1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79
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data_model
#
_entry.id model
_exptl.entry_id model
_exptl.method "THEORETICAL MODEL"
#
_modeller.version should-be-ignored
_modeller.produced_by 'MODELLER Version 10.5 2024/01/23 11:31:44'
_modeller.objective_function 266.4716
_modeller.best_template_pct_seq_id 37.037
_modeller.sequence 1fdx
_modeller.alignment modeller_model.ali
_modeller.script modeller_model.py
#
loop_
_citation.id
_citation.title
_citation.journal_abbrev
_citation.journal_volume
_citation.page_first
_citation.page_last
_citation.year
_citation.pdbx_database_id_PubMed
_citation.pdbx_database_id_DOI
primary 'Comparative protein modelling by satisfaction of spatial restraints.'
'J Mol Biol' 234 779 815 1993 8254673 10.1006/jmbi.1993.1626
#
loop_
_citation_author.citation_id
_citation_author.name
_citation_author.ordinal
primary 'Sali, A.' 1
primary 'Blundell, T.L.' 2
#
loop_
_software.pdbx_ordinal
_software.name
_software.classification
_software.description
_software.version
_software.type
_software.location
_software.citation_id
1 MODELLER 'comparative modeling'
'Comparative modeling by satisfaction of spatial restraints, build 2023/10/23 11:26:12' 10.4 program
https://salilab.org/modeller/ primary
#
loop_
_modeller_template.id
_modeller_template.name
_modeller_template.template_begin
_modeller_template.template_end
_modeller_template.target_begin
_modeller_template.target_end
_modeller_template.pct_seq_id
1 3jroC 33:C 424:C 33:A 424:A 100.0
2 3f3fG 482:G 551:G 429:A 488:A 10.0
3 1abcA 1:A 10:A 1:B 20:B 10.0
#
loop_
_atom_site.group_PDB
_atom_site.type_symbol
_atom_site.label_atom_id
_atom_site.label_alt_id
_atom_site.label_comp_id
_atom_site.label_asym_id
_atom_site.auth_asym_id
_atom_site.label_seq_id
_atom_site.auth_seq_id
_atom_site.pdbx_PDB_ins_code
_atom_site.Cartn_x
_atom_site.Cartn_y
_atom_site.Cartn_z
_atom_site.occupancy
_atom_site.B_iso_or_equiv
_atom_site.label_entity_id
_atom_site.id
_atom_site.pdbx_PDB_model_num
ATOM C CA . ALA A A 1 1 ? 25.847 14.655 5.416 1.000 21.304 1 2 1
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