Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
646079 | 6tg5 RC | 34451 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 32 |
data_6tg5_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6tg5
_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_6tg5 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6tg5
_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 6tg5 "Master copy" parsed_6tg5
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6tg5
_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 6tg5.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6tg5 1
1 6tg5.mr . . XPLOR/CNS 2 distance "hydrogen bond" simple 32 parsed_6tg5 1
1 6tg5.mr . . XPLOR/CNS 3 distance NOE ambi 0 parsed_6tg5 1
1 6tg5.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_6tg5 1
1 6tg5.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6tg5 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6tg5
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 2
_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_6tg5 1
2 1 . . . parsed_6tg5 1
3 1 . . . parsed_6tg5 1
4 1 . . . parsed_6tg5 1
5 1 . . . parsed_6tg5 1
6 1 . . . parsed_6tg5 1
7 1 . . . parsed_6tg5 1
8 1 . . . parsed_6tg5 1
9 1 . . . parsed_6tg5 1
10 1 . . . parsed_6tg5 1
11 1 . . . parsed_6tg5 1
12 1 . . . parsed_6tg5 1
13 1 . . . parsed_6tg5 1
14 1 . . . parsed_6tg5 1
15 1 . . . parsed_6tg5 1
16 1 . . . parsed_6tg5 1
17 1 . . . parsed_6tg5 1
18 1 . . . parsed_6tg5 1
19 1 . . . parsed_6tg5 1
20 1 . . . parsed_6tg5 1
21 1 . . . parsed_6tg5 1
22 1 . . . parsed_6tg5 1
23 1 . . . parsed_6tg5 1
24 1 . . . parsed_6tg5 1
25 1 . . . parsed_6tg5 1
26 1 . . . parsed_6tg5 1
27 1 . . . parsed_6tg5 1
28 1 . . . parsed_6tg5 1
29 1 . . . parsed_6tg5 1
30 1 . . . parsed_6tg5 1
31 1 . . . parsed_6tg5 1
32 1 . . . parsed_6tg5 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 . . . . . . . . " A" 1 . O parsed_6tg5 1
1 1 2 . . . . . . . . " A" 5 . N parsed_6tg5 1
2 1 1 . . . . . . . . " A" 2 . O parsed_6tg5 1
2 1 2 . . . . . . . . " A" 6 . N parsed_6tg5 1
3 1 1 . . . . . . . . " A" 3 . O parsed_6tg5 1
3 1 2 . . . . . . . . " A" 7 . N parsed_6tg5 1
4 1 1 . . . . . . . . " A" 4 . O parsed_6tg5 1
4 1 2 . . . . . . . . " A" 8 . N parsed_6tg5 1
5 1 1 . . . . . . . . " A" 5 . O parsed_6tg5 1
5 1 2 . . . . . . . . " A" 9 . N parsed_6tg5 1
6 1 1 . . . . . . . . " A" 6 . O parsed_6tg5 1
6 1 2 . . . . . . . . " A" 10 . N parsed_6tg5 1
7 1 1 . . . . . . . . " A" 7 . O parsed_6tg5 1
7 1 2 . . . . . . . . " A" 11 . N parsed_6tg5 1
8 1 1 . . . . . . . . " A" 8 . O parsed_6tg5 1
8 1 2 . . . . . . . . " A" 12 . N parsed_6tg5 1
9 1 1 . . . . . . . . " A" 10 . O parsed_6tg5 1
9 1 2 . . . . . . . . " A" 14 . N parsed_6tg5 1
10 1 1 . . . . . . . . " A" 11 . O parsed_6tg5 1
10 1 2 . . . . . . . . " A" 15 . N parsed_6tg5 1
11 1 1 . . . . . . . . " A" 12 . O parsed_6tg5 1
11 1 2 . . . . . . . . " A" 16 . N parsed_6tg5 1
12 1 1 . . . . . . . . " A" 13 . O parsed_6tg5 1
12 1 2 . . . . . . . . " A" 17 . N parsed_6tg5 1
13 1 1 . . . . . . . . " A" 14 . O parsed_6tg5 1
13 1 2 . . . . . . . . " A" 18 . N parsed_6tg5 1
14 1 1 . . . . . . . . " A" 15 . O parsed_6tg5 1
14 1 2 . . . . . . . . " A" 19 . N parsed_6tg5 1
15 1 1 . . . . . . . . " A" 16 . O parsed_6tg5 1
15 1 2 . . . . . . . . " A" 20 . N parsed_6tg5 1
16 1 1 . . . . . . . . " A" 17 . O parsed_6tg5 1
16 1 2 . . . . . . . . " A" 21 . N parsed_6tg5 1
17 1 1 . . . . . . . . " A" 18 . O parsed_6tg5 1
17 1 2 . . . . . . . . " A" 22 . N parsed_6tg5 1
18 1 1 . . . . . . . . " A" 19 . O parsed_6tg5 1
18 1 2 . . . . . . . . " A" 23 . N parsed_6tg5 1
19 1 1 . . . . . . . . " A" 20 . O parsed_6tg5 1
19 1 2 . . . . . . . . " A" 24 . N parsed_6tg5 1
20 1 1 . . . . . . . . " A" 21 . O parsed_6tg5 1
20 1 2 . . . . . . . . " A" 25 . N parsed_6tg5 1
21 1 1 . . . . . . . . " A" 47 . O parsed_6tg5 1
21 1 2 . . . . . . . . " A" 50 . N parsed_6tg5 1
22 1 1 . . . . . . . . " A" 48 . O parsed_6tg5 1
22 1 2 . . . . . . . . " A" 52 . N parsed_6tg5 1
23 1 1 . . . . . . . . " A" 49 . O parsed_6tg5 1
23 1 2 . . . . . . . . " A" 53 . N parsed_6tg5 1
24 1 1 . . . . . . . . " A" 50 . O parsed_6tg5 1
24 1 2 . . . . . . . . " A" 54 . N parsed_6tg5 1
25 1 1 . . . . . . . . " A" 51 . O parsed_6tg5 1
25 1 2 . . . . . . . . " A" 55 . N parsed_6tg5 1
26 1 1 . . . . . . . . " A" 52 . O parsed_6tg5 1
26 1 2 . . . . . . . . " A" 56 . N parsed_6tg5 1
27 1 1 . . . . . . . . " A" 53 . O parsed_6tg5 1
27 1 2 . . . . . . . . " A" 57 . N parsed_6tg5 1
28 1 1 . . . . . . . . " A" 55 . O parsed_6tg5 1
28 1 2 . . . . . . . . " A" 59 . N parsed_6tg5 1
29 1 1 . . . . . . . . " A" 76 . O parsed_6tg5 1
29 1 2 . . . . . . . . " A" 80 . N parsed_6tg5 1
30 1 1 . . . . . . . . " A" 77 . O parsed_6tg5 1
30 1 2 . . . . . . . . " A" 81 . N parsed_6tg5 1
31 1 1 . . . . . . . . " A" 80 . O parsed_6tg5 1
31 1 2 . . . . . . . . " A" 84 . N parsed_6tg5 1
32 1 1 . . . . . . . . " A" 81 . O parsed_6tg5 1
32 1 2 . . . . . . . . " A" 85 . N parsed_6tg5 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 . . . . . 2.8 2.3 3.3 parsed_6tg5 1
2 1 . . . . . 2.8 2.3 3.3 parsed_6tg5 1
3 1 . . . . . 2.8 2.3 3.3 parsed_6tg5 1
4 1 . . . . . 2.8 2.3 3.3 parsed_6tg5 1
5 1 . . . . . 2.8 2.3 3.3 parsed_6tg5 1
6 1 . . . . . 2.8 2.3 3.3 parsed_6tg5 1
7 1 . . . . . 2.8 2.3 3.3 parsed_6tg5 1
8 1 . . . . . 2.8 2.3 3.3 parsed_6tg5 1
9 1 . . . . . 2.8 2.3 3.3 parsed_6tg5 1
10 1 . . . . . 2.8 2.3 3.3 parsed_6tg5 1
11 1 . . . . . 2.8 2.3 3.3 parsed_6tg5 1
12 1 . . . . . 2.8 2.3 3.3 parsed_6tg5 1
13 1 . . . . . 2.8 2.3 3.3 parsed_6tg5 1
14 1 . . . . . 2.8 2.3 3.3 parsed_6tg5 1
15 1 . . . . . 2.8 2.3 3.3 parsed_6tg5 1
16 1 . . . . . 2.8 2.3 3.3 parsed_6tg5 1
17 1 . . . . . 2.8 2.3 3.3 parsed_6tg5 1
18 1 . . . . . 2.8 2.3 3.3 parsed_6tg5 1
19 1 . . . . . 2.8 2.3 3.3 parsed_6tg5 1
20 1 . . . . . 2.8 2.3 3.3 parsed_6tg5 1
21 1 . . . . . 2.8 2.3 3.3 parsed_6tg5 1
22 1 . . . . . 2.8 2.3 3.3 parsed_6tg5 1
23 1 . . . . . 2.8 2.3 3.3 parsed_6tg5 1
24 1 . . . . . 2.8 2.3 3.3 parsed_6tg5 1
25 1 . . . . . 2.8 2.3 3.3 parsed_6tg5 1
26 1 . . . . . 2.8 2.3 3.3 parsed_6tg5 1
27 1 . . . . . 2.8 2.3 3.3 parsed_6tg5 1
28 1 . . . . . 2.8 2.3 3.3 parsed_6tg5 1
29 1 . . . . . 2.8 2.3 3.3 parsed_6tg5 1
30 1 . . . . . 2.8 2.3 3.3 parsed_6tg5 1
31 1 . . . . . 2.8 2.3 3.3 parsed_6tg5 1
32 1 . . . . . 2.8 2.3 3.3 parsed_6tg5 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 =========================================================== 2 1 2 1 parsed_6tg5 1
2
;
mainchain hydrogen bond distance restraints
automatically generated by script hydrogen_bonds.inp
O--N distance <= 3.2 Angstrom
C--O--N angle >= 120.0 degrees
input coordinate file: /home/chxcw/Documents/Work/NMRdata/PaulW/13C-15N-AcpD/Aria2/run14/structures/refine/AcpD_53_water.pdb
CNS version: 1.2 date: 20-Feb-2018 user: chxcw
;
3 1 8 51 parsed_6tg5 1
3 =========================================================== 9 1 9 1 parsed_6tg5 1
4
;
assign ( segid " A" and resid 100 and name O )
( segid " A" and resid 104 and name N ) 2.8 0.5 0.5
assign ( segid " A" and resid 101 and name O )
( segid " A" and resid 105 and name N ) 2.8 0.5 0.5
assign ( segid " A" and resid 101 and name O )
( segid " A" and resid 106 and name N ) 2.8 0.5 0.5
;
107 1 114 64 parsed_6tg5 1
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1 "# Restraints file 1: AcpD_53_hbond_alpha_helices.tbl" 1 1 1 52 parsed_6tg5 1
stop_
save_