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 |
|
|
643294 |
5j8t   |
30064 | cing | 2-parsed | STAR | dihedral angle | 58 |
data_5j8t_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5j8t
_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_5j8t 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5j8t
_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 5j8t "Master copy" parsed_5j8t
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5j8t
_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 5j8t.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5j8t 1
1 5j8t.mr . . DYANA/DIANA 2 distance NOE simple 564 parsed_5j8t 1
1 5j8t.mr . . DYANA/DIANA 3 "dihedral angle" "Not applicable" "Not applicable" 58 parsed_5j8t 1
1 5j8t.mr . . XPLOR/CNS 4 distance "general distance" simple 0 parsed_5j8t 1
1 5j8t.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5j8t 1
stop_
save_
save_DYANA/DIANA_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5j8t
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.710 -72.632 . . 30 ILE . . . . . . . . . . . . . parsed_5j8t 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.074 141.074 . . 30 ILE . . . . . . . . . . . . . parsed_5j8t 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.002 -88.542 . . 31 HIS . . . . . . . . . . . . . parsed_5j8t 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.475 134.853 . . 31 HIS . . . . . . . . . . . . . parsed_5j8t 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.682 -102.616 . . 32 PHE . . . . . . . . . . . . . parsed_5j8t 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.008 152.260 . . 32 PHE . . . . . . . . . . . . . parsed_5j8t 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.897 -96.975 . . 34 SER . . . . . . . . . . . . . parsed_5j8t 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 133.091 178.283 . . 34 SER . . . . . . . . . . . . . parsed_5j8t 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.465 -48.465 . . 36 LYS . . . . . . . . . . . . . parsed_5j8t 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.131 -27.131 . . 36 LYS . . . . . . . . . . . . . parsed_5j8t 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.095 -57.095 . . 37 GLU . . . . . . . . . . . . . parsed_5j8t 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.107 -31.107 . . 37 GLU . . . . . . . . . . . . . parsed_5j8t 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.528 -55.528 . . 39 TRP . . . . . . . . . . . . . parsed_5j8t 1
14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.954 -30.954 . . 39 TRP . . . . . . . . . . . . . parsed_5j8t 1
15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.384 -56.384 . . 40 ALA . . . . . . . . . . . . . parsed_5j8t 1
16 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -31.606 -11.606 . . 40 ALA . . . . . . . . . . . . . parsed_5j8t 1
17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.495 -85.495 . . 41 ASN . . . . . . . . . . . . . parsed_5j8t 1
18 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -6.082 13.918 . . 41 ASN . . . . . . . . . . . . . parsed_5j8t 1
19 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 73.039 96.719 . . 42 GLY . . . . . . . . . . . . . parsed_5j8t 1
20 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7.818 27.818 . . 42 GLY . . . . . . . . . . . . . parsed_5j8t 1
21 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.691 -103.561 . . 44 SER . . . . . . . . . . . . . parsed_5j8t 1
22 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 153.385 174.385 . . 44 SER . . . . . . . . . . . . . parsed_5j8t 1
23 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 49.050 69.668 . . 45 ASP . . . . . . . . . . . . . parsed_5j8t 1
24 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 28.425 55.105 . . 45 ASP . . . . . . . . . . . . . parsed_5j8t 1
25 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.331 -74.167 . . 46 ILE . . . . . . . . . . . . . parsed_5j8t 1
26 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.190 146.974 . . 46 ILE . . . . . . . . . . . . . parsed_5j8t 1
27 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134.630 -83.462 . . 47 HIS . . . . . . . . . . . . . parsed_5j8t 1
28 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 128.215 164.283 . . 47 HIS . . . . . . . . . . . . . parsed_5j8t 1
29 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.723 -47.723 . . 48 GLU . . . . . . . . . . . . . parsed_5j8t 1
30 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.495 141.495 . . 48 GLU . . . . . . . . . . . . . parsed_5j8t 1
31 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.522 100.522 . . 49 GLY . . . . . . . . . . . . . parsed_5j8t 1
32 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -18.310 1.690 . . 49 GLY . . . . . . . . . . . . . parsed_5j8t 1
33 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.161 -62.471 . . 50 GLU . . . . . . . . . . . . . parsed_5j8t 1
34 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 131.690 160.008 . . 50 GLU . . . . . . . . . . . . . parsed_5j8t 1
35 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.531 -60.531 . . 53 TYR . . . . . . . . . . . . . parsed_5j8t 1
36 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.493 -21.237 . . 53 TYR . . . . . . . . . . . . . parsed_5j8t 1
37 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142.646 -84.392 . . 54 SER . . . . . . . . . . . . . parsed_5j8t 1
38 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.830 147.938 . . 54 SER . . . . . . . . . . . . . parsed_5j8t 1
39 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.181 -50.181 . . 55 ALA . . . . . . . . . . . . . parsed_5j8t 1
40 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -41.519 -21.519 . . 55 ALA . . . . . . . . . . . . . parsed_5j8t 1
41 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.856 -57.856 . . 56 LYS . . . . . . . . . . . . . parsed_5j8t 1
42 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -33.719 -13.719 . . 56 LYS . . . . . . . . . . . . . parsed_5j8t 1
43 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.373 -77.925 . . 57 LEU . . . . . . . . . . . . . parsed_5j8t 1
44 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.564 -1.408 . . 57 LEU . . . . . . . . . . . . . parsed_5j8t 1
45 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.104 -71.942 . . 58 ASP . . . . . . . . . . . . . parsed_5j8t 1
46 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 61.900 107.768 . . 58 ASP . . . . . . . . . . . . . parsed_5j8t 1
47 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.557 -54.557 . . 59 ARG . . . . . . . . . . . . . parsed_5j8t 1
48 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.246 -25.246 . . 59 ARG . . . . . . . . . . . . . parsed_5j8t 1
49 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.991 -79.991 . . 60 ASP . . . . . . . . . . . . . parsed_5j8t 1
50 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -9.770 10.230 . . 60 ASP . . . . . . . . . . . . . parsed_5j8t 1
51 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 42.277 62.277 . . 61 HIS . . . . . . . . . . . . . parsed_5j8t 1
52 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 32.226 52.226 . . 61 HIS . . . . . . . . . . . . . parsed_5j8t 1
53 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 74.716 94.716 . . 63 GLY . . . . . . . . . . . . . parsed_5j8t 1
54 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -4.325 15.675 . . 63 GLY . . . . . . . . . . . . . parsed_5j8t 1
55 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -117.320 -81.534 . . 64 VAL . . . . . . . . . . . . . parsed_5j8t 1
56 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.525 146.047 . . 64 VAL . . . . . . . . . . . . . parsed_5j8t 1
57 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.090 -91.174 . . 65 ALA . . . . . . . . . . . . . parsed_5j8t 1
58 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.341 147.937 . . 65 ALA . . . . . . . . . . . . . parsed_5j8t 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 2: talos2dyanum.aco" 1 1 1 37 parsed_5j8t 1
stop_
save_
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