NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
54437 |
2yuy   |
cing | 2-parsed | STAR | dihedral angle | 46 |
data_2yuy_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2yuy
_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_2yuy 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2yuy
_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 2yuy "Master copy" parsed_2yuy
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2yuy
_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 2yuy.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2yuy 1
1 2yuy.mr . . DYANA/DIANA 2 distance NOE simple 1253 parsed_2yuy 1
1 2yuy.mr . . DYANA/DIANA 3 "dihedral angle" "Not applicable" "Not applicable" 46 parsed_2yuy 1
1 2yuy.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2yuy 1
stop_
save_
save_DYANA/DIANA_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2yuy
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.0 -86.0 . . 10 LYS+ . . . . . . . . . . . . . parsed_2yuy 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.0 161.0 . . 10 LYS+ . . . . . . . . . . . . . parsed_2yuy 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 -75.0 . . 11 THR . . . . . . . . . . . . . parsed_2yuy 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 160.0 . . 11 THR . . . . . . . . . . . . . parsed_2yuy 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.0 -92.0 . . 12 VAL . . . . . . . . . . . . . parsed_2yuy 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.0 167.0 . . 12 VAL . . . . . . . . . . . . . parsed_2yuy 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.0 -77.0 . . 13 THR . . . . . . . . . . . . . parsed_2yuy 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.0 164.0 . . 13 THR . . . . . . . . . . . . . parsed_2yuy 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.0 -92.0 . . 14 LEU . . . . . . . . . . . . . parsed_2yuy 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.0 172.0 . . 14 LEU . . . . . . . . . . . . . parsed_2yuy 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.0 -98.0 . . 15 LYS+ . . . . . . . . . . . . . parsed_2yuy 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.0 174.0 . . 15 LYS+ . . . . . . . . . . . . . parsed_2yuy 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.0 -98.0 . . 24 THR . . . . . . . . . . . . . parsed_2yuy 1
14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.0 179.0 . . 24 THR . . . . . . . . . . . . . parsed_2yuy 1
15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168.0 -108.0 . . 25 LEU . . . . . . . . . . . . . parsed_2yuy 1
16 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.0 179.0 . . 25 LEU . . . . . . . . . . . . . parsed_2yuy 1
17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -173.0 -113.0 . . 26 ARG+ . . . . . . . . . . . . . parsed_2yuy 1
18 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.0 176.0 . . 26 ARG+ . . . . . . . . . . . . . parsed_2yuy 1
19 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.0 -8.0 . . 73 PRO . . . . . . . . . . . . . parsed_2yuy 1
20 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.0 -34.0 . . 74 ALA . . . . . . . . . . . . . parsed_2yuy 1
21 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -15.0 . . 74 ALA . . . . . . . . . . . . . parsed_2yuy 1
22 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.0 -34.0 . . 75 PHE . . . . . . . . . . . . . parsed_2yuy 1
23 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.0 -13.0 . . 75 PHE . . . . . . . . . . . . . parsed_2yuy 1
24 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.0 -32.0 . . 76 GLU- . . . . . . . . . . . . . parsed_2yuy 1
25 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 76 GLU- . . . . . . . . . . . . . parsed_2yuy 1
26 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.0 -38.0 . . 77 ALA . . . . . . . . . . . . . parsed_2yuy 1
27 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.0 2.0 . . 77 ALA . . . . . . . . . . . . . parsed_2yuy 1
28 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.0 -104.0 . . 81 THR . . . . . . . . . . . . . parsed_2yuy 1
29 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 131.0 191.0 . . 81 THR . . . . . . . . . . . . . parsed_2yuy 1
30 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154.0 -94.0 . . 84 ARG+ . . . . . . . . . . . . . parsed_2yuy 1
31 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.0 170.0 . . 84 ARG+ . . . . . . . . . . . . . parsed_2yuy 1
32 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.0 -83.0 . . 85 ILE . . . . . . . . . . . . . parsed_2yuy 1
33 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97.0 157.0 . . 85 ILE . . . . . . . . . . . . . parsed_2yuy 1
34 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.0 -102.0 . . 87 LYS+ . . . . . . . . . . . . . parsed_2yuy 1
35 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.0 166.0 . . 87 LYS+ . . . . . . . . . . . . . parsed_2yuy 1
36 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.0 -47.0 . . 101 VAL . . . . . . . . . . . . . parsed_2yuy 1
37 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 0.0 . . 101 VAL . . . . . . . . . . . . . parsed_2yuy 1
38 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.0 -46.0 . . 104 LEU . . . . . . . . . . . . . parsed_2yuy 1
39 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.0 11.0 . . 104 LEU . . . . . . . . . . . . . parsed_2yuy 1
40 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -45.0 . . 105 ILE . . . . . . . . . . . . . parsed_2yuy 1
41 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.0 7.0 . . 105 ILE . . . . . . . . . . . . . parsed_2yuy 1
42 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.0 -36.0 . . 108 SER . . . . . . . . . . . . . parsed_2yuy 1
43 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 0.0 . . 108 SER . . . . . . . . . . . . . parsed_2yuy 1
44 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 110 THR . . . . . . . . . . . . . parsed_2yuy 1
45 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.0 -1.0 . . 110 THR . . . . . . . . . . . . . parsed_2yuy 1
46 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -45.0 . . 114 LEU . . . . . . . . . . . . . parsed_2yuy 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 "23 PHE PHI -181.0 -121.0" 13 3 13 28 parsed_2yuy 1
2 "23 PHE PSI 132.0 192.0" 14 3 14 26 parsed_2yuy 1
3 "28 PHE PHI -166.0 -106.0" 21 3 21 28 parsed_2yuy 1
4 "28 PHE PSI 100.0 160.0" 22 3 22 26 parsed_2yuy 1
5 "29 ILE PHI -155.0 -95.0" 23 3 23 27 parsed_2yuy 1
6 "29 ILE PSI 92.0 152.0" 24 3 24 26 parsed_2yuy 1
7 "30 VAL PHI -135.0 -75.0" 25 3 25 27 parsed_2yuy 1
8 "30 VAL PSI 94.0 154.0" 26 3 26 26 parsed_2yuy 1
9 "31 TYR PHI -131.0 -71.0" 27 3 27 27 parsed_2yuy 1
10 "31 TYR PSI 83.0 143.0" 28 3 28 26 parsed_2yuy 1
11 "61 ASP- PHI -123.0 -63.0" 29 3 29 27 parsed_2yuy 1
12 "61 ASP- PSI 103.0 163.0" 30 3 30 26 parsed_2yuy 1
13 "64 PHE PHI -93.0 -33.0" 31 3 31 26 parsed_2yuy 1
14 "64 PHE PSI -50.0 10.0" 32 3 32 26 parsed_2yuy 1
15 "65 VAL PHI -122.0 -62.0" 33 3 33 27 parsed_2yuy 1
16 "65 VAL PSI -37.0 23.0" 34 3 34 26 parsed_2yuy 1
17 "67 GLN PHI -88.0 -28.0" 35 3 35 26 parsed_2yuy 1
18 "67 GLN PSI 109.0 169.0" 36 3 36 26 parsed_2yuy 1
19 "68 VAL PHI -85.0 -25.0" 37 3 37 26 parsed_2yuy 1
20 "68 VAL PSI -77.0 -17.0" 38 3 38 26 parsed_2yuy 1
21 "69 LYS+ PHI -95.0 -35.0" 39 3 39 26 parsed_2yuy 1
22 "69 LYS+ PSI -69.0 -9.0" 40 3 40 26 parsed_2yuy 1
23 "70 GLU- PHI -95.0 -35.0" 41 3 41 26 parsed_2yuy 1
24 "70 GLU- PSI -68.0 -8.0" 42 3 42 26 parsed_2yuy 1
25 "71 GLY PHI -95.0 -35.0" 43 3 43 26 parsed_2yuy 1
26 "71 GLY PSI -75.0 -15.0" 44 3 44 26 parsed_2yuy 1
27 "72 GLY PHI -92.0 -32.0" 45 3 45 26 parsed_2yuy 1
28 "72 GLY PSI -74.0 -14.0" 46 3 46 26 parsed_2yuy 1
29 "73 PRO PHI -91.0 -31.0" 47 3 47 26 parsed_2yuy 1
30 "82 GLY PHI -160.0 -100.0" 59 3 59 28 parsed_2yuy 1
31 "82 GLY PSI 104.0 164.0" 60 3 60 26 parsed_2yuy 1
32 "83 ASP- PHI -138.0 -78.0" 61 3 61 27 parsed_2yuy 1
33 "83 ASP- PSI 99.0 159.0" 62 3 62 26 parsed_2yuy 1
34 "86 ILE PHI -162.0 -102.0" 67 3 67 28 parsed_2yuy 1
35 "86 ILE PSI 119.0 179.0" 68 3 68 26 parsed_2yuy 1
36 "95 GLY PHI -130.0 -70.0" 71 3 71 27 parsed_2yuy 1
37 "95 GLY PSI 124.0 184.0" 72 3 72 26 parsed_2yuy 1
38 "119 LYS+ PHI -120.0 -60.0" 83 2 83 27 parsed_2yuy 1
39 "119 LYS+ PSI 107.0 167.0" 84 2 84 26 parsed_2yuy 1
stop_
save_
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