NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | item_count |
|
|
36616 |
1ny4   |
5691 | cing | recoord | 2-parsed | STAR | dihedral angle | 39 |
data_1ny4_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1ny4
_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_1ny4 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1ny4
_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 1ny4 "Master copy" parsed_1ny4
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1ny4
_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 1ny4.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1ny4 1
1 1ny4.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1ny4 1
1 1ny4.mr . . DYANA/DIANA 3 distance NOE simple 1474 parsed_1ny4 1
1 1ny4.mr . . DYANA/DIANA 4 "dihedral angle" "Not applicable" "Not applicable" 60 parsed_1ny4 1
1 1ny4.mr . . DYANA/DIANA 5 "dihedral angle" "Not applicable" "Not applicable" 39 parsed_1ny4 1
1 1ny4.mr . . DYANA/DIANA 6 distance "hydrogen bond" simple 0 parsed_1ny4 1
1 1ny4.mr . . DYANA/DIANA 7 distance "hydrogen bond" simple 0 parsed_1ny4 1
1 1ny4.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_1ny4 1
1 1ny4.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1ny4 1
stop_
save_
save_DYANA/DIANA_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1ny4
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 5
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.77 -68.77 . . 7 TYR . . . . . . . . . . . . . parsed_1ny4 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 81.62 181.62 . . 7 TYR . . . . . . . . . . . . . parsed_1ny4 1
3 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 83.98 183.98 . . 8 PRO . . . . . . . . . . . . . parsed_1ny4 1
4 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -183.09 -103.09 . . 9 ALA . . . . . . . . . . . . . parsed_1ny4 1
5 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.55 196.55 . . 9 ALA . . . . . . . . . . . . . parsed_1ny4 1
6 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.72 -66.72 . . 10 GLU . . . . . . . . . . . . . parsed_1ny4 1
7 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 69.26 169.26 . . 10 GLU . . . . . . . . . . . . . parsed_1ny4 1
8 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -161.73 -81.73 . . 13 GLU . . . . . . . . . . . . . parsed_1ny4 1
9 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.77 180.77 . . 13 GLU . . . . . . . . . . . . . parsed_1ny4 1
10 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.32 -56.32 . . 14 ILE . . . . . . . . . . . . . parsed_1ny4 1
11 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 65.27 165.27 . . 14 ILE . . . . . . . . . . . . . parsed_1ny4 1
12 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.16 -61.16 . . 17 ARG . . . . . . . . . . . . . parsed_1ny4 1
13 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 83.98 183.98 . . 17 ARG . . . . . . . . . . . . . parsed_1ny4 1
14 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.91 -58.91 . . 21 THR . . . . . . . . . . . . . parsed_1ny4 1
15 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.41 57.59 . . 21 THR . . . . . . . . . . . . . parsed_1ny4 1
16 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.33 -71.33 . . 24 VAL . . . . . . . . . . . . . parsed_1ny4 1
17 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 72.72 172.72 . . 24 VAL . . . . . . . . . . . . . parsed_1ny4 1
18 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.98 -67.98 . . 25 THR . . . . . . . . . . . . . parsed_1ny4 1
19 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 74.84 174.84 . . 25 THR . . . . . . . . . . . . . parsed_1ny4 1
20 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.09 -56.09 . . 26 GLN . . . . . . . . . . . . . parsed_1ny4 1
21 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.33 186.33 . . 26 GLN . . . . . . . . . . . . . parsed_1ny4 1
22 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.35 -72.35 . . 28 LYS . . . . . . . . . . . . . parsed_1ny4 1
23 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 92.58 192.58 . . 28 LYS . . . . . . . . . . . . . parsed_1ny4 1
24 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.62 -70.62 . . 30 ARG . . . . . . . . . . . . . parsed_1ny4 1
25 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 76.17 176.17 . . 30 ARG . . . . . . . . . . . . . parsed_1ny4 1
26 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.83 -70.83 . . 40 VAL . . . . . . . . . . . . . parsed_1ny4 1
27 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 81.24 181.24 . . 40 VAL . . . . . . . . . . . . . parsed_1ny4 1
28 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.88 -64.88 . . 42 ARG . . . . . . . . . . . . . parsed_1ny4 1
29 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 82.05 182.05 . . 42 ARG . . . . . . . . . . . . . parsed_1ny4 1
30 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.75 -99.75 . . 43 ARG . . . . . . . . . . . . . parsed_1ny4 1
31 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.01 200.01 . . 43 ARG . . . . . . . . . . . . . parsed_1ny4 1
32 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.21 -64.21 . . 44 ASN . . . . . . . . . . . . . parsed_1ny4 1
33 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 75.01 175.01 . . 44 ASN . . . . . . . . . . . . . parsed_1ny4 1
34 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.15 -83.15 . . 45 VAL . . . . . . . . . . . . . parsed_1ny4 1
35 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.66 190.66 . . 45 VAL . . . . . . . . . . . . . parsed_1ny4 1
36 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.66 -57.66 . . 46 ARG . . . . . . . . . . . . . parsed_1ny4 1
37 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 82.85 182.85 . . 46 ARG . . . . . . . . . . . . . parsed_1ny4 1
38 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.79 -76.79 . . 50 ARG . . . . . . . . . . . . . parsed_1ny4 1
39 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 91.61 191.61 . . 50 ARG . . . . . . . . . . . . . parsed_1ny4 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 "Manual Input" 1 1 1 13 parsed_1ny4 1
2 "JR19 01-20-03" 2 1 2 16 parsed_1ny4 1
3 "Talos contraints =10 only" 3 1 3 27 parsed_1ny4 1
4 "phi +/- 40; psi +/- 50" 4 1 4 24 parsed_1ny4 1
5 "END Manual Input" 44 1 44 17 parsed_1ny4 1
stop_
save_
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