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 22 ** Unrecognized atom type [HG22] in residue THR 22 ** Unrecognized atom type [HG23] in residue THR 22 ** Unrecognized atom type [HE21] in residue GLN 25 ** Unrecognized atom type [HE22] in residue GLN 25 ** Unrecognized atom type [HE21] in residue GLN 30 ** Unrecognized atom type [HE22] in residue GLN 30 ** Unrecognized atom type [HE21] in residue GLN 37 ** Unrecognized atom type [HE22] in residue GLN 37 ** 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 [HE21] in residue GLN 48 ** Unrecognized atom type [HE22] in residue GLN 48 ** Unrecognized atom type [HG11] in residue VAL 54 ** Unrecognized atom type [HG12] in residue VAL 54 ** Unrecognized atom type [HG13] in residue VAL 54 ** Unrecognized atom type [HG21] in residue VAL 54 ** Unrecognized atom type [HG22] in residue VAL 54 ** Unrecognized atom type [HG23] in residue VAL 54 ** Unrecognized atom type [HE21] in residue GLN 57 ** Unrecognized atom type [HE22] in residue GLN 57 ** Unrecognized atom type [HG11] in residue ILE 66 ** Unrecognized atom type [HG12] in residue ILE 66 ** Unrecognized atom type [HG21] in residue ILE 66 ** Unrecognized atom type [HG22] in residue ILE 66 ** Unrecognized atom type [HG23] in residue ILE 66 ** Unrecognized atom type [HE21] in residue GLN 67 ** Unrecognized atom type [HE22] in residue GLN 67 ** 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 [HE21] in residue GLN 71 ** Unrecognized atom type [HE22] in residue GLN 71 ** Unrecognized atom type [HE21] in residue GLN 73 ** Unrecognized atom type [HE22] in residue GLN 73 ** Unrecognized atom type [HG11] in residue VAL 85 ** Unrecognized atom type [HG12] in residue VAL 85 ** Unrecognized atom type [HG13] in residue VAL 85 ** Unrecognized atom type [HG21] in residue VAL 85 ** Unrecognized atom type [HG22] in residue VAL 85 ** Unrecognized atom type [HG23] in residue VAL 85 ** Unrecognized atom type [HG21] in residue THR 322 ** Unrecognized atom type [HG22] in residue THR 322 ** Unrecognized atom type [HG23] in residue THR 322 ** Unrecognized atom type [HE21] in residue GLN 325 ** Unrecognized atom type [HE22] in residue GLN 325 ** Unrecognized atom type [HE21] in residue GLN 330 ** Unrecognized atom type [HE22] in residue GLN 330 ** Unrecognized atom type [HE21] in residue GLN 337 ** Unrecognized atom type [HE22] in residue GLN 337 ** Unrecognized atom type [HG11] in residue VAL 343 ** Unrecognized atom type [HG12] in residue VAL 343 ** Unrecognized atom type [HG13] in residue VAL 343 ** Unrecognized atom type [HG21] in residue VAL 343 ** Unrecognized atom type [HG22] in residue VAL 343 ** Unrecognized atom type [HG23] in residue VAL 343 ** Unrecognized atom type [HE21] in residue GLN 348 ** Unrecognized atom type [HE22] in residue GLN 348 ** Unrecognized atom type [HG11] in residue VAL 354 ** Unrecognized atom type [HG12] in residue VAL 354 ** Unrecognized atom type [HG13] in residue VAL 354 ** Unrecognized atom type [HG21] in residue VAL 354 ** Unrecognized atom type [HG22] in residue VAL 354 ** Unrecognized atom type [HG23] in residue VAL 354 ** Unrecognized atom type [HE21] in residue GLN 357 ** Unrecognized atom type [HE22] in residue GLN 357 ** Unrecognized atom type [HG11] in residue ILE 366 ** Unrecognized atom type [HG12] in residue ILE 366 ** Unrecognized atom type [HG21] in residue ILE 366 ** Unrecognized atom type [HG22] in residue ILE 366 ** Unrecognized atom type [HG23] in residue ILE 366 ** Unrecognized atom type [HE21] in residue GLN 367 ** Unrecognized atom type [HE22] in residue GLN 367 ** Unrecognized atom type [HG11] in residue VAL 370 ** Unrecognized atom type [HG12] in residue VAL 370 ** Unrecognized atom type [HG13] in residue VAL 370 ** Unrecognized atom type [HG21] in residue VAL 370 ** Unrecognized atom type [HG22] in residue VAL 370 ** Unrecognized atom type [HG23] in residue VAL 370 ** Unrecognized atom type [HE21] in residue GLN 371 ** Unrecognized atom type [HE22] in residue GLN 371 ** Unrecognized atom type [HE21] in residue GLN 373 ** Unrecognized atom type [HE22] in residue GLN 373 ** Unrecognized atom type [HG11] in residue VAL 385 ** Unrecognized atom type [HG12] in residue VAL 385 ** Unrecognized atom type [HG13] in residue VAL 385 ** Unrecognized atom type [HG21] in residue VAL 385 ** Unrecognized atom type [HG22] in residue VAL 385 ** Unrecognized atom type [HG23] in residue VAL 385 ** Unrecognized atom type [ OT1] in residue GLY 394 ** Unrecognized atom type [ OT2] in residue GLY 394 Chain break between 94 ( 94 ) and 95 ( 301 ) Average value of CA-N-C-CB angle is 34.83 Standard deviation is 1.31 * Side chain atoms swapped for residues: * PHE 16 TYR 18 GLU 33 GLU 42 GLU 47 GLU 56 GLU 65 * ASP 86 GLU 91 PHE 316 TYR 318 GLU 333 GLU 342 GLU 347 WARNING: Number of atoms/hetatms in new file differs from old file - new number = 2843 old number = 0 * GLU 356 GLU 365 ASP 386 GLU 391 Total number of residues changed and total number of residues: ALA 0 20 CYS 0 4 ASP 2 4 GLU 12 26 PHE 2 6 GLY 0 18 HIS 0 2 ILE 0 2 LYS 0 2 LEU 0 26 MET 0 2 PRO 0 18 GLN 0 16 ARG 0 22 SER 0 6 THR 0 2 VAL 0 8 TRP 0 2 TYR 2 2 * Program completed