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 | subtype | subsubtype | item_count |
|
|
33967 |
1j7o   |
cing | 2-parsed | STAR | distance | general distance | simple | 12 |
data_1j7o_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1j7o
_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_1j7o 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1j7o
_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 1j7o "Master copy" parsed_1j7o
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1j7o
_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 1j7o.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1j7o 1
1 1j7o.mr . . XPLOR/CNS 2 "dipolar coupling" "Not applicable" "Not applicable" 355 parsed_1j7o 1
1 1j7o.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 58 parsed_1j7o 1
1 1j7o.mr . . XPLOR/CNS 4 distance "general distance" simple 12 parsed_1j7o 1
1 1j7o.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1j7o 1
1 1j7o.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1j7o 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1j7o
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "general distance"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 4
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_1j7o 1
2 1 . . . parsed_1j7o 1
3 1 . . . parsed_1j7o 1
4 1 . . . parsed_1j7o 1
5 1 . . . parsed_1j7o 1
6 1 . . . parsed_1j7o 1
7 1 . . . parsed_1j7o 1
8 1 . . . parsed_1j7o 1
9 1 . . . parsed_1j7o 1
10 1 . . . parsed_1j7o 1
11 1 . . . parsed_1j7o 1
12 1 . . . parsed_1j7o 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . AN1 31 . OE1 parsed_1j7o 1
1 1 2 . . . . . . . . CSM 1 . CC parsed_1j7o 1
2 1 1 . . . . . . . . AN1 31 . OE2 parsed_1j7o 1
2 1 2 . . . . . . . . CSM 1 . CC parsed_1j7o 1
3 1 1 . . . . . . . . AN1 26 . O parsed_1j7o 1
3 1 2 . . . . . . . . CSM 1 . CC parsed_1j7o 1
4 1 1 . . . . . . . . AN1 24 . OD1 parsed_1j7o 1
4 1 2 . . . . . . . . CSM 1 . CC parsed_1j7o 1
5 1 1 . . . . . . . . AN1 22 . OD1 parsed_1j7o 1
5 1 2 . . . . . . . . CSM 1 . CC parsed_1j7o 1
6 1 1 . . . . . . . . AN1 20 . OD1 parsed_1j7o 1
6 1 2 . . . . . . . . CSM 1 . CC parsed_1j7o 1
7 1 1 . . . . . . . . AN1 67 . OE1 parsed_1j7o 1
7 1 2 . . . . . . . . CSM 2 . CC parsed_1j7o 1
8 1 1 . . . . . . . . AN1 67 . OE2 parsed_1j7o 1
8 1 2 . . . . . . . . CSM 2 . CC parsed_1j7o 1
9 1 1 . . . . . . . . AN1 62 . O parsed_1j7o 1
9 1 2 . . . . . . . . CSM 2 . CC parsed_1j7o 1
10 1 1 . . . . . . . . AN1 60 . OD1 parsed_1j7o 1
10 1 2 . . . . . . . . CSM 2 . CC parsed_1j7o 1
11 1 1 . . . . . . . . AN1 58 . OD1 parsed_1j7o 1
11 1 2 . . . . . . . . CSM 2 . CC parsed_1j7o 1
12 1 1 . . . . . . . . AN1 56 . OD1 parsed_1j7o 1
12 1 2 . . . . . . . . CSM 2 . CC parsed_1j7o 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 2.418 2.333 2.503 parsed_1j7o 1
2 1 . . . . . 2.418 2.333 2.503 parsed_1j7o 1
3 1 . . . . . 2.418 2.333 2.503 parsed_1j7o 1
4 1 . . . . . 2.418 2.333 2.503 parsed_1j7o 1
5 1 . . . . . 2.418 2.333 2.503 parsed_1j7o 1
6 1 . . . . . 2.418 2.333 2.503 parsed_1j7o 1
7 1 . . . . . 2.418 2.333 2.503 parsed_1j7o 1
8 1 . . . . . 2.418 2.333 2.503 parsed_1j7o 1
9 1 . . . . . 2.418 2.333 2.503 parsed_1j7o 1
10 1 . . . . . 2.418 2.333 2.503 parsed_1j7o 1
11 1 . . . . . 2.418 2.333 2.503 parsed_1j7o 1
12 1 . . . . . 2.418 2.333 2.503 parsed_1j7o 1
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1
;
Constraints to satisfy Calcium coordination by the Ca-ligating groups. Segid AN1 and CSM correspond to
the protein and Calcium, respectively. Note that these constraints do not affect the outcome of
backbone structure. One get the same backbone structure when refining without these constraints.
;
1 1 3 98 parsed_1j7o 1
stop_
save_
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