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 |
|
|
603946 |
2nb5   |
25962 | cing | 2-parsed | STAR | dihedral angle | 33 |
data_2nb5_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2nb5
_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_2nb5 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2nb5
_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 2nb5 "Master copy" parsed_2nb5
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2nb5
_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 2nb5.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2nb5 1
1 2nb5.mr . . DYANA/DIANA 2 distance "hydrogen bond" simple 6 parsed_2nb5 1
1 2nb5.mr . . DYANA/DIANA 3 distance NOE simple 166 parsed_2nb5 1
1 2nb5.mr . . DYANA/DIANA 4 "dihedral angle" "Not applicable" "Not applicable" 33 parsed_2nb5 1
1 2nb5.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2nb5 1
stop_
save_
save_DYANA/DIANA_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2nb5
_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 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 3 CYSS . . . . . . . . . . . . . parsed_2nb5 1
2 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -150.0 . . 5 TRP . . . . . . . . . . . . . parsed_2nb5 1
3 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -150.0 . . 7 SER . . . . . . . . . . . . . parsed_2nb5 1
4 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -150.0 . . 12 PHE . . . . . . . . . . . . . parsed_2nb5 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -182.5 -63.0 . . 3 CYSS . . . . . . . . . . . . . parsed_2nb5 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.8 176.6 . . 3 CYSS . . . . . . . . . . . . . parsed_2nb5 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166.8 -78.5 . . 4 TYR . . . . . . . . . . . . . parsed_2nb5 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.0 178.6 . . 4 TYR . . . . . . . . . . . . . parsed_2nb5 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.1 -73.0 . . 5 TRP . . . . . . . . . . . . . parsed_2nb5 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.9 148.9 . . 5 TRP . . . . . . . . . . . . . parsed_2nb5 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.2 -79.1 . . 6 THR . . . . . . . . . . . . . parsed_2nb5 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.7 159.7 . . 6 THR . . . . . . . . . . . . . parsed_2nb5 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.0 -65.6 . . 8 THR . . . . . . . . . . . . . parsed_2nb5 1
14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 45.1 177.9 . . 8 THR . . . . . . . . . . . . . parsed_2nb5 1
15 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 91.8 180.8 . . 9 PRO . . . . . . . . . . . . . parsed_2nb5 1
16 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.7 -51.4 . . 11 PHE . . . . . . . . . . . . . parsed_2nb5 1
17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.3 -55.9 . . 12 PHE . . . . . . . . . . . . . parsed_2nb5 1
18 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.9 183.3 . . 12 PHE . . . . . . . . . . . . . parsed_2nb5 1
19 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.8 -90.0 . . 13 THR . . . . . . . . . . . . . parsed_2nb5 1
20 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.7 179.4 . . 13 THR . . . . . . . . . . . . . parsed_2nb5 1
21 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.4 -102.5 . . 14 CYSS . . . . . . . . . . . . . parsed_2nb5 1
22 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.1 171.0 . . 14 CYSS . . . . . . . . . . . . . parsed_2nb5 1
23 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.5 -34.4 . . 15 THR . . . . . . . . . . . . . parsed_2nb5 1
24 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 78.9 192.9 . . 15 THR . . . . . . . . . . . . . parsed_2nb5 1
25 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.2 -8.2 . . 16 PRO . . . . . . . . . . . . . parsed_2nb5 1
26 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 3 CYSS . . . . . . . . . . . . . parsed_2nb5 1
27 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210 -150 . . 5 TRP . . . . . . . . . . . . . parsed_2nb5 1
28 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210 -150 . . 7 SER . . . . . . . . . . . . . parsed_2nb5 1
29 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210 -150 . . 12 PHE . . . . . . . . . . . . . parsed_2nb5 1
30 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 14 CYSS . . . . . . . . . . . . . parsed_2nb5 1
31 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60 90 . . 8 THR . . . . . . . . . . . . . parsed_2nb5 1
32 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60 90 . . 6 THR . . . . . . . . . . . . . parsed_2nb5 1
33 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60 90 . . 15 THR . . . . . . . . . . . . . parsed_2nb5 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 "9 PRO PHI -87.7 -47.7" 15 2 15 34 parsed_2nb5 1
2 "10 PRO PHI -91.8 -41.6" 17 1 17 34 parsed_2nb5 1
3 "10 PRO PSI -53.3 15.8" 18 1 18 34 parsed_2nb5 1
4 "11 PHE PSI 63.1 170.5" 20 2 20 34 parsed_2nb5 1
5 "16 PRO PHI -77.4 -37.4" 29 2 29 34 parsed_2nb5 1
stop_
save_
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