NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
37519 |
1pqx   |
5844 | cing | 2-parsed | STAR | dihedral angle | 82 |
data_1pqx_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1pqx
_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_1pqx 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1pqx
_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 1pqx "Master copy" parsed_1pqx
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1pqx
_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 1pqx.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1pqx 1
1 1pqx.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1pqx 1
1 1pqx.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 97 parsed_1pqx 1
1 1pqx.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1pqx 1
1 1pqx.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 82 parsed_1pqx 1
1 1pqx.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1pqx 1
1 1pqx.mr . . XPLOR/CNS 7 distance "hydrogen bond" simple 0 parsed_1pqx 1
1 1pqx.mr . . XPLOR/CNS 8 distance NOE simple 0 parsed_1pqx 1
1 1pqx.mr . . n/a 9 comment "Not applicable" "Not applicable" 0 parsed_1pqx 1
1 1pqx.mr . . "MR format" 10 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1pqx 1
stop_
save_
save_CNS/XPLOR_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1pqx
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 5
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -184.01 -63.21 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_1pqx 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -314.78 -23.46 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_1pqx 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -262.80 -32.80 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_1pqx 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 66.38 290.60 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_1pqx 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.94 -20.46 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_1pqx 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -286.92 -61.46 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_1pqx 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.58 -59.42 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_1pqx 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -278.06 -75.94 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_1pqx 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -176.61 -65.73 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_1pqx 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -267.39 -69.89 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_1pqx 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.44 -15.80 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_1pqx 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -272.83 -75.53 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_1pqx 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -209.88 -11.88 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_1pqx 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -262.28 -78.64 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_1pqx 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -191.47 -3.07 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_1pqx 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -278.81 -51.23 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_1pqx 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.59 -38.27 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_1pqx 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -290.64 -35.78 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_1pqx 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.46 283.26 . . 29 . N . 29 . CA . 29 . C . 30 . N parsed_1pqx 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.48 -55.24 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_1pqx 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -287.00 -60.04 . . 30 . N . 30 . CA . 30 . C . 31 . N parsed_1pqx 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.45 -22.49 . . 37 . C . 38 . N . 38 . CA . 38 . C parsed_1pqx 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -328.97 14.27 . . 38 . N . 38 . CA . 38 . C . 39 . N parsed_1pqx 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.18 -11.78 . . 40 . C . 41 . N . 41 . CA . 41 . C parsed_1pqx 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.79 6.55 . . 41 . N . 41 . CA . 41 . C . 42 . N parsed_1pqx 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.92 -43.44 . . 42 . C . 43 . N . 43 . CA . 43 . C parsed_1pqx 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.72 -33.56 . . 43 . N . 43 . CA . 43 . C . 44 . N parsed_1pqx 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.98 -38.06 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_1pqx 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.92 -36.50 . . 44 . N . 44 . CA . 44 . C . 45 . N parsed_1pqx 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.55 -39.27 . . 44 . C . 45 . N . 45 . CA . 45 . C parsed_1pqx 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.64 -33.02 . . 45 . N . 45 . CA . 45 . C . 46 . N parsed_1pqx 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.15 -34.63 . . 45 . C . 46 . N . 46 . CA . 46 . C parsed_1pqx 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.27 -37.79 . . 46 . N . 46 . CA . 46 . C . 47 . N parsed_1pqx 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.23 -1.99 . . 47 . C . 48 . N . 48 . CA . 48 . C parsed_1pqx 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -296.21 -20.99 . . 48 . N . 48 . CA . 48 . C . 49 . N parsed_1pqx 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.62 -11.58 . . 50 . C . 51 . N . 51 . CA . 51 . C parsed_1pqx 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -283.40 -28.42 . . 51 . N . 51 . CA . 51 . C . 52 . N parsed_1pqx 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -177.63 -85.87 . . 53 . C . 54 . N . 54 . CA . 54 . C parsed_1pqx 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 37.69 316.45 . . 54 . N . 54 . CA . 54 . C . 55 . N parsed_1pqx 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -184.11 -48.11 . . 54 . C . 55 . N . 55 . CA . 55 . C parsed_1pqx 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -267.48 -80.24 . . 55 . N . 55 . CA . 55 . C . 56 . N parsed_1pqx 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.80 -23.84 . . 55 . C . 56 . N . 56 . CA . 56 . C parsed_1pqx 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -286.68 -57.64 . . 56 . N . 56 . CA . 56 . C . 57 . N parsed_1pqx 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -212.29 -21.89 . . 56 . C . 57 . N . 57 . CA . 57 . C parsed_1pqx 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -301.42 -33.10 . . 57 . N . 57 . CA . 57 . C . 58 . N parsed_1pqx 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -197.01 -71.57 . . 59 . C . 60 . N . 60 . CA . 60 . C parsed_1pqx 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -266.81 -72.09 . . 60 . N . 60 . CA . 60 . C . 61 . N parsed_1pqx 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -202.51 -38.83 . . 60 . C . 61 . N . 61 . CA . 61 . C parsed_1pqx 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -293.49 -48.47 . . 61 . N . 61 . CA . 61 . C . 62 . N parsed_1pqx 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -184.04 -60.12 . . 62 . C . 63 . N . 63 . CA . 63 . C parsed_1pqx 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -273.75 -83.33 . . 63 . N . 63 . CA . 63 . C . 64 . N parsed_1pqx 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -202.00 -10.64 . . 63 . C . 64 . N . 64 . CA . 64 . C parsed_1pqx 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -280.52 -48.40 . . 64 . N . 64 . CA . 64 . C . 65 . N parsed_1pqx 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166.68 11.56 . . 65 . C . 66 . N . 66 . CA . 66 . C parsed_1pqx 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -279.08 -10.00 . . 66 . N . 66 . CA . 66 . C . 67 . N parsed_1pqx 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.66 -21.18 . . 66 . C . 67 . N . 67 . CA . 67 . C parsed_1pqx 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.28 -22.90 . . 67 . N . 67 . CA . 67 . C . 68 . N parsed_1pqx 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.37 -26.29 . . 67 . C . 68 . N . 68 . CA . 68 . C parsed_1pqx 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.87 -34.29 . . 68 . N . 68 . CA . 68 . C . 69 . N parsed_1pqx 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -177.49 -28.61 . . 69 . C . 70 . N . 70 . CA . 70 . C parsed_1pqx 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -313.71 -22.93 . . 70 . N . 70 . CA . 70 . C . 71 . N parsed_1pqx 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.67 -34.31 . . 71 . C . 72 . N . 72 . CA . 72 . C parsed_1pqx 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.27 -22.67 . . 72 . N . 72 . CA . 72 . C . 73 . N parsed_1pqx 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -111.33 -22.61 . . 72 . C . 73 . N . 73 . CA . 73 . C parsed_1pqx 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.75 -46.41 . . 73 . N . 73 . CA . 73 . C . 74 . N parsed_1pqx 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.75 -46.35 . . 73 . C . 74 . N . 74 . CA . 74 . C parsed_1pqx 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.86 -39.48 . . 74 . N . 74 . CA . 74 . C . 75 . N parsed_1pqx 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.50 -49.54 . . 74 . C . 75 . N . 75 . CA . 75 . C parsed_1pqx 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.68 -33.62 . . 75 . N . 75 . CA . 75 . C . 76 . N parsed_1pqx 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.70 -31.80 . . 76 . N . 76 . CA . 76 . C . 77 . N parsed_1pqx 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.05 -50.21 . . 76 . C . 77 . N . 77 . CA . 77 . C parsed_1pqx 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.38 -41.46 . . 77 . N . 77 . CA . 77 . C . 78 . N parsed_1pqx 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.42 -28.50 . . 77 . C . 78 . N . 78 . CA . 78 . C parsed_1pqx 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.14 -33.62 . . 78 . N . 78 . CA . 78 . C . 79 . N parsed_1pqx 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.78 -35.94 . . 78 . C . 79 . N . 79 . CA . 79 . C parsed_1pqx 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.01 -18.65 . . 79 . N . 79 . CA . 79 . C . 80 . N parsed_1pqx 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.95 -42.87 . . 79 . C . 80 . N . 80 . CA . 80 . C parsed_1pqx 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.69 -34.55 . . 80 . N . 80 . CA . 80 . C . 81 . N parsed_1pqx 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.58 -41.34 . . 80 . C . 81 . N . 81 . CA . 81 . C parsed_1pqx 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.65 -30.41 . . 81 . N . 81 . CA . 81 . C . 82 . N parsed_1pqx 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.77 -32.81 . . 85 . C . 86 . N . 86 . CA . 86 . C parsed_1pqx 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -311.45 3.39 . . 86 . N . 86 . CA . 86 . C . 87 . N parsed_1pqx 1
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