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 |
|
|
145061 |
2kee   |
16145 | cing | 2-parsed | STAR | dihedral angle | 50 |
data_2kee_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kee
_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_2kee 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kee
_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 2kee "Master copy" parsed_2kee
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kee
_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 2kee.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kee 1
1 2kee.mr . . DYANA/DIANA 2 "dihedral angle" "Not applicable" "Not applicable" 50 parsed_2kee 1
1 2kee.mr . . DYANA/DIANA 3 distance NOE simple 0 parsed_2kee 1
1 2kee.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kee 1
stop_
save_
save_DYANA/DIANA_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2kee
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.00 -79.00 . . 3 VAL . . . . . . . . . . . . . parsed_2kee 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.00 160.00 . . 3 VAL . . . . . . . . . . . . . parsed_2kee 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -121.30 -94.00 . . 14 PHE . . . . . . . . . . . . . parsed_2kee 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.80 146.20 . . 14 PHE . . . . . . . . . . . . . parsed_2kee 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.00 -95.00 . . 18 VAL . . . . . . . . . . . . . parsed_2kee 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.00 139.00 . . 18 VAL . . . . . . . . . . . . . parsed_2kee 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -116.00 -60.00 . . 19 ALA . . . . . . . . . . . . . parsed_2kee 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.00 173.00 . . 19 ALA . . . . . . . . . . . . . parsed_2kee 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -117.00 -81.00 . . 23 VAL . . . . . . . . . . . . . parsed_2kee 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.00 153.00 . . 23 VAL . . . . . . . . . . . . . parsed_2kee 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.00 -96.00 . . 25 HIS . . . . . . . . . . . . . parsed_2kee 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 129.00 149.00 . . 25 HIS . . . . . . . . . . . . . parsed_2kee 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.00 -89.00 . . 26 LEU . . . . . . . . . . . . . parsed_2kee 1
14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.00 142.00 . . 26 LEU . . . . . . . . . . . . . parsed_2kee 1
15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -111.00 -91.00 . . 28 ILE . . . . . . . . . . . . . parsed_2kee 1
16 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.00 137.00 . . 28 ILE . . . . . . . . . . . . . parsed_2kee 1
17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -117.00 -85.00 . . 29 LEU . . . . . . . . . . . . . parsed_2kee 1
18 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.00 144.00 . . 29 LEU . . . . . . . . . . . . . parsed_2kee 1
19 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -128.00 -86.00 . . 30 ASN . . . . . . . . . . . . . parsed_2kee 1
20 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.00 146.00 . . 30 ASN . . . . . . . . . . . . . parsed_2kee 1
21 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.00 -97.00 . . 38 ILE . . . . . . . . . . . . . parsed_2kee 1
22 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.00 143.00 . . 38 ILE . . . . . . . . . . . . . parsed_2kee 1
23 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -100.00 . . 39 VAL . . . . . . . . . . . . . parsed_2kee 1
24 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 129.00 149.00 . . 39 VAL . . . . . . . . . . . . . parsed_2kee 1
25 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.00 -109.00 . . 40 ALA . . . . . . . . . . . . . parsed_2kee 1
26 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.00 171.00 . . 40 ALA . . . . . . . . . . . . . parsed_2kee 1
27 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113.00 -93.00 . . 41 ARG . . . . . . . . . . . . . parsed_2kee 1
28 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.00 132.00 . . 41 ARG . . . . . . . . . . . . . parsed_2kee 1
29 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.00 -55.00 . . 43 LYS . . . . . . . . . . . . . parsed_2kee 1
30 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.00 -9.00 . . 43 LYS . . . . . . . . . . . . . parsed_2kee 1
31 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.00 -51.00 . . 44 ASN . . . . . . . . . . . . . parsed_2kee 1
32 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.00 -12.00 . . 44 ASN . . . . . . . . . . . . . parsed_2kee 1
33 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.00 -89.00 . . 45 ASN . . . . . . . . . . . . . parsed_2kee 1
34 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -29.00 13.00 . . 45 ASN . . . . . . . . . . . . . parsed_2kee 1
35 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -123.00 -87.00 . . 51 ILE . . . . . . . . . . . . . parsed_2kee 1
36 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.00 167.00 . . 51 ILE . . . . . . . . . . . . . parsed_2kee 1
37 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.00 -54.00 . . 56 LYS . . . . . . . . . . . . . parsed_2kee 1
38 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.00 -27.00 . . 56 LYS . . . . . . . . . . . . . parsed_2kee 1
39 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.00 -61.00 . . 57 TRP . . . . . . . . . . . . . parsed_2kee 1
40 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -43.00 5.00 . . 57 TRP . . . . . . . . . . . . . parsed_2kee 1
41 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -58.00 . . 58 ILE . . . . . . . . . . . . . parsed_2kee 1
42 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.00 -26.00 . . 58 ILE . . . . . . . . . . . . . parsed_2kee 1
43 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.00 -51.00 . . 59 GLN . . . . . . . . . . . . . parsed_2kee 1
44 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.00 -29.00 . . 59 GLN . . . . . . . . . . . . . parsed_2kee 1
45 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.00 -56.00 . . 60 GLU . . . . . . . . . . . . . parsed_2kee 1
46 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.00 -34.00 . . 60 GLU . . . . . . . . . . . . . parsed_2kee 1
47 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.00 -55.00 . . 61 TYR . . . . . . . . . . . . . parsed_2kee 1
48 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.00 -31.00 . . 61 TYR . . . . . . . . . . . . . parsed_2kee 1
49 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.40 -51.40 . . 62 LEU . . . . . . . . . . . . . parsed_2kee 1
50 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.40 -33.30 . . 62 LEU . . . . . . . . . . . . . parsed_2kee 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 constraints" 1 1 1 27 parsed_2kee 1
stop_
save_
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