NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | item_count |
|
|
29068 |
1ah9   |
cing | recoord | 2-parsed | STAR | dihedral angle | 78 |
data_1ah9_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1ah9
_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_1ah9 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1ah9
_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 1ah9 "Master copy" parsed_1ah9
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1ah9
_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 1ah9.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1ah9 1
1 1ah9.mr . . DISCOVER 2 stereochemistry prochirality "Not applicable" 0 parsed_1ah9 1
1 1ah9.mr . . DISCOVER 3 stereochemistry chirality "Not applicable" 0 parsed_1ah9 1
1 1ah9.mr . . DISCOVER 4 distance NOE simple 1041 parsed_1ah9 1
1 1ah9.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1ah9 1
1 1ah9.mr . . DISCOVER 6 "dihedral angle" "Not applicable" "Not applicable" 78 parsed_1ah9 1
1 1ah9.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1ah9 1
stop_
save_
save_Discover_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1ah9
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 6
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.000 0.000 . 1 12 VAL N 1 12 VAL CA 1 12 VAL CB 1 12 VAL CG1 parsed_1ah9 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.000 0.000 . 1 23 VAL N 1 23 VAL CA 1 23 VAL CB 1 23 VAL CG1 parsed_1ah9 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.000 0.000 . 1 30 VAL N 1 30 VAL CA 1 30 VAL CB 1 30 VAL CG1 parsed_1ah9 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.000 120.000 . 1 31 VAL N 1 31 VAL CA 1 31 VAL CB 1 31 VAL CG1 parsed_1ah9 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.000 120.000 . 1 52 VAL N 1 52 VAL CA 1 52 VAL CB 1 52 VAL CG1 parsed_1ah9 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.000 0.000 . 1 54 VAL N 1 54 VAL CA 1 54 VAL CB 1 54 VAL CG1 parsed_1ah9 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.000 120.000 . 1 67 VAL N 1 67 VAL CA 1 67 VAL CB 1 67 VAL CG1 parsed_1ah9 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.000 -80.000 . 1 2 LYS C 1 3 GLU N 1 3 GLU CA 1 3 GLU C parsed_1ah9 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.000 -80.000 . 1 6 ILE C 1 7 GLU N 1 7 GLU CA 1 7 GLU C parsed_1ah9 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -40.000 . 1 11 THR C 1 12 VAL N 1 12 VAL CA 1 12 VAL C parsed_1ah9 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.000 -80.000 . 1 14 GLU C 1 15 THR N 1 15 THR CA 1 15 THR C parsed_1ah9 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.000 -80.000 . 1 15 THR C 1 16 LEU N 1 16 LEU CA 1 16 LEU C parsed_1ah9 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.000 -100.000 . 1 19 THR C 1 20 MET N 1 20 MET CA 1 20 MET C parsed_1ah9 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.000 -80.000 . 1 20 MET C 1 21 PHE N 1 21 PHE CA 1 21 PHE C parsed_1ah9 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.000 -80.000 . 1 21 PHE C 1 22 ARG N 1 22 ARG CA 1 22 ARG C parsed_1ah9 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.000 -80.000 . 1 22 ARG C 1 23 VAL N 1 23 VAL CA 1 23 VAL C parsed_1ah9 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -40.000 . 1 24 GLU C 1 25 LEU N 1 25 LEU CA 1 25 LEU C parsed_1ah9 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -40.000 . 1 25 LEU C 1 26 GLU N 1 26 GLU CA 1 26 GLU C parsed_1ah9 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.000 -80.000 . 1 29 HIS C 1 30 VAL N 1 30 VAL CA 1 30 VAL C parsed_1ah9 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.000 -80.000 . 1 30 VAL C 1 31 VAL N 1 31 VAL CA 1 31 VAL C parsed_1ah9 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.000 -80.000 . 1 31 VAL C 1 32 THR N 1 32 THR CA 1 32 THR C parsed_1ah9 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.000 -80.000 . 1 32 THR C 1 33 ALA N 1 33 ALA CA 1 33 ALA C parsed_1ah9 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.000 -80.000 . 1 33 ALA C 1 34 HIS N 1 34 HIS CA 1 34 HIS C parsed_1ah9 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.000 -80.000 . 1 35 ILE C 1 36 SER N 1 36 SER CA 1 36 SER C parsed_1ah9 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -40.000 . 1 37 GLY C 1 38 LYS N 1 38 LYS CA 1 38 LYS C parsed_1ah9 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -40.000 . 1 39 MET C 1 40 ARG N 1 40 ARG CA 1 40 ARG C parsed_1ah9 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -40.000 . 1 40 ARG C 1 41 LYS N 1 41 LYS CA 1 41 LYS C parsed_1ah9 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.000 -80.000 . 1 43 TYR C 1 44 ILE N 1 44 ILE CA 1 44 ILE C parsed_1ah9 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.000 -80.000 . 1 45 ARG C 1 46 ILE N 1 46 ILE CA 1 46 ILE C parsed_1ah9 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.000 -80.000 . 1 46 ILE C 1 47 LEU N 1 47 LEU CA 1 47 LEU C parsed_1ah9 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -40.000 . 1 47 LEU C 1 48 THR N 1 48 THR CA 1 48 THR C parsed_1ah9 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -40.000 . 1 49 GLY C 1 50 ASP N 1 50 ASP CA 1 50 ASP C parsed_1ah9 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.000 -80.000 . 1 52 VAL C 1 53 THR N 1 53 THR CA 1 53 THR C parsed_1ah9 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.000 -80.000 . 1 53 THR C 1 54 VAL N 1 54 VAL CA 1 54 VAL C parsed_1ah9 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.000 -80.000 . 1 58 PRO C 1 59 TYR N 1 59 TYR CA 1 59 TYR C parsed_1ah9 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -40.000 . 1 60 ASP C 1 61 LEU N 1 61 LEU CA 1 61 LEU C parsed_1ah9 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.000 -80.000 . 1 62 SER C 1 63 LYS N 1 63 LYS CA 1 63 LYS C parsed_1ah9 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.000 -80.000 . 1 64 GLY C 1 65 ARG N 1 65 ARG CA 1 65 ARG C parsed_1ah9 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -40.000 . 1 66 ILE C 1 67 VAL N 1 67 VAL CA 1 67 VAL C parsed_1ah9 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.000 -50.000 . 1 3 GLU C 1 4 ASP N 1 4 ASP CA 1 4 ASP C parsed_1ah9 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.000 -50.000 . 1 4 ASP C 1 5 ASN N 1 5 ASN CA 1 5 ASN C parsed_1ah9 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.000 -55.000 . 1 5 ASN C 1 6 ILE N 1 6 ILE CA 1 6 ILE C parsed_1ah9 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.000 -55.000 . 1 7 GLU C 1 8 MET N 1 8 MET CA 1 8 MET C parsed_1ah9 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.000 -45.000 . 1 8 MET C 1 9 GLN N 1 9 GLN CA 1 9 GLN C parsed_1ah9 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.000 -50.000 . 1 12 VAL C 1 13 LEU N 1 13 LEU CA 1 13 LEU C parsed_1ah9 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.000 -55.000 . 1 13 LEU C 1 14 GLU N 1 14 GLU CA 1 14 GLU C parsed_1ah9 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.000 -50.000 . 1 18 ASN C 1 19 THR N 1 19 THR CA 1 19 THR C parsed_1ah9 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.000 -55.000 . 1 23 VAL C 1 24 GLU N 1 24 GLU CA 1 24 GLU C parsed_1ah9 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.000 -40.000 . 1 26 GLU C 1 27 ASN N 1 27 ASN CA 1 27 ASN C parsed_1ah9 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.000 -50.000 . 1 28 GLY C 1 29 HIS N 1 29 HIS CA 1 29 HIS C parsed_1ah9 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.000 -50.000 . 1 34 HIS C 1 35 ILE N 1 35 ILE CA 1 35 ILE C parsed_1ah9 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.000 -45.000 . 1 38 LYS C 1 39 MET N 1 39 MET CA 1 39 MET C parsed_1ah9 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.000 -60.000 . 1 41 LYS C 1 42 ASN N 1 42 ASN CA 1 42 ASN C parsed_1ah9 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.000 -50.000 . 1 42 ASN C 1 43 TYR N 1 43 TYR CA 1 43 TYR C parsed_1ah9 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.000 -50.000 . 1 44 ILE C 1 45 ARG N 1 45 ARG CA 1 45 ARG C parsed_1ah9 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.000 -50.000 . 1 50 ASP C 1 51 LYS N 1 51 LYS CA 1 51 LYS C parsed_1ah9 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.000 -55.000 . 1 54 VAL C 1 55 GLU N 1 55 GLU CA 1 55 GLU C parsed_1ah9 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.000 -50.000 . 1 55 GLU C 1 56 LEU N 1 56 LEU CA 1 56 LEU C parsed_1ah9 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.000 -50.000 . 1 56 LEU C 1 57 THR N 1 57 THR CA 1 57 THR C parsed_1ah9 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.000 -55.000 . 1 59 TYR C 1 60 ASP N 1 60 ASP CA 1 60 ASP C parsed_1ah9 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.000 -55.000 . 1 61 LEU C 1 62 SER N 1 62 SER CA 1 62 SER C parsed_1ah9 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.000 -45.000 . 1 69 ARG C 1 70 SER N 1 70 SER CA 1 70 SER C parsed_1ah9 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.000 -55.000 . 1 70 SER C 1 71 ARG N 1 71 ARG CA 1 71 ARG C parsed_1ah9 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.000 105.000 . 1 7 GLU N 1 7 GLU CA 1 7 GLU CB 1 7 GLU CG parsed_1ah9 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.000 -135.000 . 1 8 MET N 1 8 MET CA 1 8 MET CB 1 8 MET CG parsed_1ah9 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.000 -15.000 . 1 9 GLN N 1 9 GLN CA 1 9 GLN CB 1 9 GLN CG parsed_1ah9 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.000 -15.000 . 1 13 LEU N 1 13 LEU CA 1 13 LEU CB 1 13 LEU CG parsed_1ah9 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.000 -135.000 . 1 16 LEU N 1 16 LEU CA 1 16 LEU CB 1 16 LEU CG parsed_1ah9 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.000 -15.000 . 1 18 ASN N 1 18 ASN CA 1 18 ASN CB 1 18 ASN CG parsed_1ah9 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.000 -15.000 . 1 21 PHE N 1 21 PHE CA 1 21 PHE CB 1 21 PHE CG parsed_1ah9 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.000 -135.000 . 1 25 LEU N 1 25 LEU CA 1 25 LEU CB 1 25 LEU CG parsed_1ah9 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.000 105.000 . 1 26 GLU N 1 26 GLU CA 1 26 GLU CB 1 26 GLU CG parsed_1ah9 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.000 105.000 . 1 34 HIS N 1 34 HIS CA 1 34 HIS CB 1 34 HIS CG parsed_1ah9 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.000 105.000 . 1 36 SER N 1 36 SER CA 1 36 SER CB 1 36 SER OG parsed_1ah9 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.000 105.000 . 1 39 MET N 1 39 MET CA 1 39 MET CB 1 39 MET CG parsed_1ah9 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.000 -15.000 . 1 41 LYS N 1 41 LYS CA 1 41 LYS CB 1 41 LYS CG parsed_1ah9 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.000 -135.000 . 1 55 GLU N 1 55 GLU CA 1 55 GLU CB 1 55 GLU CG parsed_1ah9 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.000 105.000 . 1 65 ARG N 1 65 ARG CA 1 65 ARG CB 1 65 ARG CG parsed_1ah9 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_1ah9 1
stop_
save_
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