Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
618563 | 5kqj RC | 30133 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 95 |
data_5kqj_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5kqj
_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_5kqj 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5kqj
_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 5kqj "Master copy" parsed_5kqj
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5kqj
_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 5kqj.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5kqj 1
1 5kqj.mr . . unknown 2 unknown "Not applicable" "Not applicable" 0 parsed_5kqj 1
1 5kqj.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 95 parsed_5kqj 1
1 5kqj.mr . . unknown 4 distance NOE simple 0 parsed_5kqj 1
1 5kqj.mr . . unknown 5 peak "Not applicable" "Not applicable" 0 parsed_5kqj 1
1 5kqj.mr . . unknown 6 distance NOE simple 0 parsed_5kqj 1
1 5kqj.mr . . DYANA/DIANA 7 distance NOE simple 0 parsed_5kqj 1
1 5kqj.mr . . DYANA/DIANA 8 distance "hydrogen bond" simple 0 parsed_5kqj 1
1 5kqj.mr . . XPLOR/CNS 9 distance "hydrogen bond" simple 0 parsed_5kqj 1
1 5kqj.mr . . XPLOR/CNS 10 distance NOE simple 0 parsed_5kqj 1
1 5kqj.mr . . "MR format" 11 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5kqj 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_5kqj
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
_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_5kqj 1
2 1 . . . parsed_5kqj 1
3 1 . . . parsed_5kqj 1
4 1 . . . parsed_5kqj 1
5 1 . . . parsed_5kqj 1
6 1 . . . parsed_5kqj 1
7 1 . . . parsed_5kqj 1
8 1 . . . parsed_5kqj 1
9 1 . . . parsed_5kqj 1
10 1 . . . parsed_5kqj 1
11 1 . . . parsed_5kqj 1
12 1 . . . parsed_5kqj 1
13 1 . . . parsed_5kqj 1
14 1 . . . parsed_5kqj 1
15 1 . . . parsed_5kqj 1
16 1 . . . parsed_5kqj 1
17 1 . . . parsed_5kqj 1
18 1 . . . parsed_5kqj 1
19 1 . . . parsed_5kqj 1
20 1 . . . parsed_5kqj 1
21 1 . . . parsed_5kqj 1
22 1 . . . parsed_5kqj 1
23 1 . . . parsed_5kqj 1
24 1 . . . parsed_5kqj 1
25 1 . . . parsed_5kqj 1
26 1 . . . parsed_5kqj 1
27 1 . . . parsed_5kqj 1
28 1 . . . parsed_5kqj 1
29 1 . . . parsed_5kqj 1
30 1 . . . parsed_5kqj 1
31 1 . . . parsed_5kqj 1
32 1 . . . parsed_5kqj 1
33 1 . . . parsed_5kqj 1
34 1 . . . parsed_5kqj 1
35 1 . . . parsed_5kqj 1
36 1 . . . parsed_5kqj 1
37 1 . . . parsed_5kqj 1
38 1 . . . parsed_5kqj 1
39 1 . . . parsed_5kqj 1
40 1 . . . parsed_5kqj 1
41 1 . . . parsed_5kqj 1
42 1 . . . parsed_5kqj 1
43 1 . . . parsed_5kqj 1
44 1 . . . parsed_5kqj 1
45 1 . . . parsed_5kqj 1
46 1 . . . parsed_5kqj 1
47 1 . . . parsed_5kqj 1
48 1 . . . parsed_5kqj 1
49 1 . . . parsed_5kqj 1
50 1 . . . parsed_5kqj 1
51 1 . . . parsed_5kqj 1
52 1 . . . parsed_5kqj 1
53 1 . . . parsed_5kqj 1
54 1 . . . parsed_5kqj 1
55 1 . . . parsed_5kqj 1
56 1 . . . parsed_5kqj 1
57 1 . . . parsed_5kqj 1
58 1 . . . parsed_5kqj 1
59 1 . . . parsed_5kqj 1
60 1 . . . parsed_5kqj 1
61 1 . . . parsed_5kqj 1
62 1 . . . parsed_5kqj 1
63 1 . . . parsed_5kqj 1
64 1 . . . parsed_5kqj 1
65 1 . . . parsed_5kqj 1
66 1 . . . parsed_5kqj 1
67 1 . . . parsed_5kqj 1
68 1 . . . parsed_5kqj 1
69 1 . . . parsed_5kqj 1
70 1 . . . parsed_5kqj 1
71 1 . . . parsed_5kqj 1
72 1 . . . parsed_5kqj 1
73 1 . . . parsed_5kqj 1
74 1 . . . parsed_5kqj 1
75 1 . . . parsed_5kqj 1
76 1 . . . parsed_5kqj 1
77 1 . . . parsed_5kqj 1
78 1 . . . parsed_5kqj 1
79 1 . . . parsed_5kqj 1
80 1 . . . parsed_5kqj 1
81 1 . . . parsed_5kqj 1
82 1 . . . parsed_5kqj 1
83 1 . . . parsed_5kqj 1
84 1 . . . parsed_5kqj 1
85 1 . . . parsed_5kqj 1
86 1 . . . parsed_5kqj 1
87 1 . . . parsed_5kqj 1
88 1 . . . parsed_5kqj 1
89 1 . . . parsed_5kqj 1
90 1 . . . parsed_5kqj 1
91 1 . . . parsed_5kqj 1
92 1 . . . parsed_5kqj 1
93 1 . . . parsed_5kqj 1
94 1 . . . parsed_5kqj 1
95 1 . . . parsed_5kqj 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 3 . O parsed_5kqj 1
1 1 2 . . . . . . . . A 7 . N parsed_5kqj 1
2 1 1 . . . . . . . . A 4 . O parsed_5kqj 1
2 1 2 . . . . . . . . A 8 . N parsed_5kqj 1
3 1 1 . . . . . . . . A 5 . O parsed_5kqj 1
3 1 2 . . . . . . . . A 9 . N parsed_5kqj 1
4 1 1 . . . . . . . . A 6 . O parsed_5kqj 1
4 1 2 . . . . . . . . A 10 . N parsed_5kqj 1
5 1 1 . . . . . . . . A 7 . O parsed_5kqj 1
5 1 2 . . . . . . . . A 11 . N parsed_5kqj 1
6 1 1 . . . . . . . . A 8 . O parsed_5kqj 1
6 1 2 . . . . . . . . A 12 . N parsed_5kqj 1
7 1 1 . . . . . . . . A 9 . O parsed_5kqj 1
7 1 2 . . . . . . . . A 13 . N parsed_5kqj 1
8 1 1 . . . . . . . . A 10 . O parsed_5kqj 1
8 1 2 . . . . . . . . A 14 . N parsed_5kqj 1
9 1 1 . . . . . . . . A 11 . O parsed_5kqj 1
9 1 2 . . . . . . . . A 15 . N parsed_5kqj 1
10 1 1 . . . . . . . . A 12 . O parsed_5kqj 1
10 1 2 . . . . . . . . A 16 . N parsed_5kqj 1
11 1 1 . . . . . . . . A 13 . O parsed_5kqj 1
11 1 2 . . . . . . . . A 17 . N parsed_5kqj 1
12 1 1 . . . . . . . . A 14 . O parsed_5kqj 1
12 1 2 . . . . . . . . A 18 . N parsed_5kqj 1
13 1 1 . . . . . . . . A 16 . O parsed_5kqj 1
13 1 2 . . . . . . . . A 20 . N parsed_5kqj 1
14 1 1 . . . . . . . . A 16 . O parsed_5kqj 1
14 1 2 . . . . . . . . A 21 . N parsed_5kqj 1
15 1 1 . . . . . . . . A 24 . O parsed_5kqj 1
15 1 2 . . . . . . . . A 48 . N parsed_5kqj 1
16 1 1 . . . . . . . . A 25 . O parsed_5kqj 1
16 1 2 . . . . . . . . A 123 . N parsed_5kqj 1
17 1 1 . . . . . . . . A 27 . O parsed_5kqj 1
17 1 2 . . . . . . . . A 31 . N parsed_5kqj 1
18 1 1 . . . . . . . . A 28 . O parsed_5kqj 1
18 1 2 . . . . . . . . A 32 . N parsed_5kqj 1
19 1 1 . . . . . . . . A 29 . O parsed_5kqj 1
19 1 2 . . . . . . . . A 33 . N parsed_5kqj 1
20 1 1 . . . . . . . . A 30 . O parsed_5kqj 1
20 1 2 . . . . . . . . A 34 . N parsed_5kqj 1
21 1 1 . . . . . . . . A 31 . O parsed_5kqj 1
21 1 2 . . . . . . . . A 35 . N parsed_5kqj 1
22 1 1 . . . . . . . . A 32 . O parsed_5kqj 1
22 1 2 . . . . . . . . A 36 . N parsed_5kqj 1
23 1 1 . . . . . . . . A 32 . O parsed_5kqj 1
23 1 2 . . . . . . . . A 37 . N parsed_5kqj 1
24 1 1 . . . . . . . . A 33 . O parsed_5kqj 1
24 1 2 . . . . . . . . A 114 . N parsed_5kqj 1
25 1 1 . . . . . . . . A 45 . O parsed_5kqj 1
25 1 2 . . . . . . . . A 86 . N parsed_5kqj 1
26 1 1 . . . . . . . . A 46 . O parsed_5kqj 1
26 1 2 . . . . . . . . A 26 . N parsed_5kqj 1
27 1 1 . . . . . . . . A 47 . O parsed_5kqj 1
27 1 2 . . . . . . . . A 88 . N parsed_5kqj 1
28 1 1 . . . . . . . . A 48 . O parsed_5kqj 1
28 1 2 . . . . . . . . A 24 . N parsed_5kqj 1
29 1 1 . . . . . . . . A 49 . O parsed_5kqj 1
29 1 2 . . . . . . . . A 90 . N parsed_5kqj 1
30 1 1 . . . . . . . . A 50 . O parsed_5kqj 1
30 1 2 . . . . . . . . A 53 . N parsed_5kqj 1
31 1 1 . . . . . . . . A 53 . O parsed_5kqj 1
31 1 2 . . . . . . . . A 56 . N parsed_5kqj 1
32 1 1 . . . . . . . . A 54 . O parsed_5kqj 1
32 1 2 . . . . . . . . A 58 . N parsed_5kqj 1
33 1 1 . . . . . . . . A 55 . O parsed_5kqj 1
33 1 2 . . . . . . . . A 59 . N parsed_5kqj 1
34 1 1 . . . . . . . . A 56 . O parsed_5kqj 1
34 1 2 . . . . . . . . A 60 . N parsed_5kqj 1
35 1 1 . . . . . . . . A 57 . O parsed_5kqj 1
35 1 2 . . . . . . . . A 61 . N parsed_5kqj 1
36 1 1 . . . . . . . . A 58 . O parsed_5kqj 1
36 1 2 . . . . . . . . A 62 . N parsed_5kqj 1
37 1 1 . . . . . . . . A 59 . O parsed_5kqj 1
37 1 2 . . . . . . . . A 63 . N parsed_5kqj 1
38 1 1 . . . . . . . . A 60 . O parsed_5kqj 1
38 1 2 . . . . . . . . A 64 . N parsed_5kqj 1
39 1 1 . . . . . . . . A 61 . O parsed_5kqj 1
39 1 2 . . . . . . . . A 66 . N parsed_5kqj 1
40 1 1 . . . . . . . . A 67 . O parsed_5kqj 1
40 1 2 . . . . . . . . A 79 . N parsed_5kqj 1
41 1 1 . . . . . . . . A 70 . O parsed_5kqj 1
41 1 2 . . . . . . . . A 77 . N parsed_5kqj 1
42 1 1 . . . . . . . . A 75 . O parsed_5kqj 1
42 1 2 . . . . . . . . A 72 . N parsed_5kqj 1
43 1 1 . . . . . . . . A 76 . O parsed_5kqj 1
43 1 2 . . . . . . . . A 87 . N parsed_5kqj 1
44 1 1 . . . . . . . . A 77 . O parsed_5kqj 1
44 1 2 . . . . . . . . A 69 . N parsed_5kqj 1
45 1 1 . . . . . . . . A 78 . O parsed_5kqj 1
45 1 2 . . . . . . . . A 85 . N parsed_5kqj 1
46 1 1 . . . . . . . . A 79 . O parsed_5kqj 1
46 1 2 . . . . . . . . A 67 . N parsed_5kqj 1
47 1 1 . . . . . . . . A 80 . O parsed_5kqj 1
47 1 2 . . . . . . . . A 83 . N parsed_5kqj 1
48 1 1 . . . . . . . . A 83 . O parsed_5kqj 1
48 1 2 . . . . . . . . A 80 . N parsed_5kqj 1
49 1 1 . . . . . . . . A 84 . O parsed_5kqj 1
49 1 2 . . . . . . . . A 45 . N parsed_5kqj 1
50 1 1 . . . . . . . . A 85 . O parsed_5kqj 1
50 1 2 . . . . . . . . A 78 . N parsed_5kqj 1
51 1 1 . . . . . . . . A 86 . O parsed_5kqj 1
51 1 2 . . . . . . . . A 47 . N parsed_5kqj 1
52 1 1 . . . . . . . . A 87 . O parsed_5kqj 1
52 1 2 . . . . . . . . A 76 . N parsed_5kqj 1
53 1 1 . . . . . . . . A 88 . O parsed_5kqj 1
53 1 2 . . . . . . . . A 49 . N parsed_5kqj 1
54 1 1 . . . . . . . . A 90 . O parsed_5kqj 1
54 1 2 . . . . . . . . A 51 . N parsed_5kqj 1
55 1 1 . . . . . . . . A 91 . O parsed_5kqj 1
55 1 2 . . . . . . . . A 98 . N parsed_5kqj 1
56 1 1 . . . . . . . . A 96 . O parsed_5kqj 1
56 1 2 . . . . . . . . A 93 . N parsed_5kqj 1
57 1 1 . . . . . . . . A 98 . O parsed_5kqj 1
57 1 2 . . . . . . . . A 91 . N parsed_5kqj 1
58 1 1 . . . . . . . . A 99 . O parsed_5kqj 1
58 1 2 . . . . . . . . A 102 . N parsed_5kqj 1
59 1 1 . . . . . . . . A 106 . O parsed_5kqj 1
59 1 2 . . . . . . . . A 124 . N parsed_5kqj 1
60 1 1 . . . . . . . . A 113 . O parsed_5kqj 1
60 1 2 . . . . . . . . A 120 . N parsed_5kqj 1
61 1 1 . . . . . . . . A 118 . O parsed_5kqj 1
61 1 2 . . . . . . . . A 115 . N parsed_5kqj 1
62 1 1 . . . . . . . . A 120 . O parsed_5kqj 1
62 1 2 . . . . . . . . A 113 . N parsed_5kqj 1
63 1 1 . . . . . . . . A 121 . O parsed_5kqj 1
63 1 2 . . . . . . . . A 25 . N parsed_5kqj 1
64 1 1 . . . . . . . . A 124 . O parsed_5kqj 1
64 1 2 . . . . . . . . A 128 . N parsed_5kqj 1
65 1 1 . . . . . . . . A 125 . O parsed_5kqj 1
65 1 2 . . . . . . . . A 129 . N parsed_5kqj 1
66 1 1 . . . . . . . . A 126 . O parsed_5kqj 1
66 1 2 . . . . . . . . A 130 . N parsed_5kqj 1
67 1 1 . . . . . . . . A 131 . O parsed_5kqj 1
67 1 2 . . . . . . . . A 135 . N parsed_5kqj 1
68 1 1 . . . . . . . . A 132 . O parsed_5kqj 1
68 1 2 . . . . . . . . A 136 . N parsed_5kqj 1
69 1 1 . . . . . . . . A 135 . O parsed_5kqj 1
69 1 2 . . . . . . . . A 139 . N parsed_5kqj 1
70 1 1 . . . . . . . . A 140 . O parsed_5kqj 1
70 1 2 . . . . . . . . A 143 . N parsed_5kqj 1
71 1 1 . . . . . . . . A 145 . O parsed_5kqj 1
71 1 2 . . . . . . . . A 148 . N parsed_5kqj 1
72 1 1 . . . . . . . . A 146 . O parsed_5kqj 1
72 1 2 . . . . . . . . A 150 . N parsed_5kqj 1
73 1 1 . . . . . . . . A 147 . O parsed_5kqj 1
73 1 2 . . . . . . . . A 151 . N parsed_5kqj 1
74 1 1 . . . . . . . . A 148 . O parsed_5kqj 1
74 1 2 . . . . . . . . A 152 . N parsed_5kqj 1
75 1 1 . . . . . . . . A 149 . O parsed_5kqj 1
75 1 2 . . . . . . . . A 153 . N parsed_5kqj 1
76 1 1 . . . . . . . . A 150 . O parsed_5kqj 1
76 1 2 . . . . . . . . A 154 . N parsed_5kqj 1
77 1 1 . . . . . . . . A 151 . O parsed_5kqj 1
77 1 2 . . . . . . . . A 155 . N parsed_5kqj 1
78 1 1 . . . . . . . . A 152 . O parsed_5kqj 1
78 1 2 . . . . . . . . A 156 . N parsed_5kqj 1
79 1 1 . . . . . . . . A 153 . O parsed_5kqj 1
79 1 2 . . . . . . . . A 157 . N parsed_5kqj 1
80 1 1 . . . . . . . . A 154 . O parsed_5kqj 1
80 1 2 . . . . . . . . A 158 . N parsed_5kqj 1
81 1 1 . . . . . . . . A 155 . O parsed_5kqj 1
81 1 2 . . . . . . . . A 159 . N parsed_5kqj 1
82 1 1 . . . . . . . . A 156 . O parsed_5kqj 1
82 1 2 . . . . . . . . A 160 . N parsed_5kqj 1
83 1 1 . . . . . . . . A 160 . O parsed_5kqj 1
83 1 2 . . . . . . . . A 164 . N parsed_5kqj 1
84 1 1 . . . . . . . . A 161 . O parsed_5kqj 1
84 1 2 . . . . . . . . A 165 . N parsed_5kqj 1
85 1 1 . . . . . . . . A 162 . O parsed_5kqj 1
85 1 2 . . . . . . . . A 166 . N parsed_5kqj 1
86 1 1 . . . . . . . . A 163 . O parsed_5kqj 1
86 1 2 . . . . . . . . A 167 . N parsed_5kqj 1
87 1 1 . . . . . . . . A 164 . O parsed_5kqj 1
87 1 2 . . . . . . . . A 168 . N parsed_5kqj 1
88 1 1 . . . . . . . . A 165 . O parsed_5kqj 1
88 1 2 . . . . . . . . A 169 . N parsed_5kqj 1
89 1 1 . . . . . . . . A 166 . O parsed_5kqj 1
89 1 2 . . . . . . . . A 170 . N parsed_5kqj 1
90 1 1 . . . . . . . . A 167 . O parsed_5kqj 1
90 1 2 . . . . . . . . A 171 . N parsed_5kqj 1
91 1 1 . . . . . . . . A 168 . O parsed_5kqj 1
91 1 2 . . . . . . . . A 172 . N parsed_5kqj 1
92 1 1 . . . . . . . . A 169 . O parsed_5kqj 1
92 1 2 . . . . . . . . A 173 . N parsed_5kqj 1
93 1 1 . . . . . . . . A 170 . O parsed_5kqj 1
93 1 2 . . . . . . . . A 174 . N parsed_5kqj 1
94 1 1 . . . . . . . . A 171 . O parsed_5kqj 1
94 1 2 . . . . . . . . A 175 . N parsed_5kqj 1
95 1 1 . . . . . . . . A 172 . O parsed_5kqj 1
95 1 2 . . . . . . . . A 176 . N parsed_5kqj 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 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
2 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
3 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
4 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
5 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
6 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
7 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
8 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
9 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
10 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
11 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
12 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
13 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
14 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
15 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
16 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
17 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
18 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
19 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
20 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
21 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
22 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
23 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
24 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
25 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
26 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
27 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
28 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
29 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
30 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
31 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
32 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
33 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
34 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
35 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
36 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
37 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
38 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
39 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
40 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
41 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
42 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
43 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
44 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
45 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
46 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
47 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
48 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
49 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
50 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
51 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
52 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
53 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
54 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
55 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
56 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
57 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
58 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
59 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
60 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
61 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
62 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
63 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
64 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
65 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
66 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
67 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
68 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
69 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
70 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
71 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
72 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
73 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
74 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
75 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
76 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
77 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
78 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
79 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
80 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
81 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
82 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
83 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
84 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
85 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
86 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
87 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
88 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
89 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
90 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
91 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
92 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
93 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
94 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 1
95 1 . . . . . $equil $equil-$lower $equil+$upper parsed_5kqj 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_5kqj 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: /Users/valjean/Desktop/AWQK_2.pdb
CNS version: 1.3 date: 22-Mar-2015 user: valjean
;
3 1 8 53 parsed_5kqj 1
3 =========================================================== 9 1 9 1 parsed_5kqj 1
4 "echo=off message=off" 11 1 11 28 parsed_5kqj 1
5 "- centre of square-well -" 13 23 13 23 parsed_5kqj 1
6 "- lower bound of square-well = $equil - $lower -" 14 23 14 23 parsed_5kqj 1
7 "- upper bound of square-well = $equil + $upper -" 15 23 15 23 parsed_5kqj 1
8 "echo=on message=on" 316 1 316 26 parsed_5kqj 1
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1
;
# Restraints file 3: ANT2_hbond_restraint.tbl
{===========================================================}
! mainchain hydrogen bond distance restraints
! automatically generated by script hydrogen_bonds.inp
! O--N distance <= 3.2 Angstrom
! C--O--N angle >= 120.0 degrees
! input coordinate file: /Users/valjean/Desktop/AWQK_2.pdb
! CNS version: 1.3 date: 22-Mar-2015 user: valjean
{===========================================================}
set echo=off message=off end
evaluate ($equil=2.8) {- centre of square-well -}
evaluate ($lower=0.2) {- lower bound of square-well = $equil - $lower -}
evaluate ($upper=0.2) {- upper bound of square-well = $equil + $upper -}
noe
nrestraints=5000
classification=hbond
potential hbond square-well
average hbond center
scale hbond 1.0
sqexp hbond 2
sqconst hbond 50.0
ceiling 1000.0
;
1 1 25 23 parsed_5kqj 1
2
;
end
flags include noe end
;
312 1 314 21 parsed_5kqj 1
stop_
save_