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 [HE21] in residue GLN 17 ** Unrecognized atom type [HE22] in residue GLN 17 ** Unrecognized atom type [HG11] in residue VAL 18 ** Unrecognized atom type [HG12] in residue VAL 18 ** Unrecognized atom type [HG13] in residue VAL 18 ** Unrecognized atom type [HG21] in residue VAL 18 ** Unrecognized atom type [HG22] in residue VAL 18 ** Unrecognized atom type [HG23] in residue VAL 18 ** Unrecognized atom type [HG11] in residue ILE 19 ** Unrecognized atom type [HG12] in residue ILE 19 ** Unrecognized atom type [HG21] in residue ILE 19 ** Unrecognized atom type [HG22] in residue ILE 19 ** Unrecognized atom type [HG23] in residue ILE 19 ** Unrecognized atom type [HG21] in residue THR 23 ** Unrecognized atom type [HG22] in residue THR 23 ** Unrecognized atom type [HG23] in residue THR 23 ** Unrecognized atom type [HG11] in residue VAL 24 ** Unrecognized atom type [HG12] in residue VAL 24 ** Unrecognized atom type [HG13] in residue VAL 24 ** Unrecognized atom type [HG21] in residue VAL 24 ** Unrecognized atom type [HG22] in residue VAL 24 ** Unrecognized atom type [HG23] in residue VAL 24 ** Unrecognized atom type [HG21] in residue THR 26 ** Unrecognized atom type [HG22] in residue THR 26 ** Unrecognized atom type [HG23] in residue THR 26 ** Unrecognized atom type [HE21] in residue GLN 30 ** Unrecognized atom type [HE22] in residue GLN 30 ** Unrecognized atom type [HE21] in residue GLN 32 ** Unrecognized atom type [HE22] in residue GLN 32 ** 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 41 ** Unrecognized atom type [HG12] in residue VAL 41 ** Unrecognized atom type [HG13] in residue VAL 41 ** Unrecognized atom type [HG21] in residue VAL 41 ** Unrecognized atom type [HG22] in residue VAL 41 ** Unrecognized atom type [HG23] in residue VAL 41 ** Unrecognized atom type [HG11] in residue VAL 42 ** Unrecognized atom type [HG12] in residue VAL 42 ** Unrecognized atom type [HG13] in residue VAL 42 ** Unrecognized atom type [HG21] in residue VAL 42 ** Unrecognized atom type [HG22] in residue VAL 42 ** Unrecognized atom type [HG23] in residue VAL 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 [HG21] in residue THR 46 ** Unrecognized atom type [HG22] in residue THR 46 ** Unrecognized atom type [HG23] in residue THR 46 ** Unrecognized atom type [HG11] in residue ILE 56 ** Unrecognized atom type [HG12] in residue ILE 56 ** Unrecognized atom type [HG21] in residue ILE 56 ** Unrecognized atom type [HG22] in residue ILE 56 ** Unrecognized atom type [HG23] in residue ILE 56 ** Unrecognized atom type [HG11] in residue VAL 70 ** Unrecognized atom type [HG12] in residue VAL 70 ** Unrecognized atom type [HG13] in residue VAL 70 ** Unrecognized atom type [HG21] in residue VAL 70 ** Unrecognized atom type [HG22] in residue VAL 70 ** Unrecognized atom type [HG23] in residue VAL 70 ** Unrecognized atom type [HG11] in residue VAL 75 ** Unrecognized atom type [HG12] in residue VAL 75 ** Unrecognized atom type [HG13] in residue VAL 75 ** Unrecognized atom type [HG21] in residue VAL 75 ** Unrecognized atom type [HG22] in residue VAL 75 ** Unrecognized atom type [HG23] in residue VAL 75 ** Unrecognized atom type [HG21] in residue THR 77 ** Unrecognized atom type [HG22] in residue THR 77 ** Unrecognized atom type [HG23] in residue THR 77 ** Unrecognized atom type [HG11] in residue VAL 83 ** Unrecognized atom type [HG12] in residue VAL 83 ** Unrecognized atom type [HG13] in residue VAL 83 ** Unrecognized atom type [HG21] in residue VAL 83 ** Unrecognized atom type [HG22] in residue VAL 83 ** Unrecognized atom type [HG23] in residue VAL 83 ** Unrecognized atom type [HG11] in residue ILE 89 ** Unrecognized atom type [HG12] in residue ILE 89 ** Unrecognized atom type [HG21] in residue ILE 89 ** Unrecognized atom type [HG22] in residue ILE 89 ** Unrecognized atom type [HG23] in residue ILE 89 ** Unrecognized atom type [HE21] in residue GLN 90 ** Unrecognized atom type [HE22] in residue GLN 90 ** Unrecognized atom type [HG21] in residue THR 94 ** Unrecognized atom type [HG22] in residue THR 94 ** Unrecognized atom type [HG23] in residue THR 94 ** Unrecognized atom type [HG11] in residue ILE 103 ** Unrecognized atom type [HG12] in residue ILE 103 ** Unrecognized atom type [HG21] in residue ILE 103 ** Unrecognized atom type [HG22] in residue ILE 103 ** Unrecognized atom type [HG23] in residue ILE 103 ** Unrecognized atom type [HG11] in residue VAL 107 ** Unrecognized atom type [HG12] in residue VAL 107 ** Unrecognized atom type [HG13] in residue VAL 107 ** Unrecognized atom type [HG21] in residue VAL 107 ** Unrecognized atom type [HG22] in residue VAL 107 ** Unrecognized atom type [HG23] in residue VAL 107 ** Unrecognized atom type [HG11] in residue VAL 108 ** Unrecognized atom type [HG12] in residue VAL 108 ** Unrecognized atom type [HG13] in residue VAL 108 ** Unrecognized atom type [HG21] in residue VAL 108 ** Unrecognized atom type [HG22] in residue VAL 108 ** Unrecognized atom type [HG23] in residue VAL 108 ** Unrecognized atom type [HE21] in residue GLN 116 ** Unrecognized atom type [HE22] in residue GLN 116 ** Unrecognized atom type [HG21] in residue THR 118 ** Unrecognized atom type [HG22] in residue THR 118 ** Unrecognized atom type [HG23] in residue THR 118 ** Unrecognized atom type [HG11] in residue ILE 119 ** Unrecognized atom type [HG12] in residue ILE 119 ** Unrecognized atom type [HG21] in residue ILE 119 ** Unrecognized atom type [HG22] in residue ILE 119 ** Unrecognized atom type [HG23] in residue ILE 119 ** Unrecognized atom type [ OT1] in residue ALA 124 ** Unrecognized atom type [ OT2] in residue ALA 124 Average value of CA-N-C-CB angle is 34.32 Standard deviation is 1.54 * Side chain atoms swapped for residues: * GLU 14 GLU 15 GLU 29 GLU 36 PHE 45 PHE 72 ASP 76 WARNING: Number of atoms/hetatms in new file differs from old file - new number = 1842 old number = 0 * ASP 86 PHE 95 GLU 100 ASP 113 Total number of residues changed and total number of residues: ALA 0 13 CYS 0 3 ASP 3 7 GLU 5 9 PHE 3 7 GLY 0 5 HIS 0 8 ILE 0 5 LYS 0 12 LEU 0 12 MET 0 4 ASN 0 3 PRO 0 4 GLN 0 5 ARG 0 1 SER 0 6 THR 0 7 VAL 0 10 TRP 0 3 * Program completed