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 |
|
|
620300 |
5t3m   |
30160 | cing | 2-parsed | STAR | dihedral angle | 46 |
data_5t3m_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5t3m
_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_5t3m 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5t3m
_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 5t3m "Master copy" parsed_5t3m
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5t3m
_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 5t3m.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5t3m 1
1 5t3m.mr . . DYANA/DIANA 2 "dihedral angle" "Not applicable" "Not applicable" 46 parsed_5t3m 1
1 5t3m.mr . . DYANA/DIANA 3 distance "general distance" simple 0 parsed_5t3m 1
1 5t3m.mr . . DYANA/DIANA 4 distance NOE simple 0 parsed_5t3m 1
1 5t3m.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5t3m 1
stop_
save_
save_DYANA/DIANA_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5t3m
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -173.0 -78.9 . . 2 CYSS . . . . . . . . . . . . . parsed_5t3m 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 129.5 169.5 . . 2 CYSS . . . . . . . . . . . . . parsed_5t3m 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154.3 -91.1 . . 3 LEU . . . . . . . . . . . . . parsed_5t3m 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.5 164.4 . . 3 LEU . . . . . . . . . . . . . parsed_5t3m 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.7 -48.2 . . 4 GLY . . . . . . . . . . . . . parsed_5t3m 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 136.0 192.9 . . 4 GLY . . . . . . . . . . . . . parsed_5t3m 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -103.8 -45.1 . . 8 ALA . . . . . . . . . . . . . parsed_5t3m 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.2 168.1 . . 8 ALA . . . . . . . . . . . . . parsed_5t3m 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -176.5 -99.6 . . 9 CYSS . . . . . . . . . . . . . parsed_5t3m 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 128.6 181.7 . . 9 CYSS . . . . . . . . . . . . . parsed_5t3m 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.3 -69.1 . . 10 ASN . . . . . . . . . . . . . parsed_5t3m 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94.1 170.8 . . 10 ASN . . . . . . . . . . . . . parsed_5t3m 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.1 -64.1 . . 12 SER . . . . . . . . . . . . . parsed_5t3m 1
14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -29.9 10.1 . . 12 SER . . . . . . . . . . . . . parsed_5t3m 1
15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.2 -40.2 . . 18 LYS . . . . . . . . . . . . . parsed_5t3m 1
16 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.5 -18.5 . . 18 LYS . . . . . . . . . . . . . parsed_5t3m 1
17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.8 -43.8 . . 19 SER . . . . . . . . . . . . . parsed_5t3m 1
18 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.2 -5.2 . . 19 SER . . . . . . . . . . . . . parsed_5t3m 1
19 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.7 -83.6 . . 20 SER . . . . . . . . . . . . . parsed_5t3m 1
20 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -18.2 21.8 . . 20 SER . . . . . . . . . . . . . parsed_5t3m 1
21 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 37.7 77.7 . . 21 LYS . . . . . . . . . . . . . parsed_5t3m 1
22 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19.5 59.5 . . 21 LYS . . . . . . . . . . . . . parsed_5t3m 1
23 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.7 -84.7 . . 22 LEU . . . . . . . . . . . . . parsed_5t3m 1
24 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.7 180.1 . . 22 LEU . . . . . . . . . . . . . parsed_5t3m 1
25 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.0 -91.0 . . 23 VAL . . . . . . . . . . . . . parsed_5t3m 1
26 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.2 167.5 . . 23 VAL . . . . . . . . . . . . . parsed_5t3m 1
27 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.7 -51.6 . . 24 CYSS . . . . . . . . . . . . . parsed_5t3m 1
28 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.9 162.1 . . 24 CYSS . . . . . . . . . . . . . parsed_5t3m 1
29 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.7 -52.3 . . 25 SER . . . . . . . . . . . . . parsed_5t3m 1
30 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 91.0 148.3 . . 25 SER . . . . . . . . . . . . . parsed_5t3m 1
31 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.5 -47.5 . . 26 ARG . . . . . . . . . . . . . parsed_5t3m 1
32 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.5 -9.5 . . 26 ARG . . . . . . . . . . . . . parsed_5t3m 1
33 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.1 -50.1 . . 27 LYS . . . . . . . . . . . . . parsed_5t3m 1
34 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.4 -17.4 . . 27 LYS . . . . . . . . . . . . . parsed_5t3m 1
35 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.7 -84.8 . . 28 THR . . . . . . . . . . . . . parsed_5t3m 1
36 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -26.3 13.7 . . 28 THR . . . . . . . . . . . . . parsed_5t3m 1
37 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 38.5 78.5 . . 29 ARG . . . . . . . . . . . . . parsed_5t3m 1
38 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.3 60.3 . . 29 ARG . . . . . . . . . . . . . parsed_5t3m 1
39 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.6 -51.2 . . 31 CYSS . . . . . . . . . . . . . parsed_5t3m 1
40 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.4 156.1 . . 31 CYSS . . . . . . . . . . . . . parsed_5t3m 1
41 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.5 -103.8 . . 32 LYS . . . . . . . . . . . . . parsed_5t3m 1
42 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 131.2 172.1 . . 32 LYS . . . . . . . . . . . . . parsed_5t3m 1
43 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.4 -52.7 . . 33 TRP . . . . . . . . . . . . . parsed_5t3m 1
44 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.5 150.5 . . 33 TRP . . . . . . . . . . . . . parsed_5t3m 1
45 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.8 -47.3 . . 34 GLN . . . . . . . . . . . . . parsed_5t3m 1
46 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.4 149.8 . . 34 GLN . . . . . . . . . . . . . parsed_5t3m 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 "Restraints file 1: ohwtx_mm.aco" 1 1 1 33 parsed_5t3m 1
2 "REMARK error margins are set to conservative default values of double the standard deviation ALSO FOR CHI1 ANGLES" 2 1 2 117 parsed_5t3m 1
3 "observed in TALOS-N capped at a minimum of +/-20 degree." 3 1 3 66 parsed_5t3m 1
4 "Phi/Psi Angles From 'Strong' Predictions" 5 1 5 43 parsed_5t3m 1
5 "5 ILE PHI -80.9 -40.9" 12 1 12 34 parsed_5t3m 1
6 "5 ILE PSI -52.8 -12.8" 13 1 13 34 parsed_5t3m 1
7 "6 PHE PHI -89.5 -49.5" 14 1 14 34 parsed_5t3m 1
8 "6 PHE PSI -42.7 0.5" 15 1 15 34 parsed_5t3m 1
9 "11 PRO PHI -78.0 -38.0" 22 1 22 34 parsed_5t3m 1
10 "11 PRO PSI -48.0 -8.0" 23 1 23 34 parsed_5t3m 1
11 "14 ASP PHI -90.1 -50.1" 26 1 26 34 parsed_5t3m 1
12 "14 ASP PSI 117.6 157.6" 27 1 27 34 parsed_5t3m 1
13 "15 GLN PHI -107.7 -61.0" 28 1 28 34 parsed_5t3m 1
14 "15 GLN PSI 87.1 144.4" 29 1 29 34 parsed_5t3m 1
15 "30 TRP PHI -147.8 -53.7" 54 1 54 34 parsed_5t3m 1
16 "30 TRP PSI 111.8 175.3" 55 1 55 34 parsed_5t3m 1
17 "Phi/Psi Angles From 'Generous' Predictions" 65 1 65 45 parsed_5t3m 1
18 "3 LEU CHI1 -96.3 -40.7" 66 1 66 37 parsed_5t3m 1
19 "6 PHE CHI1 -88.7 -46.7" 67 1 67 37 parsed_5t3m 1
20 "19 SER CHI1 48.8 88.2" 68 1 68 37 parsed_5t3m 1
21 "22 LEU CHI1 -78.5 -38.5" 69 1 69 37 parsed_5t3m 1
22 "28 THR CHI1 41.8 81.8" 70 1 70 34 parsed_5t3m 1
23 "29 ARG CHI1 -73.8 -33.8" 71 1 71 37 parsed_5t3m 1
24 "30 TRP CHI1 -86.7 -46.7" 72 1 72 37 parsed_5t3m 1
stop_
save_
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