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 |
|
|
500872 |
2rrh   |
11419 | cing | 2-parsed | STAR | dihedral angle | 46 |
data_2rrh_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2rrh
_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_2rrh 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2rrh
_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 2rrh "Master copy" parsed_2rrh
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2rrh
_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 2rrh.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2rrh 1
1 2rrh.mr . . DYANA/DIANA 2 distance NOE simple 395 parsed_2rrh 1
1 2rrh.mr . . DYANA/DIANA 3 "dihedral angle" "Not applicable" "Not applicable" 46 parsed_2rrh 1
1 2rrh.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2rrh 1
stop_
save_
save_DYANA/DIANA_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2rrh
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.79 -48.67 . . 4 ALA . . . . . . . . . . . . . parsed_2rrh 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.09 -36.19 . . 4 ALA . . . . . . . . . . . . . parsed_2rrh 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.78 -54.82 . . 5 VAL . . . . . . . . . . . . . parsed_2rrh 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.76 -38.52 . . 5 VAL . . . . . . . . . . . . . parsed_2rrh 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.69 -60.23 . . 6 PHE . . . . . . . . . . . . . parsed_2rrh 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.54 -40.82 . . 6 PHE . . . . . . . . . . . . . parsed_2rrh 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.66 -52.84 . . 7 THR . . . . . . . . . . . . . parsed_2rrh 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.77 -38.37 . . 7 THR . . . . . . . . . . . . . parsed_2rrh 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.20 -55.78 . . 8 ASP . . . . . . . . . . . . . parsed_2rrh 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.53 -35.63 . . 8 ASP . . . . . . . . . . . . . parsed_2rrh 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.19 -51.07 . . 9 ASN . . . . . . . . . . . . . parsed_2rrh 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.13 -27.71 . . 9 ASN . . . . . . . . . . . . . parsed_2rrh 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.05 -60.59 . . 10 TYR . . . . . . . . . . . . . parsed_2rrh 1
14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.62 -34.04 . . 10 TYR . . . . . . . . . . . . . parsed_2rrh 1
15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.53 -57.99 . . 11 THR . . . . . . . . . . . . . parsed_2rrh 1
16 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.28 -40.56 . . 11 THR . . . . . . . . . . . . . parsed_2rrh 1
17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.91 -59.75 . . 12 ARG . . . . . . . . . . . . . parsed_2rrh 1
18 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.62 -33.30 . . 12 ARG . . . . . . . . . . . . . parsed_2rrh 1
19 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.39 -56.10 . . 13 LEU . . . . . . . . . . . . . parsed_2rrh 1
20 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.92 -36.60 . . 13 LEU . . . . . . . . . . . . . parsed_2rrh 1
21 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.25 -59.15 . . 14 ARG . . . . . . . . . . . . . parsed_2rrh 1
22 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.31 -36.91 . . 14 ARG . . . . . . . . . . . . . parsed_2rrh 1
23 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.78 -56.06 . . 15 LYS . . . . . . . . . . . . . parsed_2rrh 1
24 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.53 -36.59 . . 15 LYS . . . . . . . . . . . . . parsed_2rrh 1
25 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.43 -59.55 . . 16 GLN . . . . . . . . . . . . . parsed_2rrh 1
26 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.04 -35.96 . . 16 GLN . . . . . . . . . . . . . parsed_2rrh 1
27 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.38 -56.26 . . 17 MET . . . . . . . . . . . . . parsed_2rrh 1
28 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.31 -32.59 . . 17 MET . . . . . . . . . . . . . parsed_2rrh 1
29 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.27 -60.45 . . 18 ALA . . . . . . . . . . . . . parsed_2rrh 1
30 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.33 -26.53 . . 18 ALA . . . . . . . . . . . . . parsed_2rrh 1
31 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.93 -61.99 . . 19 VAL . . . . . . . . . . . . . parsed_2rrh 1
32 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.41 -38.41 . . 19 VAL . . . . . . . . . . . . . parsed_2rrh 1
33 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.63 -56.99 . . 20 LYS . . . . . . . . . . . . . parsed_2rrh 1
34 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.73 -35.91 . . 20 LYS . . . . . . . . . . . . . parsed_2rrh 1
35 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.46 -56.54 . . 21 LYS . . . . . . . . . . . . . parsed_2rrh 1
36 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.40 -36.24 . . 21 LYS . . . . . . . . . . . . . parsed_2rrh 1
37 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.97 -60.59 . . 22 TYR . . . . . . . . . . . . . parsed_2rrh 1
38 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.67 -34.81 . . 22 TYR . . . . . . . . . . . . . parsed_2rrh 1
39 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.46 -56.74 . . 23 LEU . . . . . . . . . . . . . parsed_2rrh 1
40 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.70 -31.14 . . 23 LEU . . . . . . . . . . . . . parsed_2rrh 1
41 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.56 -61.20 . . 24 ASN . . . . . . . . . . . . . parsed_2rrh 1
42 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.69 -35.53 . . 24 ASN . . . . . . . . . . . . . parsed_2rrh 1
43 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.82 -53.78 . . 25 SER . . . . . . . . . . . . . parsed_2rrh 1
44 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.28 -24.10 . . 25 SER . . . . . . . . . . . . . parsed_2rrh 1
45 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.48 -61.58 . . 27 LEU . . . . . . . . . . . . . parsed_2rrh 1
46 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.23 -19.81 . . 27 LEU . . . . . . . . . . . . . parsed_2rrh 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 "column 1: residue number" 1 1 1 26 parsed_2rrh 1
2 "column 2: amino acid" 2 1 2 22 parsed_2rrh 1
3 "column 3: angle identifier" 3 1 3 28 parsed_2rrh 1
4 "column 4: the angle's lower limit" 4 1 4 35 parsed_2rrh 1
5 "column 5: the angle's upper limit" 5 1 5 35 parsed_2rrh 1
stop_
save_
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