NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
579388 |
2mkk   |
19778 | cing | 2-parsed | STAR | dihedral angle | 5 |
data_2mkk_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mkk
_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_2mkk 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mkk
_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 2mkk "Master copy" parsed_2mkk
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mkk
_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 2mkk.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mkk 1
1 2mkk.mr . . AMBER 2 distance NOE simple 1847 parsed_2mkk 1
1 2mkk.mr . . AMBER 3 distance "hydrogen bond" simple 140 parsed_2mkk 1
1 2mkk.mr . . AMBER 4 "dihedral angle" "Not applicable" "Not applicable" 5 parsed_2mkk 1
1 2mkk.mr . . AMBER 5 stereochemistry chirality "Not applicable" 0 parsed_2mkk 1
1 2mkk.mr . . AMBER 6 unknown "Not applicable" "Not applicable" 0 parsed_2mkk 1
1 2mkk.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mkk 1
stop_
save_
save_AMBER_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2mkk
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 190.0 . 2mkk_ambr002 1 RU5 C5' 2mkk_ambr002 1 RU5 C4' 2mkk_ambr002 1 RU5 C3' 2mkk_ambr002 1 RU5 O3' parsed_2mkk 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 190.0 . 2mkk_ambr002 2 RU C5' 2mkk_ambr002 2 RU C4' 2mkk_ambr002 2 RU C3' 2mkk_ambr002 2 RU O3' parsed_2mkk 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 190.0 . 2mkk_ambr002 3 RU C5' 2mkk_ambr002 3 RU C4' 2mkk_ambr002 3 RU C3' 2mkk_ambr002 3 RU O3' parsed_2mkk 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 190.0 . 2mkk_ambr002 4 RU C5' 2mkk_ambr002 4 RU C4' 2mkk_ambr002 4 RU C3' 2mkk_ambr002 4 RU O3' parsed_2mkk 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 190.0 . 2mkk_ambr002 5 RA3 C5' 2mkk_ambr002 5 RA3 C4' 2mkk_ambr002 5 RA3 C3' 2mkk_ambr002 5 RA3 O3' parsed_2mkk 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
;
3532 atoms read from pdb file amber_cycle001.pdb.
214 URA DELTA: (214 RU5 C5')-(214 RU5 C4')-(214 RU5 C3')-(214 RU5 O3') 130.0 190.0
;
1 1 2 86 parsed_2mkk 1
2 "215 URA DELTA: (215 RU C5')-(215 RU C4')-(215 RU C3')-(215 RU O3') 130.0 190.0" 7 1 7 82 parsed_2mkk 1
3 "216 URA DELTA: (216 RU C5')-(216 RU C4')-(216 RU C3')-(216 RU O3') 130.0 190.0" 12 1 12 82 parsed_2mkk 1
4 "217 URA DELTA: (217 RU C5')-(217 RU C4')-(217 RU C3')-(217 RU O3') 130.0 190.0" 17 1 17 82 parsed_2mkk 1
5 "218 ADE DELTA: (218 RA3 C5')-(218 RA3 C4')-(218 RA3 C3')-(218 RA3 O3') 130.0 190.0" 22 1 22 86 parsed_2mkk 1
stop_
save_
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