NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
54626 |
3usn   |
cing | 2-parsed | STAR | dihedral angle | 74 |
data_3usn_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_3usn
_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_3usn 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_3usn
_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 3usn "Master copy" parsed_3usn
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_3usn
_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 3usn.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_3usn 1
1 3usn.mr . . DISCOVER 2 stereochemistry chirality "Not applicable" 0 parsed_3usn 1
1 3usn.mr . . DISCOVER 3 distance "hydrogen bond" simple 90 parsed_3usn 1
1 3usn.mr . . DISCOVER 4 distance "general distance" simple 21 parsed_3usn 1
1 3usn.mr . . DISCOVER 5 distance NOE simple 356 parsed_3usn 1
1 3usn.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_3usn 1
1 3usn.mr . . DISCOVER 7 "dihedral angle" "Not applicable" "Not applicable" 74 parsed_3usn 1
1 3usn.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_3usn 1
stop_
save_
save_Discover_dihedral_7
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_3usn
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 7
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -80.000 . 1 47 PRO C 1 48 LEU N 1 48 LEU CA 1 48 LEU C parsed_3usn 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -80.000 . 1 48 LEU C 1 49 THR N 1 49 THR CA 1 49 THR C parsed_3usn 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -80.000 . 1 49 THR C 1 50 PHE N 1 50 PHE CA 1 50 PHE C parsed_3usn 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -80.000 . 1 50 PHE C 1 51 SER N 1 51 SER CA 1 51 SER C parsed_3usn 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -80.000 . 1 51 SER C 1 52 ARG N 1 52 ARG CA 1 52 ARG C parsed_3usn 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -80.000 . 1 52 ARG C 1 53 LEU N 1 53 LEU CA 1 53 LEU C parsed_3usn 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -80.000 . 1 53 LEU C 1 54 TYR N 1 54 TYR CA 1 54 TYR C parsed_3usn 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -80.000 . 1 12 LYS C 1 13 THR N 1 13 THR CA 1 13 THR C parsed_3usn 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -80.000 . 1 13 THR C 1 14 HISD N 1 14 HISD CA 1 14 HISD C parsed_3usn 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -80.000 . 1 14 HISD C 1 15 LEU N 1 15 LEU CA 1 15 LEU C parsed_3usn 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -80.000 . 1 15 LEU C 1 16 THR N 1 16 THR CA 1 16 THR C parsed_3usn 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -80.000 . 1 16 THR C 1 17 TYR N 1 17 TYR CA 1 17 TYR C parsed_3usn 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -80.000 . 1 17 TYR C 1 18 ARG N 1 18 ARG CA 1 18 ARG C parsed_3usn 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -80.000 . 1 18 ARG C 1 19 ILE N 1 19 ILE CA 1 19 ILE C parsed_3usn 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -80.000 . 1 59 ASP C 1 60 ILE N 1 60 ILE CA 1 60 ILE C parsed_3usn 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -80.000 . 1 60 ILE C 1 61 MET N 1 61 MET CA 1 61 MET C parsed_3usn 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -80.000 . 1 61 MET C 1 62 ILE N 1 62 ILE CA 1 62 ILE C parsed_3usn 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -80.000 . 1 62 ILE C 1 63 SER N 1 63 SER CA 1 63 SER C parsed_3usn 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -80.000 . 1 63 SER C 1 64 PHE N 1 64 PHE CA 1 64 PHE C parsed_3usn 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -80.000 . 1 64 PHE C 1 65 ALA N 1 65 ALA CA 1 65 ALA C parsed_3usn 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -80.000 . 1 65 ALA C 1 66 VAL N 1 66 VAL CA 1 66 VAL C parsed_3usn 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -80.000 . 1 93 ASN C 1 94 GLY N 1 94 GLY CA 1 94 GLY C parsed_3usn 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -80.000 . 1 94 GLY C 1 95 ASP N 1 95 ASP CA 1 95 ASP C parsed_3usn 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -80.000 . 1 95 ASP C 1 96 ALA N 1 96 ALA CA 1 96 ALA C parsed_3usn 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -80.000 . 1 96 ALA C 1 97 HIS N 1 97 HIS CA 1 97 HIS C parsed_3usn 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -80.000 . 1 97 HIS C 1 98 PHE N 1 98 PHE CA 1 98 PHE C parsed_3usn 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -80.000 . 1 100 ASP C 1 101 ASP N 1 101 ASP CA 1 101 ASP C parsed_3usn 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -80.000 . 1 101 ASP C 1 102 GLU N 1 102 GLU CA 1 102 GLU C parsed_3usn 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -80.000 . 1 82 LEU C 1 83 ALA N 1 83 ALA CA 1 83 ALA C parsed_3usn 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -80.000 . 1 83 ALA C 1 84 HISD N 1 84 HISD CA 1 84 HISD C parsed_3usn 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -80.000 . 1 84 HISD C 1 85 ALA N 1 85 ALA CA 1 85 ALA C parsed_3usn 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -80.000 . 1 85 ALA C 1 86 TYR N 1 86 TYR CA 1 86 TYR C parsed_3usn 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -80.000 . 1 86 TYR C 1 87 ALA N 1 87 ALA CA 1 87 ALA C parsed_3usn 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -10.000 . 1 28 LYS C 1 29 ASP N 1 29 ASP CA 1 29 ASP C parsed_3usn 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -10.000 . 1 29 ASP C 1 30 ALA N 1 30 ALA CA 1 30 ALA C parsed_3usn 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -10.000 . 1 30 ALA C 1 31 VAL N 1 31 VAL CA 1 31 VAL C parsed_3usn 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -10.000 . 1 31 VAL C 1 32 ASP N 1 32 ASP CA 1 32 ASP C parsed_3usn 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -10.000 . 1 32 ASP C 1 33 SER N 1 33 SER CA 1 33 SER C parsed_3usn 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -10.000 . 1 33 SER C 1 34 ALA N 1 34 ALA CA 1 34 ALA C parsed_3usn 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -10.000 . 1 34 ALA C 1 35 VAL N 1 35 VAL CA 1 35 VAL C parsed_3usn 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -10.000 . 1 35 VAL C 1 36 GLU N 1 36 GLU CA 1 36 GLU C parsed_3usn 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -10.000 . 1 36 GLU C 1 37 LYS N 1 37 LYS CA 1 37 LYS C parsed_3usn 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -10.000 . 1 37 LYS C 1 38 ALA N 1 38 ALA CA 1 38 ALA C parsed_3usn 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -10.000 . 1 38 ALA C 1 39 LEU N 1 39 LEU CA 1 39 LEU C parsed_3usn 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -10.000 . 1 39 LEU C 1 40 LYS N 1 40 LYS CA 1 40 LYS C parsed_3usn 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -10.000 . 1 40 LYS C 1 41 VAL N 1 41 VAL CA 1 41 VAL C parsed_3usn 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -10.000 . 1 41 VAL C 1 42 TRP N 1 42 TRP CA 1 42 TRP C parsed_3usn 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -10.000 . 1 42 TRP C 1 43 GLU N 1 43 GLU CA 1 43 GLU C parsed_3usn 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -10.000 . 1 43 GLU C 1 44 GLU N 1 44 GLU CA 1 44 GLU C parsed_3usn 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -10.000 . 1 44 GLU C 1 45 VAL N 1 45 VAL CA 1 45 VAL C parsed_3usn 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -10.000 . 1 45 VAL C 1 46 THR N 1 46 THR CA 1 46 THR C parsed_3usn 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -10.000 . 1 114 PHE C 1 115 LEU N 1 115 LEU CA 1 115 LEU C parsed_3usn 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -10.000 . 1 115 LEU C 1 116 VAL N 1 116 VAL CA 1 116 VAL C parsed_3usn 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -10.000 . 1 116 VAL C 1 117 ALA N 1 117 ALA CA 1 117 ALA C parsed_3usn 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -10.000 . 1 117 ALA C 1 118 ALA N 1 118 ALA CA 1 118 ALA C parsed_3usn 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -10.000 . 1 118 ALA C 1 119 HISD N 1 119 HISD CA 1 119 HISD C parsed_3usn 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -10.000 . 1 119 HISD C 1 120 GLU N 1 120 GLU CA 1 120 GLU C parsed_3usn 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -10.000 . 1 120 GLU C 1 121 ILE N 1 121 ILE CA 1 121 ILE C parsed_3usn 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -10.000 . 1 121 ILE C 1 122 GLY N 1 122 GLY CA 1 122 GLY C parsed_3usn 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -10.000 . 1 122 GLY C 1 123 HISD N 1 123 HISD CA 1 123 HISD C parsed_3usn 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -10.000 . 1 123 HISD C 1 124 SER N 1 124 SER CA 1 124 SER C parsed_3usn 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -10.000 . 1 124 SER C 1 125 LEU N 1 125 LEU CA 1 125 LEU C parsed_3usn 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -10.000 . 1 154 GLN C 1 155 ASP N 1 155 ASP CA 1 155 ASP C parsed_3usn 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -10.000 . 1 155 ASP C 1 156 ASP N 1 156 ASP CA 1 156 ASP C parsed_3usn 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -10.000 . 1 156 ASP C 1 157 ILE N 1 157 ILE CA 1 157 ILE C parsed_3usn 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -10.000 . 1 157 ILE C 1 158 ASN N 1 158 ASN CA 1 158 ASN C parsed_3usn 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -10.000 . 1 158 ASN C 1 159 GLY N 1 159 GLY CA 1 159 GLY C parsed_3usn 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -10.000 . 1 159 GLY C 1 160 ILE N 1 160 ILE CA 1 160 ILE C parsed_3usn 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -10.000 . 1 160 ILE C 1 161 GLN N 1 161 GLN CA 1 161 GLN C parsed_3usn 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -10.000 . 1 161 GLN C 1 162 SER N 1 162 SER CA 1 162 SER C parsed_3usn 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -10.000 . 1 162 SER C 1 163 LEU N 1 163 LEU CA 1 163 LEU C parsed_3usn 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -10.000 . 1 163 LEU C 1 164 TYR N 1 164 TYR CA 1 164 TYR C parsed_3usn 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180.000 180.000 . 1 174 THIA HN 1 174 THIA N 1 174 THIA C 1 174 THIA O parsed_3usn 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180.000 180.000 . 1 174 THIA HN1 1 174 THIA N1 1 174 THIA C 1 174 THIA O parsed_3usn 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 NMR_dihedral 1 1 1 13 parsed_3usn 1
stop_
save_
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