = 1298 old number = 0 Total number of residues changed and total number of residues: ALA 0 4 ASP 7 12 GLU 4 6 PHE 0 2 GLY 0 9 HIS 0 1 ILE 0 3 LYS 0 8 LEU 0 10 MET 0 4 ASN 0 3 PRO 0 2 GLN 0 2 ARG 3 3 SER 0 3 THR 0 8 VAL 0 7 TYR 0 3 * Program completed