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 |
|
|
654085 |
7jgy   |
30776 | cing | 2-parsed | STAR | dihedral angle | 20 |
data_7jgy_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_7jgy
_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_7jgy 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_7jgy
_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 7jgy "Master copy" parsed_7jgy
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_7jgy
_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 7jgy.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_7jgy 1
1 7jgy.mr . . DYANA/DIANA 2 distance NOE simple 64 parsed_7jgy 1
1 7jgy.mr . . DYANA/DIANA 3 "dihedral angle" "Not applicable" "Not applicable" 20 parsed_7jgy 1
1 7jgy.mr . . DYANA/DIANA 4 distance "hydrogen bond" simple 0 parsed_7jgy 1
1 7jgy.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_7jgy 1
stop_
save_
save_DYANA/DIANA_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_7jgy
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_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 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.0 -42.0 . . 2 LEU . . . . . . . . . . . . . parsed_7jgy 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.3 -17.3 . . 2 LEU . . . . . . . . . . . . . parsed_7jgy 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.1 -42.1 . . 3 GLY . . . . . . . . . . . . . parsed_7jgy 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.7 -22.7 . . 3 GLY . . . . . . . . . . . . . parsed_7jgy 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.7 -46.7 . . 4 THR . . . . . . . . . . . . . parsed_7jgy 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.1 -20.1 . . 4 THR . . . . . . . . . . . . . parsed_7jgy 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.3 -45.3 . . 5 ILE . . . . . . . . . . . . . parsed_7jgy 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.9 -23.9 . . 5 ILE . . . . . . . . . . . . . parsed_7jgy 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.4 -44.4 . . 6 LEU . . . . . . . . . . . . . parsed_7jgy 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.6 -22.6 . . 6 LEU . . . . . . . . . . . . . parsed_7jgy 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.2 -43.2 . . 7 GLY . . . . . . . . . . . . . parsed_7jgy 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.1 -20.1 . . 7 GLY . . . . . . . . . . . . . parsed_7jgy 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.5 -43.5 . . 8 LEU . . . . . . . . . . . . . parsed_7jgy 1
14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.1 -24.1 . . 8 LEU . . . . . . . . . . . . . parsed_7jgy 1
15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.8 -43.8 . . 9 LEU . . . . . . . . . . . . . parsed_7jgy 1
16 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.1 -22.1 . . 9 LEU . . . . . . . . . . . . . parsed_7jgy 1
17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.9 -42.9 . . 10 LYS . . . . . . . . . . . . . parsed_7jgy 1
18 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.9 -19.9 . . 10 LYS . . . . . . . . . . . . . parsed_7jgy 1
19 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.9 -41.9 . . 11 GLY . . . . . . . . . . . . . parsed_7jgy 1
20 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.0 -18.0 . . 11 GLY . . . . . . . . . . . . . parsed_7jgy 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 "dihedral angle restraints" 1 1 1 26 parsed_7jgy 1
2 "2 L -62.010 -37.256 5.072 6.203 0.781 0.837 25 12 Strong" 3 1 3 72 parsed_7jgy 1
3 "3 G -62.115 -42.674 3.156 3.586 0.558 0.850 25 14 Strong" 7 1 7 72 parsed_7jgy 1
4 "4 T -66.746 -40.138 3.229 4.490 0.462 0.868 25 14 Strong" 11 1 11 72 parsed_7jgy 1
5 "5 I -65.282 -43.862 4.171 4.771 0.376 0.877 25 15 Strong" 15 1 15 72 parsed_7jgy 1
6 "6 L -64.400 -42.644 3.689 5.542 0.320 0.879 25 14 Strong" 19 1 19 72 parsed_7jgy 1
7 "7 G -63.217 -40.150 3.622 4.735 0.332 0.870 25 14 Strong" 23 1 23 72 parsed_7jgy 1
8 "8 L -63.526 -44.130 3.270 4.203 0.307 0.864 25 14 Strong" 27 1 27 72 parsed_7jgy 1
9 "9 L -63.799 -42.137 2.790 3.315 0.371 0.865 25 15 Strong" 31 1 31 72 parsed_7jgy 1
10 "10 K -62.920 -39.880 4.523 5.504 0.426 0.863 25 14 Strong" 35 1 35 72 parsed_7jgy 1
11 "11 G -61.930 -38.029 4.415 6.341 0.545 0.856 25 14 Strong" 39 1 39 72 parsed_7jgy 1
stop_
save_
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