Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
547964 | 2lx0 RC | 18655 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 20 |
data_2lx0_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2lx0
_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_2lx0 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2lx0
_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 2lx0 "Master copy" parsed_2lx0
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2lx0
_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 2lx0.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lx0 1
1 2lx0.mr . . XPLOR/CNS 2 distance NOE simple 1701 parsed_2lx0 1
1 2lx0.mr . . XPLOR/CNS 3 distance NOE ambi 166 parsed_2lx0 1
1 2lx0.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 20 parsed_2lx0 1
1 2lx0.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2lx0 1
1 2lx0.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lx0 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2lx0
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_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_2lx0 1
2 1 . . . parsed_2lx0 1
3 1 . . . parsed_2lx0 1
4 1 . . . parsed_2lx0 1
5 1 . . . parsed_2lx0 1
6 1 . . . parsed_2lx0 1
7 1 . . . parsed_2lx0 1
8 1 . . . parsed_2lx0 1
9 1 . . . parsed_2lx0 1
10 1 . . . parsed_2lx0 1
11 1 . . . parsed_2lx0 1
12 1 . . . parsed_2lx0 1
13 1 . . . parsed_2lx0 1
14 1 . . . parsed_2lx0 1
15 1 . . . parsed_2lx0 1
16 1 . . . parsed_2lx0 1
17 1 . . . parsed_2lx0 1
18 1 . . . parsed_2lx0 1
19 1 . . . parsed_2lx0 1
20 1 . . . parsed_2lx0 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 . . . . . . . . . 9 . O parsed_2lx0 1
1 1 2 . . . . . . . . . 13 . HN parsed_2lx0 1
2 1 1 . . . . . . . . . 9 . O parsed_2lx0 1
2 1 2 . . . . . . . . . 13 . N parsed_2lx0 1
3 1 1 . . . . . . . . . 10 . O parsed_2lx0 1
3 1 2 . . . . . . . . . 14 . HN parsed_2lx0 1
4 1 1 . . . . . . . . . 10 . O parsed_2lx0 1
4 1 2 . . . . . . . . . 14 . N parsed_2lx0 1
5 1 1 . . . . . . . . . 13 . O parsed_2lx0 1
5 1 2 . . . . . . . . . 17 . HN parsed_2lx0 1
6 1 1 . . . . . . . . . 13 . O parsed_2lx0 1
6 1 2 . . . . . . . . . 17 . N parsed_2lx0 1
7 1 1 . . . . . . . . . 14 . O parsed_2lx0 1
7 1 2 . . . . . . . . . 18 . HN parsed_2lx0 1
8 1 1 . . . . . . . . . 14 . O parsed_2lx0 1
8 1 2 . . . . . . . . . 18 . N parsed_2lx0 1
9 1 1 . . . . . . . . . 17 . O parsed_2lx0 1
9 1 2 . . . . . . . . . 21 . HN parsed_2lx0 1
10 1 1 . . . . . . . . . 17 . O parsed_2lx0 1
10 1 2 . . . . . . . . . 21 . N parsed_2lx0 1
11 1 1 . . . . . . . . . 18 . O parsed_2lx0 1
11 1 2 . . . . . . . . . 22 . HN parsed_2lx0 1
12 1 1 . . . . . . . . . 18 . O parsed_2lx0 1
12 1 2 . . . . . . . . . 22 . N parsed_2lx0 1
13 1 1 . . . . . . . . . 19 . O parsed_2lx0 1
13 1 2 . . . . . . . . . 23 . HN parsed_2lx0 1
14 1 1 . . . . . . . . . 19 . O parsed_2lx0 1
14 1 2 . . . . . . . . . 23 . N parsed_2lx0 1
15 1 1 . . . . . . . . . 21 . O parsed_2lx0 1
15 1 2 . . . . . . . . . 25 . HN parsed_2lx0 1
16 1 1 . . . . . . . . . 21 . O parsed_2lx0 1
16 1 2 . . . . . . . . . 25 . N parsed_2lx0 1
17 1 1 . . . . . . . . . 22 . O parsed_2lx0 1
17 1 2 . . . . . . . . . 26 . HN parsed_2lx0 1
18 1 1 . . . . . . . . . 22 . O parsed_2lx0 1
18 1 2 . . . . . . . . . 26 . N parsed_2lx0 1
19 1 1 . . . . . . . . . 23 . O parsed_2lx0 1
19 1 2 . . . . . . . . . 27 . HN parsed_2lx0 1
20 1 1 . . . . . . . . . 23 . O parsed_2lx0 1
20 1 2 . . . . . . . . . 27 . N parsed_2lx0 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 . . . . . 2.2 1.7 2.4 parsed_2lx0 1
2 1 . . . . . 3.3 2.5 3.5 parsed_2lx0 1
3 1 . . . . . 2.2 1.7 2.4 parsed_2lx0 1
4 1 . . . . . 3.3 2.5 3.5 parsed_2lx0 1
5 1 . . . . . 2.2 1.7 2.4 parsed_2lx0 1
6 1 . . . . . 3.3 2.5 3.5 parsed_2lx0 1
7 1 . . . . . 2.2 1.7 2.4 parsed_2lx0 1
8 1 . . . . . 3.3 2.5 3.5 parsed_2lx0 1
9 1 . . . . . 2.2 1.7 2.4 parsed_2lx0 1
10 1 . . . . . 3.3 2.5 3.5 parsed_2lx0 1
11 1 . . . . . 2.2 1.7 2.4 parsed_2lx0 1
12 1 . . . . . 3.3 2.5 3.5 parsed_2lx0 1
13 1 . . . . . 2.2 1.7 2.4 parsed_2lx0 1
14 1 . . . . . 3.3 2.5 3.5 parsed_2lx0 1
15 1 . . . . . 2.2 1.7 2.4 parsed_2lx0 1
16 1 . . . . . 3.3 2.5 3.5 parsed_2lx0 1
17 1 . . . . . 2.2 1.7 2.4 parsed_2lx0 1
18 1 . . . . . 3.3 2.5 3.5 parsed_2lx0 1
19 1 . . . . . 2.2 1.7 2.4 parsed_2lx0 1
20 1 . . . . . 3.3 2.5 3.5 parsed_2lx0 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
;
hbonds based on characteristic a-helical NOEs
initially for residues from 9 to 27 in round 14
each pair represents 1 hbond
removed for residues 11, 12, 15 & 16 in round 16 based on analysis of round 15
removed for residue 20 in round 17 based on analysis of round 16
;
1 1 5 67 parsed_2lx0 1
2
;
assign (resid 11 and name O) (resid 15 and name HN) 2.2 0.5 0.2 ! commented out due to major violation after round 15
assign (resid 11 and name O) (resid 15 and name N ) 3.3 0.8 0.2 ! commented out due to major violation after round 15
assign (resid 12 and name O) (resid 16 and name HN) 2.2 0.5 0.2 ! commented out due to major violation after round 15
assign (resid 12 and name O) (resid 16 and name N ) 3.3 0.8 0.2 ! commented out due to major violation after round 15
;
11 1 14 120 parsed_2lx0 1
3
;
assign (resid 15 and name O) (resid 19 and name HN) 2.2 0.5 0.2 ! commented out due to major violation after round 15
assign (resid 15 and name O) (resid 19 and name N ) 3.3 0.8 0.2 ! commented out due to major violation after round 15
assign (resid 16 and name O) (resid 20 and name HN) 2.2 0.5 0.2 ! commented out due to major violation after round 15
assign (resid 16 and name O) (resid 20 and name N ) 3.3 0.8 0.2 ! commented out due to major violation after round 15
;
19 1 22 120 parsed_2lx0 1
4
;
assign (resid 20 and name O) (resid 24 and name HN) 2.2 0.5 0.2 ! commented out due to major violation after round 16
assign (resid 20 and name O) (resid 24 and name N ) 3.3 0.8 0.2 ! commented out due to major violation after round 16
;
29 1 30 120 parsed_2lx0 1
stop_
save_