NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
45806 |
2eej   |
cing | 2-parsed | STAR | dihedral angle | 58 |
data_2eej_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2eej
_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_2eej 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2eej
_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 2eej "Master copy" parsed_2eej
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2eej
_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 2eej.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2eej 1
1 2eej.mr . . DYANA/DIANA 2 distance NOE simple 1546 parsed_2eej 1
1 2eej.mr . . DYANA/DIANA 3 "dihedral angle" "Not applicable" "Not applicable" 58 parsed_2eej 1
1 2eej.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2eej 1
stop_
save_
save_DYANA/DIANA_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2eej
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.0 -67.0 . . 10 LEU . . . . . . . . . . . . . parsed_2eej 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 160.0 . . 10 LEU . . . . . . . . . . . . . parsed_2eej 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.0 -83.0 . . 11 CYS . . . . . . . . . . . . . parsed_2eej 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 155.0 . . 11 CYS . . . . . . . . . . . . . parsed_2eej 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.0 -67.0 . . 12 ARG . . . . . . . . . . . . . parsed_2eej 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.0 162.0 . . 12 ARG . . . . . . . . . . . . . parsed_2eej 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.0 -79.0 . . 13 LEU . . . . . . . . . . . . . parsed_2eej 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.0 164.0 . . 13 LEU . . . . . . . . . . . . . parsed_2eej 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.0 -78.0 . . 14 ALA . . . . . . . . . . . . . parsed_2eej 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.0 166.0 . . 14 ALA . . . . . . . . . . . . . parsed_2eej 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.0 -79.0 . . 24 LEU . . . . . . . . . . . . . parsed_2eej 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.0 170.0 . . 24 LEU . . . . . . . . . . . . . parsed_2eej 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -171.0 -111.0 . . 25 ASN . . . . . . . . . . . . . parsed_2eej 1
14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 180.0 . . 25 ASN . . . . . . . . . . . . . parsed_2eej 1
15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.0 -73.0 . . 26 ALA . . . . . . . . . . . . . parsed_2eej 1
16 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97.0 157.0 . . 26 ALA . . . . . . . . . . . . . parsed_2eej 1
17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.0 -97.0 . . 34 PHE . . . . . . . . . . . . . parsed_2eej 1
18 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 180.0 . . 34 PHE . . . . . . . . . . . . . parsed_2eej 1
19 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.0 -59.0 . . 35 ILE . . . . . . . . . . . . . parsed_2eej 1
20 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.0 156.0 . . 35 ILE . . . . . . . . . . . . . parsed_2eej 1
21 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 36 LYS . . . . . . . . . . . . . parsed_2eej 1
22 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.0 184.0 . . 36 LYS . . . . . . . . . . . . . parsed_2eej 1
23 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.2 -35.2 . . 44 ALA . . . . . . . . . . . . . parsed_2eej 1
24 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.1 -12.1 . . 44 ALA . . . . . . . . . . . . . parsed_2eej 1
25 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.4 -35.4 . . 45 ASP . . . . . . . . . . . . . parsed_2eej 1
26 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.8 -11.8 . . 45 ASP . . . . . . . . . . . . . parsed_2eej 1
27 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.2 -39.2 . . 46 LEU . . . . . . . . . . . . . parsed_2eej 1
28 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.1 -0.1 . . 46 LEU . . . . . . . . . . . . . parsed_2eej 1
29 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.9 -34.9 . . 69 GLU . . . . . . . . . . . . . parsed_2eej 1
30 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.9 -8.9 . . 69 GLU . . . . . . . . . . . . . parsed_2eej 1
31 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.7 -34.7 . . 70 LYS . . . . . . . . . . . . . parsed_2eej 1
32 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.1 -8.1 . . 70 LYS . . . . . . . . . . . . . parsed_2eej 1
33 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.9 -34.9 . . 71 VAL . . . . . . . . . . . . . parsed_2eej 1
34 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.4 -15.4 . . 71 VAL . . . . . . . . . . . . . parsed_2eej 1
35 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.0 -32.0 . . 72 VAL . . . . . . . . . . . . . parsed_2eej 1
36 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.9 -13.9 . . 72 VAL . . . . . . . . . . . . . parsed_2eej 1
37 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.8 -30.9 . . 73 ASP . . . . . . . . . . . . . parsed_2eej 1
38 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.6 -7.6 . . 73 ASP . . . . . . . . . . . . . parsed_2eej 1
39 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.5 -33.5 . . 74 ARG . . . . . . . . . . . . . parsed_2eej 1
40 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.2 -15.2 . . 74 ARG . . . . . . . . . . . . . parsed_2eej 1
41 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.4 -34.4 . . 75 ILE . . . . . . . . . . . . . parsed_2eej 1
42 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.8 -12.8 . . 75 ILE . . . . . . . . . . . . . parsed_2eej 1
43 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.6 -31.6 . . 76 GLN . . . . . . . . . . . . . parsed_2eej 1
44 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.5 -10.5 . . 76 GLN . . . . . . . . . . . . . parsed_2eej 1
45 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.0 -38.0 . . 77 SER . . . . . . . . . . . . . parsed_2eej 1
46 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.0 2.0 . . 77 SER . . . . . . . . . . . . . parsed_2eej 1
47 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -100.0 . . 82 VAL . . . . . . . . . . . . . parsed_2eej 1
48 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.0 164.0 . . 82 VAL . . . . . . . . . . . . . parsed_2eej 1
49 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.0 -78.0 . . 83 THR . . . . . . . . . . . . . parsed_2eej 1
50 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.0 159.0 . . 83 THR . . . . . . . . . . . . . parsed_2eej 1
51 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154.0 -94.0 . . 84 LEU . . . . . . . . . . . . . parsed_2eej 1
52 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.0 170.0 . . 84 LEU . . . . . . . . . . . . . parsed_2eej 1
53 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.0 -83.0 . . 85 LEU . . . . . . . . . . . . . parsed_2eej 1
54 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97.0 157.0 . . 85 LEU . . . . . . . . . . . . . parsed_2eej 1
55 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.0 -102.0 . . 86 VAL . . . . . . . . . . . . . parsed_2eej 1
56 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.0 179.0 . . 86 VAL . . . . . . . . . . . . . parsed_2eej 1
57 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.0 -102.0 . . 87 CYS . . . . . . . . . . . . . parsed_2eej 1
58 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.0 166.0 . . 87 CYS . . . . . . . . . . . . . parsed_2eej 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 "8 PRO PHI -94.0 -34.0" 1 4 1 26 parsed_2eej 1
2 "8 PRO PSI 111.0 171.0" 2 4 2 26 parsed_2eej 1
3 "9 LYS PHI -142.0 -82.0" 3 4 3 27 parsed_2eej 1
4 "9 LYS PSI 91.0 151.0" 4 4 4 26 parsed_2eej 1
5 "17 GLU PHI -91.0 -31.0" 15 3 15 26 parsed_2eej 1
6 "17 GLU PSI -59.0 1.0" 16 3 16 26 parsed_2eej 1
7 "23 HIS PHI -161.0 -101.0" 17 3 17 28 parsed_2eej 1
8 "23 HIS PSI 114.0 174.0" 18 3 18 26 parsed_2eej 1
9 "30 LEU PHI -141.0 -81.0" 25 3 25 27 parsed_2eej 1
10 "30 LEU PSI 104.0 164.0" 26 3 26 26 parsed_2eej 1
11 "38 VAL PHI -94.0 -34.0" 33 3 33 26 parsed_2eej 1
12 "38 VAL PSI -66.0 -6.0" 34 3 34 26 parsed_2eej 1
13 "39 GLN PHI -113.0 -53.0" 35 3 35 27 parsed_2eej 1
14 "39 GLN PSI -49.0 11.0" 36 3 36 26 parsed_2eej 1
15 "43 PRO PHI -88.0 -28.0" 37 3 37 26 parsed_2eej 1
16 "43 PRO PSI -62.0 -2.0" 38 3 38 26 parsed_2eej 1
17 "55 ILE PHI -125.8 -65.8" 45 3 45 27 parsed_2eej 1
18 "55 ILE PSI 100.5 160.5" 46 3 46 26 parsed_2eej 1
19 "57 GLU PHI -163.8 -103.8" 47 3 47 28 parsed_2eej 1
20 "57 GLU PSI 120.7 180.7" 48 3 48 26 parsed_2eej 1
21 "61 VAL PHI -123.0 -63.0" 49 3 49 27 parsed_2eej 1
22 "61 VAL PSI 103.0 163.0" 50 3 50 26 parsed_2eej 1
23 "64 LEU PHI -93.0 -33.0" 51 3 51 26 parsed_2eej 1
24 "64 LEU PSI -50.0 10.0" 52 3 52 26 parsed_2eej 1
25 "65 ASP PHI -121.8 -61.8" 53 3 53 27 parsed_2eej 1
26 "65 ASP PSI -37.0 23.0" 54 3 54 26 parsed_2eej 1
27 "67 PRO PHI -88.0 -28.0" 55 3 55 26 parsed_2eej 1
28 "67 PRO PSI 109.5 169.5" 56 3 56 26 parsed_2eej 1
29 "81 ASN PHI -164.0 -104.0" 75 3 75 28 parsed_2eej 1
30 "81 ASN PSI 131.0 191.0" 76 3 76 26 parsed_2eej 1
31 "84 LEU CHI1 -75.0 -45.0" 90 3 90 28 parsed_2eej 1
stop_
save_
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