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 |
|
|
489232 |
2kq0   |
16575 | cing | 2-parsed | STAR | dihedral angle | 40 |
data_2kq0_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kq0
_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_2kq0 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kq0
_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 2kq0 "Master copy" parsed_2kq0
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kq0
_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 2kq0.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kq0 1
1 2kq0.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 40 parsed_2kq0 1
1 2kq0.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 0 parsed_2kq0 1
1 2kq0.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kq0 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2kq0
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -90.00 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2kq0 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 150.00 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_2kq0 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -90.00 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_2kq0 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 150.00 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_2kq0 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -90.00 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_2kq0 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 150.00 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_2kq0 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -90.00 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2kq0 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 150.00 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_2kq0 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -90.00 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_2kq0 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 150.00 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_2kq0 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -90.00 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_2kq0 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 150.00 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_2kq0 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -90.00 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_2kq0 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 150.00 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_2kq0 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -90.00 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_2kq0 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 150.00 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_2kq0 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -90.00 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_2kq0 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 150.00 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_2kq0 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -90.00 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_2kq0 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 150.00 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_2kq0 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -90.00 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_2kq0 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 150.00 . . 32 . N . 32 . CA . 32 . C . 33 . N parsed_2kq0 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -90.00 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_2kq0 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 150.00 . . 33 . N . 33 . CA . 33 . C . 34 . N parsed_2kq0 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -90.00 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_2kq0 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 150.00 . . 34 . N . 34 . CA . 34 . C . 35 . N parsed_2kq0 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -40.00 . . 37 . C . 38 . N . 38 . CA . 38 . C parsed_2kq0 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.00 -10.00 . . 38 . N . 38 . CA . 38 . C . 39 . N parsed_2kq0 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -40.00 . . 38 . C . 39 . N . 39 . CA . 39 . C parsed_2kq0 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.00 -10.00 . . 39 . N . 39 . CA . 39 . C . 40 . N parsed_2kq0 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -40.00 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_2kq0 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.00 -10.00 . . 40 . N . 40 . CA . 40 . C . 41 . N parsed_2kq0 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.00 -49.00 . . 113 . C . 114 . N . 114 . CA . 114 . C parsed_2kq0 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.00 180.00 . . 114 . N . 114 . CA . 114 . C . 115 . N parsed_2kq0 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.00 -49.00 . . 114 . C . 115 . N . 115 . CA . 115 . C parsed_2kq0 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.00 180.00 . . 115 . N . 115 . CA . 115 . C . 116 . N parsed_2kq0 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.00 -49.00 . . 115 . C . 116 . N . 116 . CA . 116 . C parsed_2kq0 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.00 180.00 . . 116 . N . 116 . CA . 116 . C . 117 . N parsed_2kq0 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.00 -49.00 . . 116 . C . 117 . N . 117 . CA . 117 . C parsed_2kq0 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.00 180.00 . . 117 . N . 117 . CA . 117 . C . 118 . N parsed_2kq0 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 "BETA SHEET from 13 to 17" 1 1 1 26 parsed_2kq0 1
2 "BETA SHEET from 23 to 27" 12 1 12 26 parsed_2kq0 1
3 "BETA SHEET from 32 to 34" 23 1 23 26 parsed_2kq0 1
4 "ALPHA HELIX from 38 to 40" 30 1 30 27 parsed_2kq0 1
5 "Type II poly-proline helix from 114 to 117" 37 1 37 44 parsed_2kq0 1
stop_
save_
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