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 |
|
|
45358 |
2e5k   |
10337 | cing | 2-parsed | STAR | dihedral angle | 35 |
data_2e5k_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2e5k
_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_2e5k 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2e5k
_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 2e5k "Master copy" parsed_2e5k
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2e5k
_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 2e5k.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2e5k 1
1 2e5k.mr . . DYANA/DIANA 2 "dihedral angle" "Not applicable" "Not applicable" 35 parsed_2e5k 1
1 2e5k.mr . . DYANA/DIANA 3 distance NOE simple 0 parsed_2e5k 1
1 2e5k.mr . . DYANA/DIANA 4 distance "general distance" simple 0 parsed_2e5k 1
1 2e5k.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2e5k 1
stop_
save_
save_DYANA/DIANA_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2e5k
_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 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134.16 -74.16 . . 18 THR . . . . . . . . . . . . . parsed_2e5k 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.59 156.59 . . 18 THR . . . . . . . . . . . . . parsed_2e5k 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.71 -84.71 . . 19 LEU . . . . . . . . . . . . . parsed_2e5k 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.98 165.98 . . 19 LEU . . . . . . . . . . . . . parsed_2e5k 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168.82 -108.82 . . 20 GLN . . . . . . . . . . . . . parsed_2e5k 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.66 175.66 . . 20 GLN . . . . . . . . . . . . . parsed_2e5k 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.44 -98.44 . . 40 PHE . . . . . . . . . . . . . parsed_2e5k 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.60 183.60 . . 40 PHE . . . . . . . . . . . . . parsed_2e5k 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.86 -88.86 . . 41 ILE . . . . . . . . . . . . . parsed_2e5k 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.03 164.03 . . 41 ILE . . . . . . . . . . . . . parsed_2e5k 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142.00 -82.00 . . 42 PHE . . . . . . . . . . . . . parsed_2e5k 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.00 166.00 . . 42 PHE . . . . . . . . . . . . . parsed_2e5k 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.00 -99.00 . . 43 MET . . . . . . . . . . . . . parsed_2e5k 1
14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 160.00 . . 43 MET . . . . . . . . . . . . . parsed_2e5k 1
15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.00 -80.00 . . 55 TRP . . . . . . . . . . . . . parsed_2e5k 1
16 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.00 180.00 . . 55 TRP . . . . . . . . . . . . . parsed_2e5k 1
17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.13 -110.13 . . 56 ILE . . . . . . . . . . . . . parsed_2e5k 1
18 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.91 175.91 . . 56 ILE . . . . . . . . . . . . . parsed_2e5k 1
19 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.15 -69.15 . . 57 TYR . . . . . . . . . . . . . parsed_2e5k 1
20 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.94 158.94 . . 57 TYR . . . . . . . . . . . . . parsed_2e5k 1
21 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.00 -96.00 . . 59 THR . . . . . . . . . . . . . parsed_2e5k 1
22 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.00 168.00 . . 59 THR . . . . . . . . . . . . . parsed_2e5k 1
23 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.85 -87.85 . . 68 LEU . . . . . . . . . . . . . parsed_2e5k 1
24 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.25 170.25 . . 68 LEU . . . . . . . . . . . . . parsed_2e5k 1
25 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.00 -115.00 . . 69 LEU . . . . . . . . . . . . . parsed_2e5k 1
26 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.00 186.00 . . 69 LEU . . . . . . . . . . . . . parsed_2e5k 1
27 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.00 176.00 . . 70 PRO . . . . . . . . . . . . . parsed_2e5k 1
28 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 35 LEU . . . . . . . . . . . . . parsed_2e5k 1
29 CHI2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -200.0 . . 35 LEU . . . . . . . . . . . . . parsed_2e5k 1
30 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 19 LEU . . . . . . . . . . . . . parsed_2e5k 1
31 CHI2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 19 LEU . . . . . . . . . . . . . parsed_2e5k 1
32 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -200.0 . . 61 LEU . . . . . . . . . . . . . parsed_2e5k 1
33 CHI2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 61 LEU . . . . . . . . . . . . . parsed_2e5k 1
34 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 69 LEU . . . . . . . . . . . . . parsed_2e5k 1
35 CHI2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 69 LEU . . . . . . . . . . . . . parsed_2e5k 1
stop_
save_
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