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 |
|
|
32787 |
1h0t   |
cing | 2-parsed | STAR | dihedral angle | 18 |
data_1h0t_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1h0t
_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_1h0t 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1h0t
_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 1h0t "Master copy" parsed_1h0t
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1h0t
_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 1h0t.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1h0t 1
1 1h0t.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 18 parsed_1h0t 1
1 1h0t.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1h0t 1
1 1h0t.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1h0t 1
1 1h0t.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1h0t 1
1 1h0t.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1h0t 1
1 1h0t.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1h0t 1
1 1h0t.mr . . XPLOR/CNS 8 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1h0t 1
1 1h0t.mr . . XPLOR/CNS 9 distance "hydrogen bond" simple 0 parsed_1h0t 1
1 1h0t.mr . . XPLOR/CNS 10 distance "hydrogen bond" simple 0 parsed_1h0t 1
1 1h0t.mr . . XPLOR/CNS 11 distance NOE simple 0 parsed_1h0t 1
1 1h0t.mr . . XPLOR/CNS 12 distance NOE simple 0 parsed_1h0t 1
1 1h0t.mr . . XPLOR/CNS 13 distance NOE simple 0 parsed_1h0t 1
1 1h0t.mr . . "MR format" 14 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1h0t 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1h0t
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -20 . ZSPA 5 . ha ZSPA 5 . ca ZSPA 5 . cb ZSPA 5 . HB1 parsed_1h0t 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -20 . ZSPA 9 . ha ZSPA 9 . ca ZSPA 9 . cb ZSPA 9 . HB1 parsed_1h0t 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140 220 . ZSPA 14 . ha ZSPA 14 . ca ZSPA 14 . cb ZSPA 14 . HB1 parsed_1h0t 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20 100 . ZSPA 19 . ha ZSPA 19 . ca ZSPA 19 . cb ZSPA 19 . HB1 parsed_1h0t 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20 100 . ZSPA 23 . ha ZSPA 23 . ca ZSPA 23 . cb ZSPA 23 . HB1 parsed_1h0t 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20 100 . ZSPA 24 . ha ZSPA 24 . ca ZSPA 24 . cb ZSPA 24 . HB1 parsed_1h0t 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20 100 . ZSPA 27 . ha ZSPA 27 . ca ZSPA 27 . cb ZSPA 27 . HB1 parsed_1h0t 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20 100 . ZSPA 33 . ha ZSPA 33 . ca ZSPA 33 . cb ZSPA 33 . HB1 parsed_1h0t 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140 220 . ZSPA 34 . ha ZSPA 34 . ca ZSPA 34 . cb ZSPA 34 . HB1 parsed_1h0t 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -20 . ZSPA 37 . ha ZSPA 37 . ca ZSPA 37 . cb ZSPA 37 . HB1 parsed_1h0t 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140 220 . ZSPA 39 . ha ZSPA 39 . ca ZSPA 39 . cb ZSPA 39 . HB1 parsed_1h0t 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -20 . ZSPA 40 . ha ZSPA 40 . ca ZSPA 40 . cb ZSPA 40 . HB1 parsed_1h0t 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -20 . ZSPA 44 . ha ZSPA 44 . ca ZSPA 44 . cb ZSPA 44 . HB1 parsed_1h0t 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -20 . ZSPA 50 . ha ZSPA 50 . ca ZSPA 50 . cb ZSPA 50 . HB1 parsed_1h0t 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140 220 . ZSPA 51 . ha ZSPA 51 . ca ZSPA 51 . cb ZSPA 51 . HB1 parsed_1h0t 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20 100 . ZSPA 52 . ha ZSPA 52 . ca ZSPA 52 . cb ZSPA 52 . HB1 parsed_1h0t 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -20 . ZSPA 55 . ha ZSPA 55 . ca ZSPA 55 . cb ZSPA 55 . HB1 parsed_1h0t 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -20 . ZSPA 58 . ha ZSPA 58 . ca ZSPA 58 . cb ZSPA 58 . HB1 parsed_1h0t 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
;
NMR restraints for the calculation of the Z/ZSPAPA-1 complex
ZSPAPA-1 chi1 angles from short time noesy and short time tocsy
Energy constant 1 kcal/mol/rad^2
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1 1 9 2 parsed_1h0t 1
stop_
save_
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