NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
612709 | 5x3l | 36057 | cing | 2-parsed | STAR | entry | full | 32 |
data_5x3l_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_5x3l _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 "Conversion project" NMR . parsed_5x3l 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_5x3l _Entry.Title "Original constraint list(s)" _Entry.Version_type original _Entry.Submission_date . _Entry.Accession_date . _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination . _Entry.NMR_STAR_version 3.1 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5x3l "Master copy" parsed_5x3l stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_5x3l _Constraint_stat_list.ID 1 loop_ _Constraint_file.ID _Constraint_file.Constraint_filename _Constraint_file.Software_ID _Constraint_file.Software_label _Constraint_file.Software_name _Constraint_file.Block_ID _Constraint_file.Constraint_type _Constraint_file.Constraint_subtype _Constraint_file.Constraint_subsubtype _Constraint_file.Constraint_number _Constraint_file.Entry_ID _Constraint_file.Constraint_stat_list_ID 1 5x3l.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5x3l 1 1 5x3l.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 32 parsed_5x3l 1 1 5x3l.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5x3l 1 stop_ save_ save_MR_file_comment_1 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_5x3l _Org_constr_file_comment.ID 1 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 1 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; *HEADER ANTIMICROBIAL PROTEIN 06-FEB-17 5X3L *TITLE SOLUTION STRUCTURE OF A NOVEL ANTIMICROBIAL PEPTIDE, P1, FROM JUMPER *TITLE 2 ANT MYRMECIA PILOSULA *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: PILOSULIN-1; *COMPND 3 CHAIN: A; *COMPND 4 FRAGMENT: CRITICAL FOR CYTOTOXIC ACTIVITY DOMAIN, UNP RESIDUES 57-76; *COMPND 5 SYNONYM: ALLERGEN MYR P I,MAJOR ALLERGEN MYR P 1; *COMPND 6 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: MYRMECIA PILOSULA; *SOURCE 4 ORGANISM_COMMON: JACK JUMPER ANT; *SOURCE 5 ORGANISM_TAXID: 13618 *KEYWDS CNS, MOLMOL, ANTIMICROBIAL PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR T.-S.TSENG,C.CHEN *REVDAT 1 15-FEB-17 5X3L 0 ; save_ save_CNS/XPLOR_dihedral_2 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_5x3l _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 2 _Torsion_angle_constraint_list.Details "Generated by Wattos" loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Assembly_atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Seq_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Resonance_ID_1 _Torsion_angle_constraint.Assembly_atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Seq_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Resonance_ID_2 _Torsion_angle_constraint.Assembly_atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Seq_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Resonance_ID_3 _Torsion_angle_constraint.Assembly_atom_ID_4 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Seq_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Resonance_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Source_experiment_ID _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.7 -41.7 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_5x3l 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.7 -19.7 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_5x3l 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.9 -45.9 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_5x3l 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.5 -21.5 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_5x3l 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.6 -41.6 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_5x3l 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.8 -25.8 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_5x3l 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.6 -42.6 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_5x3l 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.7 -19.7 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_5x3l 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.7 -46.7 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_5x3l 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.5 -19.5 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_5x3l 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.7 -42.7 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_5x3l 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.2 -16.6 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_5x3l 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.4 -43.4 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_5x3l 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.0 -22.0 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_5x3l 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.3 -48.3 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_5x3l 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.7 -17.1 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_5x3l 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.2 -45.0 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_5x3l 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.0 -19.0 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_5x3l 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.0 -32.8 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_5x3l 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.4 -1.0 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_5x3l 1 21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -122.7 -31.7 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_5x3l 1 22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.6 -8.6 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_5x3l 1 23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.8 -44.6 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_5x3l 1 24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.0 24.2 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_5x3l 1 25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.3 -36.3 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_5x3l 1 26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.5 -19.9 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_5x3l 1 27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.7 -83.7 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_5x3l 1 28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 92.4 192.0 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_5x3l 1 29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.7 -44.1 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_5x3l 1 30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 131.7 177.1 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_5x3l 1 31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.9 -39.9 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_5x3l 1 32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.0 5.8 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_5x3l 1 stop_ loop_ _TA_constraint_comment_org.ID _TA_constraint_comment_org.Comment_text _TA_constraint_comment_org.Comment_begin_line _TA_constraint_comment_org.Comment_begin_column _TA_constraint_comment_org.Comment_end_line _TA_constraint_comment_org.Comment_end_column _TA_constraint_comment_org.Entry_ID _TA_constraint_comment_org.Torsion_angle_constraint_list_ID 1 "error margins are set to conservative default values of double the standard deviation observed in TALOS+, capped at a minimum of +/-20 degree." 2 3 2 153 parsed_5x3l 1 stop_ loop_ _TA_constraint_parse_err.ID _TA_constraint_parse_err.Content _TA_constraint_parse_err.Begin_line _TA_constraint_parse_err.Begin_column _TA_constraint_parse_err.End_line _TA_constraint_parse_err.End_column _TA_constraint_parse_err.Entry_ID _TA_constraint_parse_err.Torsion_angle_constraint_list_ID 1 ; # Restraints file 1: Plio_talos_3.tab # REMARK error margins are set to conservative default values of double the standard deviation observed in TALOS+, capped at a minimum of +/-20 degree. ; 1 1 2 1 parsed_5x3l 1 stop_ save_
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