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 |
|
|
617343 |
5nce   |
34113 | cing | 2-parsed | STAR | dihedral angle | 40 |
data_5nce_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5nce
_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_5nce 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5nce
_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 5nce "Master copy" parsed_5nce
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5nce
_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 5nce.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5nce 1
1 5nce.mr . . DYANA/DIANA 2 distance "hydrogen bond" simple 66 parsed_5nce 1
1 5nce.mr . . DYANA/DIANA 3 distance "general distance" simple 24 parsed_5nce 1
1 5nce.mr . . DYANA/DIANA 4 "dihedral angle" "Not applicable" "Not applicable" 40 parsed_5nce 1
1 5nce.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5nce 1
stop_
save_
save_DYANA/DIANA_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5nce
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.3 -55.7 . . 2 MET . . . . . . . . . . . . . parsed_5nce 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 68.8 175.6 . . 2 MET . . . . . . . . . . . . . parsed_5nce 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -40.0 . . 3 CYSS . . . . . . . . . . . . . parsed_5nce 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . . 3 CYSS . . . . . . . . . . . . . parsed_5nce 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -187.4 -93.6 . . 4 LYS . . . . . . . . . . . . . parsed_5nce 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.5 194.7 . . 4 LYS . . . . . . . . . . . . . parsed_5nce 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.8 -104.5 . . 5 THR . . . . . . . . . . . . . parsed_5nce 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.7 180.3 . . 5 THR . . . . . . . . . . . . . parsed_5nce 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.1 -43.6 . . 17 ASN . . . . . . . . . . . . . parsed_5nce 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.4 -11.2 . . 17 ASN . . . . . . . . . . . . . parsed_5nce 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.9 -51.9 . . 18 THR . . . . . . . . . . . . . parsed_5nce 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.0 -24.6 . . 18 THR . . . . . . . . . . . . . parsed_5nce 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.3 -50.5 . . 19 ASN . . . . . . . . . . . . . parsed_5nce 1
14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.3 -18.8 . . 19 ASN . . . . . . . . . . . . . parsed_5nce 1
15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.2 -52.3 . . 20 CYSS . . . . . . . . . . . . . parsed_5nce 1
16 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.6 -25.8 . . 20 CYSS . . . . . . . . . . . . . parsed_5nce 1
17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.7 -50.7 . . 21 LYS . . . . . . . . . . . . . parsed_5nce 1
18 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.8 -34.8 . . 21 LYS . . . . . . . . . . . . . parsed_5nce 1
19 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.7 -53.1 . . 22 ASN . . . . . . . . . . . . . parsed_5nce 1
20 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.4 -17.1 . . 22 ASN . . . . . . . . . . . . . parsed_5nce 1
21 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.6 -43.0 . . 23 VAL . . . . . . . . . . . . . parsed_5nce 1
22 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.9 -17.9 . . 23 VAL . . . . . . . . . . . . . parsed_5nce 1
23 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.9 -53.6 . . 24 CYSS . . . . . . . . . . . . . parsed_5nce 1
24 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.5 -19.0 . . 24 CYSS . . . . . . . . . . . . . parsed_5nce 1
25 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.4 -53.4 . . 25 ARG . . . . . . . . . . . . . parsed_5nce 1
26 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.6 -19.5 . . 25 ARG . . . . . . . . . . . . . parsed_5nce 1
27 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.3 -51.2 . . 26 THR . . . . . . . . . . . . . parsed_5nce 1
28 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.1 -6.1 . . 26 THR . . . . . . . . . . . . . parsed_5nce 1
29 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.7 -43.6 . . 33 SER . . . . . . . . . . . . . parsed_5nce 1
30 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.9 171.0 . . 33 SER . . . . . . . . . . . . . parsed_5nce 1
31 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.3 -53.5 . . 34 CYSS . . . . . . . . . . . . . parsed_5nce 1
32 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 92.0 157.1 . . 34 CYSS . . . . . . . . . . . . . parsed_5nce 1
33 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.1 -56.7 . . 35 ASP . . . . . . . . . . . . . parsed_5nce 1
34 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 78.3 186.3 . . 35 ASP . . . . . . . . . . . . . parsed_5nce 1
35 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.6 -53.8 . . 45 CYSS . . . . . . . . . . . . . parsed_5nce 1
36 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 71.6 171.9 . . 45 CYSS . . . . . . . . . . . . . parsed_5nce 1
37 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -99.6 . . 46 TYR . . . . . . . . . . . . . parsed_5nce 1
38 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.9 163.9 . . 46 TYR . . . . . . . . . . . . . parsed_5nce 1
39 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -45.0 . . 47 LYS . . . . . . . . . . . . . parsed_5nce 1
40 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . . 47 LYS . . . . . . . . . . . . . parsed_5nce 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 5: talos_mod.aco" 1 1 1 34 parsed_5nce 1
2 "7 SER PHI -85.4 -46.6" 10 1 10 33 parsed_5nce 1
3 "7 SER PSI 113.7 173.9" 11 1 11 33 parsed_5nce 1
4 "11 LYS PHI -195.8 -66.3" 12 1 12 33 parsed_5nce 1
5 "11 LYS PSI 97.7 188.9" 13 1 13 33 parsed_5nce 1
6 "13 TYR PHI -106.6 -40.0" 14 1 14 33 parsed_5nce 1
7 "13 TYR PSI 105.0 205.9" 15 1 15 33 parsed_5nce 1
8 "14 CYSS PHI -82.2 -42.4" 16 1 16 33 parsed_5nce 1
9 "14 CYSS PSI -57.6 1.5" 17 1 17 33 parsed_5nce 1
10 "16 ASN PHI -147.2 -44.6" 18 1 18 33 parsed_5nce 1
11 "16 ASN PSI 82.0 217.5" 19 1 19 33 parsed_5nce 1
12 "27 GLU PHI -128.1 -70.6" 40 1 40 33 parsed_5nce 1
13 "27 GLU PSI -12.5 14.0" 41 1 41 33 parsed_5nce 1
14 "29 PHE PHI -142.1 -37.8" 42 1 42 33 parsed_5nce 1
15 "29 PHE PSI 69.0 165.3" 43 1 43 33 parsed_5nce 1
16 "31 THR PHI -209.8 -83.6" 44 1 44 33 parsed_5nce 1
17 "31 THR PSI 78.9 200.3" 45 1 45 33 parsed_5nce 1
18 "36 PHE PHI -103.3 -63.6" 52 1 52 33 parsed_5nce 1
19 "36 PHE PSI 99.4 162.4" 53 1 53 33 parsed_5nce 1
20 "37 HIS PHI -108.3 -31.3" 54 1 54 33 parsed_5nce 1
21 "37 HIS PSI -60.7 -14.1" 55 1 55 33 parsed_5nce 1
22 "38 VAL PHI -114.6 -36.5" 56 1 56 33 parsed_5nce 1
23 "38 VAL PSI -63.6 -15.5" 57 1 57 33 parsed_5nce 1
24 "39 ALA PHI -128.4 -56.7" 58 1 58 33 parsed_5nce 1
25 "39 ALA PSI -62.8 40.0" 59 1 59 33 parsed_5nce 1
26 "43 CYSS PHI -137.1 -48.9" 60 1 60 33 parsed_5nce 1
27 "43 CYSS PSI 63.3 148.5" 61 1 61 33 parsed_5nce 1
stop_
save_
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