NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
32789 |
1h0t   |
cing | 2-parsed | STAR | dihedral angle | 37 |
data_1h0t_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1h0t
_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_1h0t 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1h0t
_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 1h0t "Master copy" parsed_1h0t
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1h0t
_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 1h0t.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1h0t 1
1 1h0t.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 18 parsed_1h0t 1
1 1h0t.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 37 parsed_1h0t 1
1 1h0t.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 37 parsed_1h0t 1
1 1h0t.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1h0t 1
1 1h0t.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1h0t 1
1 1h0t.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1h0t 1
1 1h0t.mr . . XPLOR/CNS 8 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1h0t 1
1 1h0t.mr . . XPLOR/CNS 9 distance "hydrogen bond" simple 0 parsed_1h0t 1
1 1h0t.mr . . XPLOR/CNS 10 distance "hydrogen bond" simple 0 parsed_1h0t 1
1 1h0t.mr . . XPLOR/CNS 11 distance NOE simple 0 parsed_1h0t 1
1 1h0t.mr . . XPLOR/CNS 12 distance NOE simple 0 parsed_1h0t 1
1 1h0t.mr . . XPLOR/CNS 13 distance NOE simple 0 parsed_1h0t 1
1 1h0t.mr . . "MR format" 14 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1h0t 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1h0t
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 65 209 . ZSPA 2 . n ZSPA 2 . ca ZSPA 2 . c ZSPA 3 . n parsed_1h0t 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79 1 . ZSPA 7 . n ZSPA 7 . ca ZSPA 7 . c ZSPA 8 . n parsed_1h0t 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66 -10 . ZSPA 8 . n ZSPA 8 . ca ZSPA 8 . c ZSPA 9 . n parsed_1h0t 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72 -8 . ZSPA 9 . n ZSPA 9 . ca ZSPA 9 . c ZSPA 10 . n parsed_1h0t 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76 -4 . ZSPA 10 . n ZSPA 10 . ca ZSPA 10 . c ZSPA 11 . n parsed_1h0t 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62 -14 . ZSPA 11 . n ZSPA 11 . ca ZSPA 11 . c ZSPA 12 . n parsed_1h0t 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68 -12 . ZSPA 12 . n ZSPA 12 . ca ZSPA 12 . c ZSPA 13 . n parsed_1h0t 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97 31 . ZSPA 14 . n ZSPA 14 . ca ZSPA 14 . c ZSPA 15 . n parsed_1h0t 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81 15 . ZSPA 17 . n ZSPA 17 . ca ZSPA 17 . c ZSPA 18 . n parsed_1h0t 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54 42 . ZSPA 18 . n ZSPA 18 . ca ZSPA 18 . c ZSPA 19 . n parsed_1h0t 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47 49 . ZSPA 21 . n ZSPA 21 . ca ZSPA 21 . c ZSPA 22 . n parsed_1h0t 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77 -5 . ZSPA 24 . n ZSPA 24 . ca ZSPA 24 . c ZSPA 25 . n parsed_1h0t 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67 -3 . ZSPA 25 . n ZSPA 25 . ca ZSPA 25 . c ZSPA 26 . n parsed_1h0t 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66 -18 . ZSPA 26 . n ZSPA 26 . ca ZSPA 26 . c ZSPA 27 . n parsed_1h0t 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -17 . ZSPA 27 . n ZSPA 27 . ca ZSPA 27 . c ZSPA 28 . n parsed_1h0t 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73 -17 . ZSPA 28 . n ZSPA 28 . ca ZSPA 28 . c ZSPA 29 . n parsed_1h0t 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74 -10 . ZSPA 29 . n ZSPA 29 . ca ZSPA 29 . c ZSPA 30 . n parsed_1h0t 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70 -14 . ZSPA 30 . n ZSPA 30 . ca ZSPA 30 . c ZSPA 31 . n parsed_1h0t 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83 -11 . ZSPA 31 . n ZSPA 31 . ca ZSPA 31 . c ZSPA 32 . n parsed_1h0t 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74 -10 . ZSPA 32 . n ZSPA 32 . ca ZSPA 32 . c ZSPA 33 . n parsed_1h0t 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64 -8 . ZSPA 33 . n ZSPA 33 . ca ZSPA 33 . c ZSPA 34 . n parsed_1h0t 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84 -4 . ZSPA 34 . n ZSPA 34 . ca ZSPA 34 . c ZSPA 35 . n parsed_1h0t 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83 5 . ZSPA 35 . n ZSPA 35 . ca ZSPA 35 . c ZSPA 36 . n parsed_1h0t 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94 34 . ZSPA 36 . n ZSPA 36 . ca ZSPA 36 . c ZSPA 37 . n parsed_1h0t 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74 -2 . ZSPA 41 . n ZSPA 41 . ca ZSPA 41 . c ZSPA 42 . n parsed_1h0t 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57 -17 . ZSPA 42 . n ZSPA 42 . ca ZSPA 42 . c ZSPA 43 . n parsed_1h0t 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75 -3 . ZSPA 43 . n ZSPA 43 . ca ZSPA 43 . c ZSPA 44 . n parsed_1h0t 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70 -6 . ZSPA 44 . n ZSPA 44 . ca ZSPA 44 . c ZSPA 45 . n parsed_1h0t 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79 -7 . ZSPA 45 . n ZSPA 45 . ca ZSPA 45 . c ZSPA 46 . n parsed_1h0t 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81 -9 . ZSPA 46 . n ZSPA 46 . ca ZSPA 46 . c ZSPA 47 . n parsed_1h0t 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -17 . ZSPA 47 . n ZSPA 47 . ca ZSPA 47 . c ZSPA 48 . n parsed_1h0t 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67 -11 . ZSPA 48 . n ZSPA 48 . ca ZSPA 48 . c ZSPA 49 . n parsed_1h0t 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60 -20 . ZSPA 49 . n ZSPA 49 . ca ZSPA 49 . c ZSPA 50 . n parsed_1h0t 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66 -10 . ZSPA 50 . n ZSPA 50 . ca ZSPA 50 . c ZSPA 51 . n parsed_1h0t 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60 -20 . ZSPA 51 . n ZSPA 51 . ca ZSPA 51 . c ZSPA 52 . n parsed_1h0t 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -17 . ZSPA 52 . n ZSPA 52 . ca ZSPA 52 . c ZSPA 53 . n parsed_1h0t 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66 6 . ZSPA 53 . n ZSPA 53 . ca ZSPA 53 . c ZSPA 54 . n parsed_1h0t 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 "ZSPAPA-1 Psi restratints from Talos (+/- 4xSD)" 1 1 5 2 parsed_1h0t 1
stop_
save_
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