Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
600212 | 2n1n RC | 25568 | cing | 2-parsed | STAR | dihedral angle | 54 |
data_2n1n_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2n1n
_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_2n1n 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2n1n
_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 2n1n "Master copy" parsed_2n1n
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2n1n
_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 2n1n.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2n1n 1
1 2n1n.mr . . XEASY 2 peak "Not applicable" "Not applicable" 0 parsed_2n1n 1
1 2n1n.mr . . DYANA/DIANA 3 distance "hydrogen bond" simple 28 parsed_2n1n 1
1 2n1n.mr . . DYANA/DIANA 4 distance "general distance" simple 18 parsed_2n1n 1
1 2n1n.mr . . DYANA/DIANA 5 "dihedral angle" "Not applicable" "Not applicable" 54 parsed_2n1n 1
1 2n1n.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2n1n 1
stop_
save_
save_DYANA/DIANA_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2n1n
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.2 -130.2 . . 3 CYS . . . . . . . . . . . . . parsed_2n1n 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 142.9 182.9 . . 3 CYS . . . . . . . . . . . . . parsed_2n1n 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.7 -49.2 . . 5 LYS . . . . . . . . . . . . . parsed_2n1n 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.1 168.1 . . 5 LYS . . . . . . . . . . . . . parsed_2n1n 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.1 -129.1 . . 10 CYS . . . . . . . . . . . . . parsed_2n1n 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.4 180.4 . . 10 CYS . . . . . . . . . . . . . parsed_2n1n 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -177.2 -113.7 . . 12 ASN . . . . . . . . . . . . . parsed_2n1n 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 136.3 179.7 . . 12 ASN . . . . . . . . . . . . . parsed_2n1n 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.9 -41.9 . . 13 SER . . . . . . . . . . . . . parsed_2n1n 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.5 -9.5 . . 13 SER . . . . . . . . . . . . . parsed_2n1n 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.1 -51.1 . . 14 ASN . . . . . . . . . . . . . parsed_2n1n 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.3 7.7 . . 14 ASN . . . . . . . . . . . . . parsed_2n1n 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.0 -67.0 . . 15 ASP . . . . . . . . . . . . . parsed_2n1n 1
14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.7 11.3 . . 15 ASP . . . . . . . . . . . . . parsed_2n1n 1
15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.0 -61.3 . . 16 CYS . . . . . . . . . . . . . parsed_2n1n 1
16 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.1 169.3 . . 16 CYS . . . . . . . . . . . . . parsed_2n1n 1
17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 44.9 84.9 . . 19 ASP . . . . . . . . . . . . . parsed_2n1n 1
18 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1.4 43.5 . . 19 ASP . . . . . . . . . . . . . parsed_2n1n 1
19 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.3 -88.6 . . 20 LEU . . . . . . . . . . . . . parsed_2n1n 1
20 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.7 162.1 . . 20 LEU . . . . . . . . . . . . . parsed_2n1n 1
21 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.4 -105.9 . . 21 VAL . . . . . . . . . . . . . parsed_2n1n 1
22 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 128.6 174.0 . . 21 VAL . . . . . . . . . . . . . parsed_2n1n 1
23 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.6 -58.0 . . 22 CYS . . . . . . . . . . . . . parsed_2n1n 1
24 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.0 146.0 . . 22 CYS . . . . . . . . . . . . . parsed_2n1n 1
25 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.4 -54.5 . . 23 SER . . . . . . . . . . . . . parsed_2n1n 1
26 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 93.4 133.4 . . 23 SER . . . . . . . . . . . . . parsed_2n1n 1
27 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.7 -48.7 . . 24 SER . . . . . . . . . . . . . parsed_2n1n 1
28 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.0 -8.0 . . 24 SER . . . . . . . . . . . . . parsed_2n1n 1
29 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.9 -46.9 . . 25 ARG . . . . . . . . . . . . . parsed_2n1n 1
30 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.6 -17.6 . . 25 ARG . . . . . . . . . . . . . parsed_2n1n 1
31 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.4 74.4 . . 27 LYS . . . . . . . . . . . . . parsed_2n1n 1
32 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.7 65.7 . . 27 LYS . . . . . . . . . . . . . parsed_2n1n 1
33 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.0 -63.0 . . 28 TRP . . . . . . . . . . . . . parsed_2n1n 1
34 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.8 176.7 . . 28 TRP . . . . . . . . . . . . . parsed_2n1n 1
35 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.5 -56.6 . . 29 CYS . . . . . . . . . . . . . parsed_2n1n 1
36 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.9 158.9 . . 29 CYS . . . . . . . . . . . . . parsed_2n1n 1
37 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.5 -114.2 . . 30 VAL . . . . . . . . . . . . . parsed_2n1n 1
38 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 136.0 179.4 . . 30 VAL . . . . . . . . . . . . . parsed_2n1n 1
39 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.3 -42.2 . . 33 SER . . . . . . . . . . . . . parsed_2n1n 1
40 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.7 163.2 . . 33 SER . . . . . . . . . . . . . parsed_2n1n 1
41 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.3 -27.1 . . 2 GLU . . . . . . . . . . . . . parsed_2n1n 1
42 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.5 174.1 . . 2 GLU . . . . . . . . . . . . . parsed_2n1n 1
43 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.0 -48.0 . . 6 PHE . . . . . . . . . . . . . parsed_2n1n 1
44 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.8 161.5 . . 6 PHE . . . . . . . . . . . . . parsed_2n1n 1
45 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -50.0 . . 7 MET . . . . . . . . . . . . . parsed_2n1n 1
46 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.4 -13.4 . . 7 MET . . . . . . . . . . . . . parsed_2n1n 1
47 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.2 -29.2 . . 17 CYS . . . . . . . . . . . . . parsed_2n1n 1
48 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.0 187.1 . . 17 CYS . . . . . . . . . . . . . parsed_2n1n 1
49 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.4 -76.1 . . 26 TRP . . . . . . . . . . . . . parsed_2n1n 1
50 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -19.5 21.9 . . 26 TRP . . . . . . . . . . . . . parsed_2n1n 1
51 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.5 -53.5 . . 31 LEU . . . . . . . . . . . . . parsed_2n1n 1
52 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.3 158.0 . . 31 LEU . . . . . . . . . . . . . parsed_2n1n 1
53 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.8 -46.8 . . 32 ALA . . . . . . . . . . . . . parsed_2n1n 1
54 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.5 168.2 . . 32 ALA . . . . . . . . . . . . . parsed_2n1n 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 "REMARK error margins are set to conservative default values of double the standard deviation" 1 1 1 96 parsed_2n1n 1
2 "observed in TALOS-N capped at a minimum of +/-20 degree." 2 1 2 66 parsed_2n1n 1
3 "Phi/Psi Angles From 'Strong' Predictions" 4 1 4 43 parsed_2n1n 1
4 "Phi/Psi Angles From 'Generous' Predictions" 46 1 46 45 parsed_2n1n 1
stop_
save_