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 |
|
|
586259 |
2mia   |
18999 | cing | 2-parsed | STAR | dihedral angle | 50 |
data_2mia_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mia
_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_2mia 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mia
_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 2mia "Master copy" parsed_2mia
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mia
_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 2mia.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mia 1
1 2mia.mr . . XEASY 2 peak "Not applicable" "Not applicable" 0 parsed_2mia 1
1 2mia.mr . . DYANA/DIANA 3 "dihedral angle" "Not applicable" "Not applicable" 50 parsed_2mia 1
1 2mia.mr . . DYANA/DIANA 4 distance NOE simple 0 parsed_2mia 1
1 2mia.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mia 1
stop_
save_
save_DYANA/DIANA_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2mia
_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 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.0 70.0 . . 1 CYSS . . . . . . . . . . . . . parsed_2mia 1
2 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 45.0 75.0 . . 2 ILE . . . . . . . . . . . . . parsed_2mia 1
3 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.0 130.0 . . 2 ILE . . . . . . . . . . . . . parsed_2mia 1
4 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -60.0 . . 3 ALA . . . . . . . . . . . . . parsed_2mia 1
5 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 160.0 . . 3 ALA . . . . . . . . . . . . . parsed_2mia 1
6 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -40.0 . . 4 HIS+ . . . . . . . . . . . . . parsed_2mia 1
7 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 120.0 . . 4 HIS+ . . . . . . . . . . . . . parsed_2mia 1
8 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 60.0 . . 5 TYR . . . . . . . . . . . . . parsed_2mia 1
9 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.0 35.0 . . 5 TYR . . . . . . . . . . . . . parsed_2mia 1
10 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -80.0 . . 6 GLY . . . . . . . . . . . . . parsed_2mia 1
11 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 170.0 . . 6 GLY . . . . . . . . . . . . . parsed_2mia 1
12 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -50.0 . . 7 LYS+ . . . . . . . . . . . . . parsed_2mia 1
13 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 150.0 . . 7 LYS+ . . . . . . . . . . . . . parsed_2mia 1
14 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -120.0 . . 8 CYSS . . . . . . . . . . . . . parsed_2mia 1
15 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 170.0 . . 8 CYSS . . . . . . . . . . . . . parsed_2mia 1
16 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -60.0 . . 9 ASP . . . . . . . . . . . . . parsed_2mia 1
17 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.0 -15.0 . . 9 ASP . . . . . . . . . . . . . parsed_2mia 1
18 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 120.0 . . 10 GLY . . . . . . . . . . . . . parsed_2mia 1
19 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -70.0 . . 10 GLY . . . . . . . . . . . . . parsed_2mia 1
20 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -60.0 . . 11 ILE . . . . . . . . . . . . . parsed_2mia 1
21 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.0 -15.0 . . 11 ILE . . . . . . . . . . . . . parsed_2mia 1
22 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -90.0 . . 12 ILE . . . . . . . . . . . . . parsed_2mia 1
23 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.0 100.0 . . 12 ILE . . . . . . . . . . . . . parsed_2mia 1
24 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -80.0 . . 13 ASN . . . . . . . . . . . . . parsed_2mia 1
25 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.0 30.0 . . 13 ASN . . . . . . . . . . . . . parsed_2mia 1
26 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -60.0 . . 14 GLN . . . . . . . . . . . . . parsed_2mia 1
27 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 90.0 . . 14 GLN . . . . . . . . . . . . . parsed_2mia 1
28 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -90.0 . . 15 CYSS . . . . . . . . . . . . . parsed_2mia 1
29 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 125.0 . . 15 CYSS . . . . . . . . . . . . . parsed_2mia 1
30 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 -35.0 . . 16 CYSS . . . . . . . . . . . . . parsed_2mia 1
31 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -65.0 . . 16 CYSS . . . . . . . . . . . . . parsed_2mia 1
32 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 -115.0 . . 17 ASP . . . . . . . . . . . . . parsed_2mia 1
33 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 170.0 . . 17 ASP . . . . . . . . . . . . . parsed_2mia 1
34 OMEGA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.0 10.0 . . 18 PRO . . . . . . . . . . . . . parsed_2mia 1
35 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.0 -45.0 . . 18 PRO . . . . . . . . . . . . . parsed_2mia 1
36 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.0 -110.0 . . 19 TRP . . . . . . . . . . . . . parsed_2mia 1
37 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.0 -95.0 . . 19 TRP . . . . . . . . . . . . . parsed_2mia 1
38 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.0 -110.0 . . 20 LEU . . . . . . . . . . . . . parsed_2mia 1
39 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 160.0 . . 20 LEU . . . . . . . . . . . . . parsed_2mia 1
40 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -80.0 . . 21 CYSS . . . . . . . . . . . . . parsed_2mia 1
41 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 125.0 . . 21 CYSS . . . . . . . . . . . . . parsed_2mia 1
42 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -140.0 . . 22 THR . . . . . . . . . . . . . parsed_2mia 1
43 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 145.0 165.0 . . 22 THR . . . . . . . . . . . . . parsed_2mia 1
44 OMEGA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.0 10.0 . . 23 PRO . . . . . . . . . . . . . parsed_2mia 1
45 OMEGA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 180.0 . . 24 PRO . . . . . . . . . . . . . parsed_2mia 1
46 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.0 -110.0 . . 28 PHE . . . . . . . . . . . . . parsed_2mia 1
47 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.0 135.0 . . 28 PHE . . . . . . . . . . . . . parsed_2mia 1
48 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -80.0 . . 29 CYSS . . . . . . . . . . . . . parsed_2mia 1
49 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 150.0 . . 29 CYSS . . . . . . . . . . . . . parsed_2mia 1
50 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -140.0 . . 30 LEU . . . . . . . . . . . . . parsed_2mia 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 "ILE QD1 13 ASN H 5.50 #peak 2 #SUP 0.91 #QF 0.91" 50 41 50 118 parsed_2mia 1
stop_
save_
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