NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
638529 |
5zyx   |
cing | 2-parsed | STAR | dihedral angle | 34 |
data_5zyx_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5zyx
_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_5zyx 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5zyx
_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 5zyx "Master copy" parsed_5zyx
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5zyx
_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 5zyx.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5zyx 1
1 5zyx.mr . . DYANA/DIANA 2 sequence "Not applicable" "Not applicable" 0 parsed_5zyx 1
1 5zyx.mr . . DYANA/DIANA 3 distance NOE simple 149 parsed_5zyx 1
1 5zyx.mr . . DYANA/DIANA 4 "dihedral angle" "Not applicable" "Not applicable" 34 parsed_5zyx 1
1 5zyx.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5zyx 1
stop_
save_
save_DYANA/DIANA_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5zyx
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.9 -47.9 . . 2 TRP . . . . . . . . . . . . . parsed_5zyx 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.6 -19.6 . . 2 TRP . . . . . . . . . . . . . parsed_5zyx 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.5 -51.5 . . 3 LYS . . . . . . . . . . . . . parsed_5zyx 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59 -19 . . 3 LYS . . . . . . . . . . . . . parsed_5zyx 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.5 -44.5 . . 4 ARG . . . . . . . . . . . . . parsed_5zyx 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58 -18 . . 4 ARG . . . . . . . . . . . . . parsed_5zyx 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.1 -45.1 . . 5 HIS . . . . . . . . . . . . . parsed_5zyx 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.4 -18.4 . . 5 HIS . . . . . . . . . . . . . parsed_5zyx 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.3 -84.3 . . 6 ILE . . . . . . . . . . . . . parsed_5zyx 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.9 -09.9 . . 6 ILE . . . . . . . . . . . . . parsed_5zyx 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.4 -58.4 . . 7 SER . . . . . . . . . . . . . parsed_5zyx 1
12 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78 -38 . . 8 GLU . . . . . . . . . . . . . parsed_5zyx 1
13 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.5 -15.5 . . 8 GLU . . . . . . . . . . . . . parsed_5zyx 1
14 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.7 -47.7 . . 9 GLN . . . . . . . . . . . . . parsed_5zyx 1
15 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.5 -22.5 . . 9 GLN . . . . . . . . . . . . . parsed_5zyx 1
16 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.5 -51.5 . . 10 LEU . . . . . . . . . . . . . parsed_5zyx 1
17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84 -44 . . 11 ARG . . . . . . . . . . . . . parsed_5zyx 1
18 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.3 -16.3 . . 11 ARG . . . . . . . . . . . . . parsed_5zyx 1
19 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -30 . . 12 ARG . . . . . . . . . . . . . parsed_5zyx 1
20 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 120 . . 12 ARG . . . . . . . . . . . . . parsed_5zyx 1
21 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -30 . . 13 ARG . . . . . . . . . . . . . parsed_5zyx 1
22 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 120 . . 13 ARG . . . . . . . . . . . . . parsed_5zyx 1
23 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -30 . . 14 ASP . . . . . . . . . . . . . parsed_5zyx 1
24 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 120 . . 14 ASP . . . . . . . . . . . . . parsed_5zyx 1
25 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -30 . . 15 ARG . . . . . . . . . . . . . parsed_5zyx 1
26 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 120 . . 15 ARG . . . . . . . . . . . . . parsed_5zyx 1
27 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.1 -46.1 . . 16 LEU . . . . . . . . . . . . . parsed_5zyx 1
28 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.6 -15.6 . . 16 LEU . . . . . . . . . . . . . parsed_5zyx 1
29 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.3 -42.3 . . 17 GLN . . . . . . . . . . . . . parsed_5zyx 1
30 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54 -14 . . 17 GLN . . . . . . . . . . . . . parsed_5zyx 1
31 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.5 -45.5 . . 18 ARG . . . . . . . . . . . . . parsed_5zyx 1
32 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.7 -20.7 . . 18 ARG . . . . . . . . . . . . . parsed_5zyx 1
33 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.8 -46.8 . . 19 GLN . . . . . . . . . . . . . parsed_5zyx 1
34 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.2 -24.2 . . 19 GLN . . . . . . . . . . . . . parsed_5zyx 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 3: K30_D8PG.aco" 1 1 1 33 parsed_5zyx 1
2 "Torsion angle constraints" 2 1 2 28 parsed_5zyx 1
3 "generated from HA secondary chemical shifts" 3 1 3 64 parsed_5zyx 1
stop_
save_
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