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 |
|
|
38118 |
1qwa   |
cing | 2-parsed | STAR | dihedral angle | 23 |
data_1qwa_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1qwa
_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_1qwa 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1qwa
_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 1qwa "Master copy" parsed_1qwa
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1qwa
_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 1qwa.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1qwa 1
1 1qwa.mr . . XPLOR/CNS 2 distance NOE simple 490 parsed_1qwa 1
1 1qwa.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 46 parsed_1qwa 1
1 1qwa.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 71 parsed_1qwa 1
1 1qwa.mr . . XPLOR/CNS 5 planarity "Not applicable" "Not applicable" 0 parsed_1qwa 1
1 1qwa.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 23 parsed_1qwa 1
1 1qwa.mr . . XPLOR/CNS 7 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_1qwa 1
1 1qwa.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1qwa 1
stop_
save_
save_CNS/XPLOR_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1qwa
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 6
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . . 1 . C5' . 1 . C4' . 1 . C3' . 1 . O3' parsed_1qwa 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 62.0 102.0 . . 2 . C5' . 2 . C4' . 2 . C3' . 2 . O3' parsed_1qwa 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 62.0 102.0 . . 3 . C5' . 3 . C4' . 3 . C3' . 3 . O3' parsed_1qwa 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 62.0 102.0 . . 4 . C5' . 4 . C4' . 4 . C3' . 4 . O3' parsed_1qwa 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 62.0 102.0 . . 5 . C5' . 5 . C4' . 5 . C3' . 5 . O3' parsed_1qwa 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 62.0 102.0 . . 6 . C5' . 6 . C4' . 6 . C3' . 6 . O3' parsed_1qwa 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 62.0 102.0 . . 7 . C5' . 7 . C4' . 7 . C3' . 7 . O3' parsed_1qwa 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 62.0 102.0 . . 8 . C5' . 8 . C4' . 8 . C3' . 8 . O3' parsed_1qwa 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . . 9 . C5' . 9 . C4' . 9 . C3' . 9 . O3' parsed_1qwa 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.0 175.0 . . 10 . C5' . 10 . C4' . 10 . C3' . 10 . O3' parsed_1qwa 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.0 175.0 . . 11 . C5' . 11 . C4' . 11 . C3' . 11 . O3' parsed_1qwa 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . . 12 . C5' . 12 . C4' . 12 . C3' . 12 . O3' parsed_1qwa 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . . 13 . C5' . 13 . C4' . 13 . C3' . 13 . O3' parsed_1qwa 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . . 14 . C5' . 14 . C4' . 14 . C3' . 14 . O3' parsed_1qwa 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . . 15 . C5' . 15 . C4' . 15 . C3' . 15 . O3' parsed_1qwa 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . . 16 . C5' . 16 . C4' . 16 . C3' . 16 . O3' parsed_1qwa 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 62.0 102.0 . . 17 . C5' . 17 . C4' . 17 . C3' . 17 . O3' parsed_1qwa 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 62.0 102.0 . . 18 . C5' . 18 . C4' . 18 . C3' . 18 . O3' parsed_1qwa 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 62.0 102.0 . . 19 . C5' . 19 . C4' . 19 . C3' . 19 . O3' parsed_1qwa 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 62.0 102.0 . . 20 . C5' . 20 . C4' . 20 . C3' . 20 . O3' parsed_1qwa 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . . 21 . C5' . 21 . C4' . 21 . C3' . 21 . O3' parsed_1qwa 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -111.0 -31.0 . . 20 . C3' . 20 . O3' . 21 . P . 21 . C5' parsed_1qwa 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.0 -27.0 . . 20 . O3' . 21 . P . 21 . O5' . 21 . C5' parsed_1qwa 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 *delta* 5 62 5 62 parsed_1qwa 1
2 *delta* 10 62 10 62 parsed_1qwa 1
3 *delta* 15 62 15 62 parsed_1qwa 1
4 *delta* 20 62 20 62 parsed_1qwa 1
5 *delta* 25 62 25 62 parsed_1qwa 1
6 *delta* 30 62 30 62 parsed_1qwa 1
7 *delta* 35 61 35 61 parsed_1qwa 1
8 *delta* 40 61 40 61 parsed_1qwa 1
9 *delta* 45 62 45 62 parsed_1qwa 1
10 *delta* 50 62 50 62 parsed_1qwa 1
11 *delta* 55 62 55 62 parsed_1qwa 1
12 *delta* 60 62 60 62 parsed_1qwa 1
13 *delta* 65 63 65 63 parsed_1qwa 1
14 *delta* 70 63 70 63 parsed_1qwa 1
15 *delta* 75 63 75 63 parsed_1qwa 1
16 *delta* 80 63 80 63 parsed_1qwa 1
17 *delta* 85 63 85 63 parsed_1qwa 1
18 *delta* 90 63 90 63 parsed_1qwa 1
19 *delta* 95 63 95 63 parsed_1qwa 1
20 *delta* 100 63 100 63 parsed_1qwa 1
21 *delta* 105 63 105 63 parsed_1qwa 1
22 "artificialy insert restraint to keep A-form geometry at C21" 106 1 106 61 parsed_1qwa 1
23 "{full anti range}" 110 50 110 68 parsed_1qwa 1
stop_
save_
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