NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
638613 |
6k4w   |
cing | 2-parsed | STAR | dihedral angle | 74 |
data_6k4w_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6k4w
_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_6k4w 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6k4w
_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 6k4w "Master copy" parsed_6k4w
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6k4w
_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 6k4w.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6k4w 1
1 6k4w.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 74 parsed_6k4w 1
1 6k4w.mr . . XPLOR/CNS 3 distance NOE ambi 0 parsed_6k4w 1
1 6k4w.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6k4w 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6k4w
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -2.40 . " A" 2 . C " A" 3 . N " A" 3 . CA " A" 3 . C parsed_6k4w 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.00 189.94 . " A" 3 . N " A" 3 . CA " A" 3 . C " A" 4 . N parsed_6k4w 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -53.00 . " A" 3 . C " A" 4 . N " A" 4 . CA " A" 4 . C parsed_6k4w 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 25.16 . " A" 4 . N " A" 4 . CA " A" 4 . C " A" 5 . N parsed_6k4w 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -25.90 . " A" 4 . C " A" 5 . N " A" 5 . CA " A" 5 . C parsed_6k4w 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 12.46 . " A" 5 . N " A" 5 . CA " A" 5 . C " A" 6 . N parsed_6k4w 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.00 -37.42 . " A" 5 . C " A" 6 . N " A" 6 . CA " A" 6 . C parsed_6k4w 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 3.18 . " A" 6 . N " A" 6 . CA " A" 6 . C " A" 7 . N parsed_6k4w 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -46.68 . " A" 6 . C " A" 7 . N " A" 7 . CA " A" 7 . C parsed_6k4w 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 20.26 . " A" 7 . N " A" 7 . CA " A" 7 . C " A" 8 . N parsed_6k4w 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.00 -15.98 . " A" 7 . C " A" 8 . N " A" 8 . CA " A" 8 . C parsed_6k4w 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 14.94 . " A" 8 . N " A" 8 . CA " A" 8 . C " A" 9 . N parsed_6k4w 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.00 -21.38 . " A" 8 . C " A" 9 . N " A" 9 . CA " A" 9 . C parsed_6k4w 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.00 2.86 . " A" 9 . N " A" 9 . CA " A" 9 . C " A" 10 . N parsed_6k4w 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.00 -52.68 . " A" 9 . C " A" 10 . N " A" 10 . CA " A" 10 . C parsed_6k4w 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -0.90 . " A" 10 . N " A" 10 . CA " A" 10 . C " A" 11 . N parsed_6k4w 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -35.50 . " A" 10 . C " A" 11 . N " A" 11 . CA " A" 11 . C parsed_6k4w 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 10.08 . " A" 11 . N " A" 11 . CA " A" 11 . C " A" 12 . N parsed_6k4w 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.00 -38.36 . " A" 11 . C " A" 12 . N " A" 12 . CA " A" 12 . C parsed_6k4w 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 16.80 . " A" 12 . N " A" 12 . CA " A" 12 . C " A" 13 . N parsed_6k4w 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -33.42 . " A" 12 . C " A" 13 . N " A" 13 . CA " A" 13 . C parsed_6k4w 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -5.64 . " A" 13 . N " A" 13 . CA " A" 13 . C " A" 14 . N parsed_6k4w 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -36.82 . " A" 13 . C " A" 14 . N " A" 14 . CA " A" 14 . C parsed_6k4w 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 2.92 . " A" 14 . N " A" 14 . CA " A" 14 . C " A" 15 . N parsed_6k4w 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.66 . " A" 14 . C " A" 15 . N " A" 15 . CA " A" 15 . C parsed_6k4w 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 11.66 . " A" 15 . N " A" 15 . CA " A" 15 . C " A" 16 . N parsed_6k4w 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -28.14 . " A" 15 . C " A" 16 . N " A" 16 . CA " A" 16 . C parsed_6k4w 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 13.90 . " A" 16 . N " A" 16 . CA " A" 16 . C " A" 17 . N parsed_6k4w 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -47.60 . " A" 16 . C " A" 17 . N " A" 17 . CA " A" 17 . C parsed_6k4w 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.00 16.78 . " A" 17 . N " A" 17 . CA " A" 17 . C " A" 18 . N parsed_6k4w 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.00 -32.18 . " A" 17 . C " A" 18 . N " A" 18 . CA " A" 18 . C parsed_6k4w 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.00 12.22 . " A" 18 . N " A" 18 . CA " A" 18 . C " A" 19 . N parsed_6k4w 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -32.60 . " A" 18 . C " A" 19 . N " A" 19 . CA " A" 19 . C parsed_6k4w 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 10.22 . " A" 19 . N " A" 19 . CA " A" 19 . C " A" 20 . N parsed_6k4w 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.06 . " A" 19 . C " A" 20 . N " A" 20 . CA " A" 20 . C parsed_6k4w 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 18.04 . " A" 20 . N " A" 20 . CA " A" 20 . C " A" 21 . N parsed_6k4w 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -23.08 . " A" 20 . C " A" 21 . N " A" 21 . CA " A" 21 . C parsed_6k4w 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 0.52 . " A" 21 . N " A" 21 . CA " A" 21 . C " A" 22 . N parsed_6k4w 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -47.60 . " A" 21 . C " A" 22 . N " A" 22 . CA " A" 22 . C parsed_6k4w 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.00 16.78 . " A" 22 . N " A" 22 . CA " A" 22 . C " A" 23 . N parsed_6k4w 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.00 -37.38 . " A" 22 . C " A" 23 . N " A" 23 . CA " A" 23 . C parsed_6k4w 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.00 12.60 . " A" 23 . N " A" 23 . CA " A" 23 . C " A" 24 . N parsed_6k4w 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -31.64 . " A" 25 . C " A" 26 . N " A" 26 . CA " A" 26 . C parsed_6k4w 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 25.70 . " A" 26 . N " A" 26 . CA " A" 26 . C " A" 27 . N parsed_6k4w 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.00 -41.30 . " A" 28 . C " A" 29 . N " A" 29 . CA " A" 29 . C parsed_6k4w 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 170.04 . " A" 29 . N " A" 29 . CA " A" 29 . C " A" 30 . N parsed_6k4w 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.00 -89.84 . " A" 29 . C " A" 30 . N " A" 30 . CA " A" 30 . C parsed_6k4w 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 150.12 . " A" 30 . N " A" 30 . CA " A" 30 . C " A" 31 . N parsed_6k4w 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -80.50 . " A" 30 . C " A" 31 . N " A" 31 . CA " A" 31 . C parsed_6k4w 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 177.00 . " A" 31 . N " A" 31 . CA " A" 31 . C " A" 32 . N parsed_6k4w 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -109.86 . " A" 31 . C " A" 32 . N " A" 32 . CA " A" 32 . C parsed_6k4w 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.00 195.26 . " A" 32 . N " A" 32 . CA " A" 32 . C " A" 33 . N parsed_6k4w 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -80.52 . " A" 32 . C " A" 33 . N " A" 33 . CA " A" 33 . C parsed_6k4w 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 191.42 . " A" 33 . N " A" 33 . CA " A" 33 . C " A" 34 . N parsed_6k4w 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -49.68 . " A" 33 . C " A" 34 . N " A" 34 . CA " A" 34 . C parsed_6k4w 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 162.18 . " A" 34 . N " A" 34 . CA " A" 34 . C " A" 35 . N parsed_6k4w 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.00 70.00 . " A" 34 . C " A" 35 . N " A" 35 . CA " A" 35 . C parsed_6k4w 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.00 69.06 . " A" 35 . N " A" 35 . CA " A" 35 . C " A" 36 . N parsed_6k4w 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.00 108.70 . " A" 35 . C " A" 36 . N " A" 36 . CA " A" 36 . C parsed_6k4w 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -20.00 30.84 . " A" 36 . N " A" 36 . CA " A" 36 . C " A" 37 . N parsed_6k4w 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -99.92 . " A" 36 . C " A" 37 . N " A" 37 . CA " A" 37 . C parsed_6k4w 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.00 160.00 . " A" 37 . N " A" 37 . CA " A" 37 . C " A" 38 . N parsed_6k4w 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.00 -41.14 . " A" 37 . C " A" 38 . N " A" 38 . CA " A" 38 . C parsed_6k4w 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 160.18 . " A" 38 . N " A" 38 . CA " A" 38 . C " A" 39 . N parsed_6k4w 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.00 -74.22 . " A" 38 . C " A" 39 . N " A" 39 . CA " A" 39 . C parsed_6k4w 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 141.54 . " A" 39 . N " A" 39 . CA " A" 39 . C " A" 40 . N parsed_6k4w 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -63.82 . " A" 39 . C " A" 40 . N " A" 40 . CA " A" 40 . C parsed_6k4w 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 166.48 . " A" 40 . N " A" 40 . CA " A" 40 . C " A" 41 . N parsed_6k4w 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -79.72 . " A" 40 . C " A" 41 . N " A" 41 . CA " A" 41 . C parsed_6k4w 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 165.10 . " A" 41 . N " A" 41 . CA " A" 41 . C " A" 42 . N parsed_6k4w 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -62.06 . " A" 41 . C " A" 42 . N " A" 42 . CA " A" 42 . C parsed_6k4w 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 172.70 . " A" 42 . N " A" 42 . CA " A" 42 . C " A" 43 . N parsed_6k4w 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -12.52 . " A" 42 . C " A" 43 . N " A" 43 . CA " A" 43 . C parsed_6k4w 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.00 169.40 . " A" 43 . N " A" 43 . CA " A" 43 . C " A" 44 . N parsed_6k4w 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 "# Restraints file 1: 1_1.tbl" 1 1 1 28 parsed_6k4w 1
stop_
save_
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