Hi, Modeller caretakers...
Recently, i am trying to introduce HETATM into my built model, however i have encountered a problem, which is 631E:
"No aligned template residues for BLK residue; number of templates: @I1 Make sure that each BLK residue in your target sequence is aligned with your templates. (This can also be caused by a lack of structural information. Make sure you are using a PIR, not FASTA, alignment file, and that the template headers use 'structureX' not 'sequence'.)"
and this is my alignment:
>P1;2ZWRA structureX:2ZWR.pdb: 1 :A:+202 :A:MOL_ID 1; MOLECULE METALLO-BETA-LACTAMASE SUPERFAMILY PROTEIN; CHAIN A, B; ENGINEERED YES:MOL_ID 1; ORGANISM_SCIENTIFIC THERMUS THERMOPHILUS; ORGANISM_TAXID 300852; STRAIN HB8; GENE TTHA1623; EXPRESSION_SYSTEM ESCHERICHIA COLI; EXPRESSION_SYSTEM_TAXID 562; EXPRESSION_SYSTEM_VECTOR_TYPE PLASMID; EXPRESSION_SYSTEM_PLASMID PET11A: 2.20: 0.19 MRVFPVTLGPLQENAYLVETG-EGPVLIDPGDEPEKLLALFQTTGLIPLAILLTHAHFDHVGAVAPLVEALDLPV YLHP-----L-DLPLYEGADLAARAWGLAIPKPPLPVRPLEEGMRLFGFQVLHLPGHSPGHVAFYDPEGAQVFSG DLLFRGSVGRYDLPGADPKALFASLK-RLLSLPPETRVHPGHGPGTTLGLEARTNPFL..*
>P1;Metallo-beta-lactamase sequence:Metallo-beta-lactamase: :212 : : ::: 0.00: 0.00 M-FKQIPLGPIQTNAYVLYNDDKEAVIFDPGGDAEALITWLKREQLTPLAILLTHAHFDHIGAVDAVRDTFSIPV YLHTKERHWLEDPALNGSSRLTGRPITTAKPADHLLTNEKSLTIGTFTFSVFHTPGHSPGSVSYYYQKEAVLFSG DVLFQQSIGRTDLRGGDHTLLLASIHNKILPLPERTIVASGHGPLTTIGQEMDHNPFLTGY--..*
Your suggestion is much more appreciated... Thank you
On 01/05/2013 09:11 AM, si yang wrote: > Recently, i am trying to introduce HETATM into my built model, however i > have encountered a problem, which is 631E:
Just like the error says, you've aligned your BLK (.) residue in the model with nothing in the template. BLK residues in the model must be aligned with BLK residues in the template. You could achieve this by adding gaps to the end of your 2ZWRA sequence, so that the last line looks something like
DLLFRGSVGRYDLPGADPKALFASLK-RLLSLPPETRVHPGHGPGTTLGLEARTNPFL-----..*
Ben Webb, Modeller Caretaker
participants (2)
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Modeller Caretaker
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si yang