NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
627163 |
5ydy   |
36115 | cing | 2-parsed | STAR | dihedral angle | 37 |
data_5ydy_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5ydy
_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_5ydy 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5ydy
_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 5ydy "Master copy" parsed_5ydy
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5ydy
_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 5ydy.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5ydy 1
1 5ydy.mr . . XPLOR/CNS 2 distance NOE simple 434 parsed_5ydy 1
1 5ydy.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 12 parsed_5ydy 1
1 5ydy.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 37 parsed_5ydy 1
1 5ydy.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5ydy 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5ydy
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 72.0 112.0 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_5ydy 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -23.0 21.0 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_5ydy 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168.0 -48.0 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_5ydy 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 133.0 185.0 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_5ydy 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -181.0 -73.0 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_5ydy 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.0 170.0 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_5ydy 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -60.0 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_5ydy 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 83.0 163.0 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_5ydy 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.0 -71.0 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_5ydy 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 69.0 189.0 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_5ydy 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.0 -98.0 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_5ydy 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.0 161.0 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_5ydy 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -176.0 -52.0 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_5ydy 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 133.0 201.0 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_5ydy 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.0 -37.0 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_5ydy 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.0 -1.0 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_5ydy 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -112.0 -72.0 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_5ydy 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 145.0 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_5ydy 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.0 -85.0 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_5ydy 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 136.0 176.0 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_5ydy 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166.0 -82.0 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_5ydy 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.0 166.0 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_5ydy 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142.0 -66.0 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_5ydy 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.0 165.0 . . 28 . N . 28 . CA . 28 . C . 29 . N parsed_5ydy 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.0 -35.0 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_5ydy 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 185.0 . . 29 . N . 29 . CA . 29 . C . 30 . N parsed_5ydy 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -37.0 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_5ydy 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -116.0 -76.0 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_5ydy 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -25.0 27.0 . . 32 . N . 32 . CA . 32 . C . 33 . N parsed_5ydy 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.0 -79.0 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_5ydy 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 180.0 . . 34 . N . 34 . CA . 34 . C . 35 . N parsed_5ydy 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -167.0 -95.0 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_5ydy 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 143.0 183.0 . . 35 . N . 35 . CA . 35 . C . 36 . N parsed_5ydy 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168.0 -104.0 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_5ydy 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.0 158.0 . . 38 . N . 38 . CA . 38 . C . 39 . N parsed_5ydy 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -122.0 -30.0 . . 38 . C . 39 . N . 39 . CA . 39 . C parsed_5ydy 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 91.0 171.0 . . 39 . N . 39 . CA . 39 . C . 40 . N parsed_5ydy 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
;
assign (resid 22 and name N ) (resid 22 and name CA )
(resid 22 and name C ) (resid 23 and name N ) 1.0 -4.0 28.0 2
assign (resid 22 and name C ) (resid 23 and name N )
(resid 23 and name CA ) (resid 23 and name C ) 1.0 93.0 20.0 2
assign (resid 23 and name N ) (resid 23 and name CA )
(resid 23 and name C ) (resid 24 and name N ) 1.0 -4.0 22.0 2
assign (resid 23 and name C ) (resid 24 and name N )
(resid 24 and name CA ) (resid 24 and name C ) 1.0 -87.0 32.0 2
assign (resid 24 and name N ) (resid 24 and name CA )
(resid 24 and name C ) (resid 25 and name N ) 1.0 147.0 22.0 2
assign (resid 24 and name C ) (resid 25 and name N )
(resid 25 and name CA ) (resid 25 and name C ) 1.0 -109.0 44.0 2
;
35 1 46 87 parsed_5ydy 1
2
;
assign (resid 30 and name N ) (resid 30 and name CA )
(resid 30 and name C ) (resid 31 and name N ) 1.0 -34.0 36.0 2
assign (resid 30 and name C ) (resid 31 and name N )
(resid 31 and name CA ) (resid 31 and name C ) 1.0 -61.0 20.0 2
assign (resid 31 and name N ) (resid 31 and name CA )
(resid 31 and name C ) (resid 32 and name N ) 1.0 -38.0 20.0 2
;
67 1 72 87 parsed_5ydy 1
3
;
assign (resid 36 and name N ) (resid 36 and name CA )
(resid 36 and name C ) (resid 37 and name N ) 1.0 141.0 36.0 2
assign (resid 36 and name C ) (resid 37 and name N )
(resid 37 and name CA ) (resid 37 and name C ) 1.0 -109.0 46.0 2
assign (resid 37 and name N ) (resid 37 and name CA )
(resid 37 and name C ) (resid 38 and name N ) 1.0 147.0 20.0 2
assign (resid 37 and name C ) (resid 38 and name N )
(resid 38 and name CA ) (resid 38 and name C ) 1.0 -103.0 56.0 2
;
87 1 94 87 parsed_5ydy 1
stop_
save_
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