NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
583037 |
2mp5   |
19963 | cing | 2-parsed | STAR | dihedral angle | 82 |
data_2mp5_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mp5
_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_2mp5 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mp5
_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 2mp5 "Master copy" parsed_2mp5
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mp5
_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 2mp5.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mp5 1
1 2mp5.mr . . XPLOR/CNS 2 distance NOE simple 1561 parsed_2mp5 1
1 2mp5.mr . . XPLOR/CNS 3 distance NOE ambi 24 parsed_2mp5 1
1 2mp5.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 30 parsed_2mp5 1
1 2mp5.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 82 parsed_2mp5 1
1 2mp5.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mp5 1
stop_
save_
save_CNS/XPLOR_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2mp5
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.6 -54.8 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_2mp5 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.4 150.4 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_2mp5 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -121.9 -81.3 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_2mp5 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 85.4 150.0 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_2mp5 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.1 -63.5 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_2mp5 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.9 151.1 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_2mp5 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -128.9 -48.3 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_2mp5 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.8 -40.8 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_2mp5 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.5 4.9 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_2mp5 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 32.4 91.6 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_2mp5 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11.1 63.7 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_2mp5 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.4 -47.8 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_2mp5 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.6 161.4 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_2mp5 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.6 -79.2 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_2mp5 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.4 183.2 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_2mp5 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.4 -18.0 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_2mp5 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 65.0 199.4 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_2mp5 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.7 -33.5 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_2mp5 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.8 -13.8 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_2mp5 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.3 -46.3 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_2mp5 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.8 -9.8 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_2mp5 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.3 -60.3 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_2mp5 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.3 22.1 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_2mp5 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -173.7 -47.1 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_2mp5 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.1 164.5 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_2mp5 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134.8 -52.4 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_2mp5 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.0 35.4 . . 28 . N . 28 . CA . 28 . C . 29 . N parsed_2mp5 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -112.3 -57.9 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_2mp5 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 71.4 155.8 . . 30 . N . 30 . CA . 30 . C . 31 . N parsed_2mp5 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.1 -37.1 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_2mp5 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.0 -6.6 . . 31 . N . 31 . CA . 31 . C . 32 . N parsed_2mp5 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.9 -40.3 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_2mp5 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.7 -0.9 . . 32 . N . 32 . CA . 32 . C . 33 . N parsed_2mp5 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.1 -80.7 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_2mp5 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.3 42.9 . . 33 . N . 33 . CA . 33 . C . 34 . N parsed_2mp5 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.2 -38.2 . . 37 . C . 38 . N . 38 . CA . 38 . C parsed_2mp5 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.2 160.2 . . 38 . N . 38 . CA . 38 . C . 39 . N parsed_2mp5 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113.5 -62.7 . . 40 . C . 41 . N . 41 . CA . 41 . C parsed_2mp5 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.8 16.2 . . 41 . N . 41 . CA . 41 . C . 42 . N parsed_2mp5 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.6 -41.6 . . 45 . C . 46 . N . 46 . CA . 46 . C parsed_2mp5 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.7 -5.7 . . 46 . N . 46 . CA . 46 . C . 47 . N parsed_2mp5 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.6 -54.2 . . 46 . C . 47 . N . 47 . CA . 47 . C parsed_2mp5 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -33.4 37.6 . . 47 . N . 47 . CA . 47 . C . 48 . N parsed_2mp5 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.9 -68.7 . . 47 . C . 48 . N . 48 . CA . 48 . C parsed_2mp5 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.2 158.2 . . 48 . N . 48 . CA . 48 . C . 49 . N parsed_2mp5 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -182.6 -60.0 . . 48 . C . 49 . N . 49 . CA . 49 . C parsed_2mp5 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.9 143.9 . . 49 . N . 49 . CA . 49 . C . 50 . N parsed_2mp5 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 45.9 90.9 . . 50 . C . 51 . N . 51 . CA . 51 . C parsed_2mp5 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -20.0 46.4 . . 51 . N . 51 . CA . 51 . C . 52 . N parsed_2mp5 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.8 -72.0 . . 51 . C . 52 . N . 52 . CA . 52 . C parsed_2mp5 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.7 176.7 . . 52 . N . 52 . CA . 52 . C . 53 . N parsed_2mp5 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.8 -51.6 . . 52 . C . 53 . N . 53 . CA . 53 . C parsed_2mp5 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 81.6 168.4 . . 53 . N . 53 . CA . 53 . C . 54 . N parsed_2mp5 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 66.4 116.2 . . 56 . C . 57 . N . 57 . CA . 57 . C parsed_2mp5 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.4 17.8 . . 57 . N . 57 . CA . 57 . C . 58 . N parsed_2mp5 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.1 -45.9 . . 57 . C . 58 . N . 58 . CA . 58 . C parsed_2mp5 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.8 145.8 . . 58 . N . 58 . CA . 58 . C . 59 . N parsed_2mp5 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -111.0 -45.4 . . 58 . C . 59 . N . 59 . CA . 59 . C parsed_2mp5 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 93.9 162.7 . . 59 . N . 59 . CA . 59 . C . 60 . N parsed_2mp5 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.7 -46.7 . . 60 . C . 61 . N . 61 . CA . 61 . C parsed_2mp5 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.8 181.6 . . 61 . N . 61 . CA . 61 . C . 62 . N parsed_2mp5 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.4 158.8 . . 62 . N . 62 . CA . 62 . C . 63 . N parsed_2mp5 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.1 -44.9 . . 66 . C . 67 . N . 67 . CA . 67 . C parsed_2mp5 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.6 37.8 . . 67 . N . 67 . CA . 67 . C . 68 . N parsed_2mp5 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -118.1 -50.5 . . 67 . C . 68 . N . 68 . CA . 68 . C parsed_2mp5 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.4 40.4 . . 68 . N . 68 . CA . 68 . C . 69 . N parsed_2mp5 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.2 -70.8 . . 69 . C . 70 . N . 70 . CA . 70 . C parsed_2mp5 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.9 190.1 . . 70 . N . 70 . CA . 70 . C . 71 . N parsed_2mp5 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.6 -92.0 . . 70 . C . 71 . N . 71 . CA . 71 . C parsed_2mp5 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.2 183.4 . . 71 . N . 71 . CA . 71 . C . 72 . N parsed_2mp5 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.5 -70.1 . . 72 . C . 73 . N . 73 . CA . 73 . C parsed_2mp5 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -25.1 36.9 . . 73 . N . 73 . CA . 73 . C . 74 . N parsed_2mp5 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 42.9 95.3 . . 73 . C . 74 . N . 74 . CA . 74 . C parsed_2mp5 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -6.7 58.1 . . 74 . N . 74 . CA . 74 . C . 75 . N parsed_2mp5 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.4 -58.8 . . 74 . C . 75 . N . 75 . CA . 75 . C parsed_2mp5 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.5 34.5 . . 75 . N . 75 . CA . 75 . C . 76 . N parsed_2mp5 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.2 -52.8 . . 76 . C . 77 . N . 77 . CA . 77 . C parsed_2mp5 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.9 11.7 . . 77 . N . 77 . CA . 77 . C . 78 . N parsed_2mp5 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.8 -42.2 . . 78 . C . 79 . N . 79 . CA . 79 . C parsed_2mp5 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.2 183.2 . . 79 . N . 79 . CA . 79 . C . 80 . N parsed_2mp5 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.8 -46.8 . . 79 . C . 80 . N . 80 . CA . 80 . C parsed_2mp5 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 129.1 169.1 . . 80 . N . 80 . CA . 80 . C . 81 . N parsed_2mp5 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1
;
#################################################################
BITISTATIN isoform "B"
DIHEDRAL CONSTRAINTS
#################################################################
;
1 1 7 67 parsed_2mp5 1
2 "error margins are set to conservative default values of double the standard deviation observed in TALOS+. capped at a minimum of +/-20 degree." 9 3 9 153 parsed_2mp5 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 "#" 9 1 9 1 parsed_2mp5 1
stop_
save_
Contact the webmaster for help, if required. Thursday, May 2, 2024 8:06:19 AM GMT (wattos1)