Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
52461 | 2kif RC | 16272 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 62 |
data_2kif_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kif
_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_2kif 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kif
_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 2kif "Master copy" parsed_2kif
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kif
_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 2kif.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kif 1
1 2kif.mr . . XPLOR/CNS 2 distance NOE simple 2521 parsed_2kif 1
1 2kif.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 125 parsed_2kif 1
1 2kif.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 62 parsed_2kif 1
1 2kif.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kif 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2kif
_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_2kif 1
2 1 . . . parsed_2kif 1
3 1 . . . parsed_2kif 1
4 1 . . . parsed_2kif 1
5 1 . . . parsed_2kif 1
6 1 . . . parsed_2kif 1
7 1 . . . parsed_2kif 1
8 1 . . . parsed_2kif 1
9 1 . . . parsed_2kif 1
10 1 . . . parsed_2kif 1
11 1 . . . parsed_2kif 1
12 1 . . . parsed_2kif 1
13 1 . . . parsed_2kif 1
14 1 . . . parsed_2kif 1
15 1 . . . parsed_2kif 1
16 1 . . . parsed_2kif 1
17 1 . . . parsed_2kif 1
18 1 . . . parsed_2kif 1
19 1 . . . parsed_2kif 1
20 1 . . . parsed_2kif 1
21 1 . . . parsed_2kif 1
22 1 . . . parsed_2kif 1
23 1 . . . parsed_2kif 1
24 1 . . . parsed_2kif 1
25 1 . . . parsed_2kif 1
26 1 . . . parsed_2kif 1
27 1 . . . parsed_2kif 1
28 1 . . . parsed_2kif 1
29 1 . . . parsed_2kif 1
30 1 . . . parsed_2kif 1
31 1 . . . parsed_2kif 1
32 1 . . . parsed_2kif 1
33 1 . . . parsed_2kif 1
34 1 . . . parsed_2kif 1
35 1 . . . parsed_2kif 1
36 1 . . . parsed_2kif 1
37 1 . . . parsed_2kif 1
38 1 . . . parsed_2kif 1
39 1 . . . parsed_2kif 1
40 1 . . . parsed_2kif 1
41 1 . . . parsed_2kif 1
42 1 . . . parsed_2kif 1
43 1 . . . parsed_2kif 1
44 1 . . . parsed_2kif 1
45 1 . . . parsed_2kif 1
46 1 . . . parsed_2kif 1
47 1 . . . parsed_2kif 1
48 1 . . . parsed_2kif 1
49 1 . . . parsed_2kif 1
50 1 . . . parsed_2kif 1
51 1 . . . parsed_2kif 1
52 1 . . . parsed_2kif 1
53 1 . . . parsed_2kif 1
54 1 . . . parsed_2kif 1
55 1 . . . parsed_2kif 1
56 1 . . . parsed_2kif 1
57 1 . . . parsed_2kif 1
58 1 . . . parsed_2kif 1
59 1 . . . parsed_2kif 1
60 1 . . . parsed_2kif 1
61 1 . . . parsed_2kif 1
62 1 . . . parsed_2kif 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 . . . . . . . . . 3 . O parsed_2kif 1
1 1 2 . . . . . . . . . 7 . N parsed_2kif 1
2 1 1 . . . . . . . . . 3 . O parsed_2kif 1
2 1 2 . . . . . . . . . 7 . HN parsed_2kif 1
3 1 1 . . . . . . . . . 4 . O parsed_2kif 1
3 1 2 . . . . . . . . . 8 . N parsed_2kif 1
4 1 1 . . . . . . . . . 4 . O parsed_2kif 1
4 1 2 . . . . . . . . . 8 . HN parsed_2kif 1
5 1 1 . . . . . . . . . 5 . O parsed_2kif 1
5 1 2 . . . . . . . . . 9 . N parsed_2kif 1
6 1 1 . . . . . . . . . 5 . O parsed_2kif 1
6 1 2 . . . . . . . . . 9 . HN parsed_2kif 1
7 1 1 . . . . . . . . . 6 . O parsed_2kif 1
7 1 2 . . . . . . . . . 10 . N parsed_2kif 1
8 1 1 . . . . . . . . . 6 . O parsed_2kif 1
8 1 2 . . . . . . . . . 10 . HN parsed_2kif 1
9 1 1 . . . . . . . . . 7 . O parsed_2kif 1
9 1 2 . . . . . . . . . 11 . N parsed_2kif 1
10 1 1 . . . . . . . . . 7 . O parsed_2kif 1
10 1 2 . . . . . . . . . 11 . HN parsed_2kif 1
11 1 1 . . . . . . . . . 8 . O parsed_2kif 1
11 1 2 . . . . . . . . . 12 . N parsed_2kif 1
12 1 1 . . . . . . . . . 8 . O parsed_2kif 1
12 1 2 . . . . . . . . . 12 . HN parsed_2kif 1
13 1 1 . . . . . . . . . 9 . O parsed_2kif 1
13 1 2 . . . . . . . . . 13 . N parsed_2kif 1
14 1 1 . . . . . . . . . 9 . O parsed_2kif 1
14 1 2 . . . . . . . . . 13 . HN parsed_2kif 1
15 1 1 . . . . . . . . . 21 . O parsed_2kif 1
15 1 2 . . . . . . . . . 58 . N parsed_2kif 1
16 1 1 . . . . . . . . . 21 . O parsed_2kif 1
16 1 2 . . . . . . . . . 58 . HN parsed_2kif 1
17 1 1 . . . . . . . . . 56 . O parsed_2kif 1
17 1 2 . . . . . . . . . 21 . N parsed_2kif 1
18 1 1 . . . . . . . . . 56 . O parsed_2kif 1
18 1 2 . . . . . . . . . 21 . HN parsed_2kif 1
19 1 1 . . . . . . . . . 22 . O parsed_2kif 1
19 1 2 . . . . . . . . . 26 . N parsed_2kif 1
20 1 1 . . . . . . . . . 22 . O parsed_2kif 1
20 1 2 . . . . . . . . . 26 . HN parsed_2kif 1
21 1 1 . . . . . . . . . 23 . O parsed_2kif 1
21 1 2 . . . . . . . . . 27 . N parsed_2kif 1
22 1 1 . . . . . . . . . 23 . O parsed_2kif 1
22 1 2 . . . . . . . . . 27 . HN parsed_2kif 1
23 1 1 . . . . . . . . . 24 . O parsed_2kif 1
23 1 2 . . . . . . . . . 28 . N parsed_2kif 1
24 1 1 . . . . . . . . . 24 . O parsed_2kif 1
24 1 2 . . . . . . . . . 28 . HN parsed_2kif 1
25 1 1 . . . . . . . . . 25 . O parsed_2kif 1
25 1 2 . . . . . . . . . 29 . N parsed_2kif 1
26 1 1 . . . . . . . . . 25 . O parsed_2kif 1
26 1 2 . . . . . . . . . 29 . HN parsed_2kif 1
27 1 1 . . . . . . . . . 26 . O parsed_2kif 1
27 1 2 . . . . . . . . . 30 . N parsed_2kif 1
28 1 1 . . . . . . . . . 26 . O parsed_2kif 1
28 1 2 . . . . . . . . . 30 . HN parsed_2kif 1
29 1 1 . . . . . . . . . 36 . O parsed_2kif 1
29 1 2 . . . . . . . . . 40 . N parsed_2kif 1
30 1 1 . . . . . . . . . 36 . O parsed_2kif 1
30 1 2 . . . . . . . . . 40 . HN parsed_2kif 1
31 1 1 . . . . . . . . . 37 . O parsed_2kif 1
31 1 2 . . . . . . . . . 41 . N parsed_2kif 1
32 1 1 . . . . . . . . . 37 . O parsed_2kif 1
32 1 2 . . . . . . . . . 41 . HN parsed_2kif 1
33 1 1 . . . . . . . . . 38 . O parsed_2kif 1
33 1 2 . . . . . . . . . 42 . N parsed_2kif 1
34 1 1 . . . . . . . . . 38 . O parsed_2kif 1
34 1 2 . . . . . . . . . 42 . HN parsed_2kif 1
35 1 1 . . . . . . . . . 39 . O parsed_2kif 1
35 1 2 . . . . . . . . . 43 . N parsed_2kif 1
36 1 1 . . . . . . . . . 39 . O parsed_2kif 1
36 1 2 . . . . . . . . . 43 . HN parsed_2kif 1
37 1 1 . . . . . . . . . 69 . O parsed_2kif 1
37 1 2 . . . . . . . . . 73 . N parsed_2kif 1
38 1 1 . . . . . . . . . 69 . O parsed_2kif 1
38 1 2 . . . . . . . . . 73 . HN parsed_2kif 1
39 1 1 . . . . . . . . . 70 . O parsed_2kif 1
39 1 2 . . . . . . . . . 74 . N parsed_2kif 1
40 1 1 . . . . . . . . . 70 . O parsed_2kif 1
40 1 2 . . . . . . . . . 74 . HN parsed_2kif 1
41 1 1 . . . . . . . . . 71 . O parsed_2kif 1
41 1 2 . . . . . . . . . 75 . N parsed_2kif 1
42 1 1 . . . . . . . . . 71 . O parsed_2kif 1
42 1 2 . . . . . . . . . 75 . HN parsed_2kif 1
43 1 1 . . . . . . . . . 72 . O parsed_2kif 1
43 1 2 . . . . . . . . . 76 . N parsed_2kif 1
44 1 1 . . . . . . . . . 72 . O parsed_2kif 1
44 1 2 . . . . . . . . . 76 . HN parsed_2kif 1
45 1 1 . . . . . . . . . 73 . O parsed_2kif 1
45 1 2 . . . . . . . . . 77 . N parsed_2kif 1
46 1 1 . . . . . . . . . 73 . O parsed_2kif 1
46 1 2 . . . . . . . . . 77 . HN parsed_2kif 1
47 1 1 . . . . . . . . . 74 . O parsed_2kif 1
47 1 2 . . . . . . . . . 78 . N parsed_2kif 1
48 1 1 . . . . . . . . . 74 . O parsed_2kif 1
48 1 2 . . . . . . . . . 78 . HN parsed_2kif 1
49 1 1 . . . . . . . . . 75 . O parsed_2kif 1
49 1 2 . . . . . . . . . 79 . N parsed_2kif 1
50 1 1 . . . . . . . . . 75 . O parsed_2kif 1
50 1 2 . . . . . . . . . 79 . HN parsed_2kif 1
51 1 1 . . . . . . . . . 76 . O parsed_2kif 1
51 1 2 . . . . . . . . . 80 . N parsed_2kif 1
52 1 1 . . . . . . . . . 76 . O parsed_2kif 1
52 1 2 . . . . . . . . . 80 . HN parsed_2kif 1
53 1 1 . . . . . . . . . 78 . O parsed_2kif 1
53 1 2 . . . . . . . . . 81 . N parsed_2kif 1
54 1 1 . . . . . . . . . 78 . O parsed_2kif 1
54 1 2 . . . . . . . . . 81 . HN parsed_2kif 1
55 1 1 . . . . . . . . . 62 . O parsed_2kif 1
55 1 2 . . . . . . . . . 91 . N parsed_2kif 1
56 1 1 . . . . . . . . . 62 . O parsed_2kif 1
56 1 2 . . . . . . . . . 91 . HN parsed_2kif 1
57 1 1 . . . . . . . . . 90 . O parsed_2kif 1
57 1 2 . . . . . . . . . 86 . N parsed_2kif 1
58 1 1 . . . . . . . . . 90 . O parsed_2kif 1
58 1 2 . . . . . . . . . 86 . HN parsed_2kif 1
59 1 1 . . . . . . . . . 89 . O parsed_2kif 1
59 1 2 . . . . . . . . . 64 . N parsed_2kif 1
60 1 1 . . . . . . . . . 89 . O parsed_2kif 1
60 1 2 . . . . . . . . . 64 . HN parsed_2kif 1
61 1 1 . . . . . . . . . 86 . O parsed_2kif 1
61 1 2 . . . . . . . . . 90 . N parsed_2kif 1
62 1 1 . . . . . . . . . 86 . O parsed_2kif 1
62 1 2 . . . . . . . . . 90 . HN parsed_2kif 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 . . . . . 2.80 2.40 3.30 parsed_2kif 1
2 1 . . . . . 1.8 1.5 2.3 parsed_2kif 1
3 1 . . . . . 2.80 2.40 3.30 parsed_2kif 1
4 1 . . . . . 1.8 1.5 2.3 parsed_2kif 1
5 1 . . . . . 2.80 2.40 3.30 parsed_2kif 1
6 1 . . . . . 1.8 1.5 2.3 parsed_2kif 1
7 1 . . . . . 2.80 2.40 3.30 parsed_2kif 1
8 1 . . . . . 1.8 1.5 2.3 parsed_2kif 1
9 1 . . . . . 2.80 2.40 3.30 parsed_2kif 1
10 1 . . . . . 1.8 1.5 2.3 parsed_2kif 1
11 1 . . . . . 2.80 2.40 3.30 parsed_2kif 1
12 1 . . . . . 1.8 1.5 2.3 parsed_2kif 1
13 1 . . . . . 2.80 2.40 3.30 parsed_2kif 1
14 1 . . . . . 1.8 1.5 2.3 parsed_2kif 1
15 1 . . . . . 2.80 2.40 3.30 parsed_2kif 1
16 1 . . . . . 1.8 1.5 2.3 parsed_2kif 1
17 1 . . . . . 2.80 2.40 3.30 parsed_2kif 1
18 1 . . . . . 1.8 1.5 2.3 parsed_2kif 1
19 1 . . . . . 2.80 2.40 3.30 parsed_2kif 1
20 1 . . . . . 1.8 1.5 2.3 parsed_2kif 1
21 1 . . . . . 2.80 2.40 3.30 parsed_2kif 1
22 1 . . . . . 1.8 1.5 2.3 parsed_2kif 1
23 1 . . . . . 2.80 2.40 3.30 parsed_2kif 1
24 1 . . . . . 1.8 1.5 2.3 parsed_2kif 1
25 1 . . . . . 2.80 2.40 3.30 parsed_2kif 1
26 1 . . . . . 1.8 1.5 2.3 parsed_2kif 1
27 1 . . . . . 2.80 2.40 3.30 parsed_2kif 1
28 1 . . . . . 1.8 1.5 2.3 parsed_2kif 1
29 1 . . . . . 2.80 2.40 3.30 parsed_2kif 1
30 1 . . . . . 1.8 1.5 2.3 parsed_2kif 1
31 1 . . . . . 2.80 2.40 3.30 parsed_2kif 1
32 1 . . . . . 1.8 1.5 2.3 parsed_2kif 1
33 1 . . . . . 2.80 2.40 3.30 parsed_2kif 1
34 1 . . . . . 1.8 1.5 2.3 parsed_2kif 1
35 1 . . . . . 2.80 2.40 3.30 parsed_2kif 1
36 1 . . . . . 1.8 1.5 2.3 parsed_2kif 1
37 1 . . . . . 2.80 2.40 3.30 parsed_2kif 1
38 1 . . . . . 1.8 1.5 2.3 parsed_2kif 1
39 1 . . . . . 2.80 2.40 3.30 parsed_2kif 1
40 1 . . . . . 1.8 1.5 2.3 parsed_2kif 1
41 1 . . . . . 2.80 2.40 3.30 parsed_2kif 1
42 1 . . . . . 1.8 1.5 2.3 parsed_2kif 1
43 1 . . . . . 2.80 2.40 3.30 parsed_2kif 1
44 1 . . . . . 1.8 1.5 2.3 parsed_2kif 1
45 1 . . . . . 2.80 2.40 3.30 parsed_2kif 1
46 1 . . . . . 1.8 1.5 2.3 parsed_2kif 1
47 1 . . . . . 2.80 2.40 3.30 parsed_2kif 1
48 1 . . . . . 1.8 1.5 2.3 parsed_2kif 1
49 1 . . . . . 2.80 2.40 3.30 parsed_2kif 1
50 1 . . . . . 1.8 1.5 2.3 parsed_2kif 1
51 1 . . . . . 2.80 2.40 3.30 parsed_2kif 1
52 1 . . . . . 1.8 1.5 2.3 parsed_2kif 1
53 1 . . . . . 2.80 2.40 3.30 parsed_2kif 1
54 1 . . . . . 1.8 1.5 2.3 parsed_2kif 1
55 1 . . . . . 2.80 2.40 3.30 parsed_2kif 1
56 1 . . . . . 1.8 1.5 2.3 parsed_2kif 1
57 1 . . . . . 2.80 2.40 3.30 parsed_2kif 1
58 1 . . . . . 1.8 1.5 2.3 parsed_2kif 1
59 1 . . . . . 2.80 2.40 3.30 parsed_2kif 1
60 1 . . . . . 1.8 1.5 2.3 parsed_2kif 1
61 1 . . . . . 2.80 2.40 3.30 parsed_2kif 1
62 1 . . . . . 1.8 1.5 2.3 parsed_2kif 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
;
H-bonds from AutoStructure and CYANA 3.0
created by AutoStructure/RPF Version 2.2.1 Copyright(C) 2007
secondary structural elements only
helix 1: 3-12
;
1 1 5 16 parsed_2kif 1
2 "parallel beta strand 21-22:57-58" 20 1 20 35 parsed_2kif 1
3 "helix 2: 23-30" 25 1 25 16 parsed_2kif 1
4 "helix 3: 36-43" 36 1 36 16 parsed_2kif 1
5
;
assign (resid 54 and name O )(resid 57 and name N ) 2.80 0.4 0.5
assign (resid 54 and name O )(resid 57 and name HN ) 1.8 0.3 0.5
assign (resid 59 and name O )(resid 62 and name N ) 2.80 0.4 0.5
assign (resid 59 and name O )(resid 62 and name HN ) 1.8 0.3 0.5
helix 4: 69-81
;
45 1 49 16 parsed_2kif 1
6
;
assign (resid 78 and name O )(resid 83 and name N ) 2.80 0.4 0.5
assign (resid 78 and name O )(resid 83 and name HN ) 1.8 0.3 0.5
assign (resid 79 and name O )(resid 82 and name N ) 2.80 0.4 0.5
assign (resid 79 and name O )(resid 82 and name HN ) 1.8 0.3 0.5
helix 5: 93-96
antiparallel strands: 85-86:90-91:62-63
;
68 1 73 42 parsed_2kif 1
stop_
save_