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 |
|
|
504374 |
2ee8   |
10148 | cing | 2-parsed | STAR | dihedral angle | 58 |
data_2ee8_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2ee8
_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_2ee8 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2ee8
_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 2ee8 "Master copy" parsed_2ee8
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2ee8
_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 2ee8.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2ee8 1
1 2ee8.mr . . DYANA/DIANA 2 distance "general distance" simple 36 parsed_2ee8 1
1 2ee8.mr . . DYANA/DIANA 3 distance "general distance" simple 36 parsed_2ee8 1
1 2ee8.mr . . DYANA/DIANA 4 distance NOE simple 1115 parsed_2ee8 1
1 2ee8.mr . . DYANA/DIANA 5 "dihedral angle" "Not applicable" "Not applicable" 58 parsed_2ee8 1
1 2ee8.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2ee8 1
stop_
save_
save_DYANA/DIANA_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2ee8
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.54 -99.54 . . 27 PHE . . . . . . . . . . . . . parsed_2ee8 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.62 162.62 . . 27 PHE . . . . . . . . . . . . . parsed_2ee8 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.07 -80.07 . . 29 LYS . . . . . . . . . . . . . parsed_2ee8 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.48 178.48 . . 29 LYS . . . . . . . . . . . . . parsed_2ee8 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.16 -35.16 . . 34 LEU . . . . . . . . . . . . . parsed_2ee8 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.63 -6.63 . . 34 LEU . . . . . . . . . . . . . parsed_2ee8 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.09 -38.09 . . 35 ILE . . . . . . . . . . . . . parsed_2ee8 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.79 -11.79 . . 35 ILE . . . . . . . . . . . . . parsed_2ee8 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.14 -34.14 . . 36 HIS . . . . . . . . . . . . . parsed_2ee8 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.24 -11.24 . . 36 HIS . . . . . . . . . . . . . parsed_2ee8 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.55 -40.55 . . 37 GLU . . . . . . . . . . . . . parsed_2ee8 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.23 -9.23 . . 37 GLU . . . . . . . . . . . . . parsed_2ee8 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.52 -49.52 . . 38 ARG . . . . . . . . . . . . . parsed_2ee8 1
14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.13 3.87 . . 38 ARG . . . . . . . . . . . . . parsed_2ee8 1
15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.43 -86.43 . . 54 ALA . . . . . . . . . . . . . parsed_2ee8 1
16 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.74 177.74 . . 54 ALA . . . . . . . . . . . . . parsed_2ee8 1
17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.60 -87.60 . . 55 PHE . . . . . . . . . . . . . parsed_2ee8 1
18 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.21 170.21 . . 55 PHE . . . . . . . . . . . . . parsed_2ee8 1
19 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113.33 -53.33 . . 60 HIST . . . . . . . . . . . . . parsed_2ee8 1
20 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.92 7.08 . . 60 HIST . . . . . . . . . . . . . parsed_2ee8 1
21 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.63 -38.63 . . 62 ARG . . . . . . . . . . . . . parsed_2ee8 1
22 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.67 -3.67 . . 62 ARG . . . . . . . . . . . . . parsed_2ee8 1
23 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.24 -38.24 . . 64 HIS . . . . . . . . . . . . . parsed_2ee8 1
24 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.09 -9.09 . . 64 HIS . . . . . . . . . . . . . parsed_2ee8 1
25 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.77 -38.77 . . 65 ARG . . . . . . . . . . . . . parsed_2ee8 1
26 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.56 -4.56 . . 65 ARG . . . . . . . . . . . . . parsed_2ee8 1
27 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.57 -40.57 . . 66 TYR . . . . . . . . . . . . . parsed_2ee8 1
28 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.94 -7.94 . . 66 TYR . . . . . . . . . . . . . parsed_2ee8 1
29 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -123.73 -63.73 . . 72 LYS . . . . . . . . . . . . . parsed_2ee8 1
30 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.65 161.65 . . 72 LYS . . . . . . . . . . . . . parsed_2ee8 1
31 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.30 -91.30 . . 75 LYS . . . . . . . . . . . . . parsed_2ee8 1
32 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87.93 147.93 . . 75 LYS . . . . . . . . . . . . . parsed_2ee8 1
33 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.44 -85.44 . . 85 GLN . . . . . . . . . . . . . parsed_2ee8 1
34 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.11 181.11 . . 85 GLN . . . . . . . . . . . . . parsed_2ee8 1
35 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.39 -35.39 . . 90 ALA . . . . . . . . . . . . . parsed_2ee8 1
36 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.25 -7.25 . . 90 ALA . . . . . . . . . . . . . parsed_2ee8 1
37 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.38 -37.38 . . 91 VAL . . . . . . . . . . . . . parsed_2ee8 1
38 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.82 -6.82 . . 91 VAL . . . . . . . . . . . . . parsed_2ee8 1
39 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.63 -36.63 . . 92 HIS . . . . . . . . . . . . . parsed_2ee8 1
40 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.19 -10.19 . . 92 HIS . . . . . . . . . . . . . parsed_2ee8 1
41 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.97 -35.97 . . 93 LYS . . . . . . . . . . . . . parsed_2ee8 1
42 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.08 -6.08 . . 93 LYS . . . . . . . . . . . . . parsed_2ee8 1
43 CHI21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 19 ILE . . . . . . . . . . . . . parsed_2ee8 1
44 CHI21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 35 ILE . . . . . . . . . . . . . parsed_2ee8 1
45 CHI21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 50 ILE . . . . . . . . . . . . . parsed_2ee8 1
46 CHI21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 67 ILE . . . . . . . . . . . . . parsed_2ee8 1
47 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 20 CYSS . . . . . . . . . . . . . parsed_2ee8 1
48 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 23 CYSS . . . . . . . . . . . . . parsed_2ee8 1
49 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 36 HIS . . . . . . . . . . . . . parsed_2ee8 1
50 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 40 HIS . . . . . . . . . . . . . parsed_2ee8 1
51 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 48 CYSS . . . . . . . . . . . . . parsed_2ee8 1
52 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 51 CYSS . . . . . . . . . . . . . parsed_2ee8 1
53 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 64 HIS . . . . . . . . . . . . . parsed_2ee8 1
54 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 68 HIS . . . . . . . . . . . . . parsed_2ee8 1
55 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 76 CYSS . . . . . . . . . . . . . parsed_2ee8 1
56 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 79 CYSS . . . . . . . . . . . . . parsed_2ee8 1
57 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 92 HIS . . . . . . . . . . . . . parsed_2ee8 1
58 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 96 HIS . . . . . . . . . . . . . parsed_2ee8 1
stop_
save_
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