NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
53791 |
2rpj   |
11346 | cing | 2-parsed | STAR | dihedral angle | 38 |
data_2rpj_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2rpj
_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_2rpj 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2rpj
_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 2rpj "Master copy" parsed_2rpj
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2rpj
_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 2rpj.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2rpj 1
1 2rpj.mr . . DYANA/DIANA 2 distance "hydrogen bond" simple 8 parsed_2rpj 1
1 2rpj.mr . . DYANA/DIANA 3 distance "general distance" simple 18 parsed_2rpj 1
1 2rpj.mr . . DYANA/DIANA 4 distance NOE simple 579 parsed_2rpj 1
1 2rpj.mr . . DYANA/DIANA 5 "dihedral angle" "Not applicable" "Not applicable" 38 parsed_2rpj 1
1 2rpj.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2rpj 1
stop_
save_
save_DYANA/DIANA_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2rpj
_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 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.9 -24.9 . . 18 ARG . . . . . . . . . . . . . parsed_2rpj 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.6 161.6 . . 18 ARG . . . . . . . . . . . . . parsed_2rpj 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.7 -105.7 . . 20 SER . . . . . . . . . . . . . parsed_2rpj 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.9 186.9 . . 20 SER . . . . . . . . . . . . . parsed_2rpj 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.1 -112.1 . . 21 SER . . . . . . . . . . . . . parsed_2rpj 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.2 162.2 . . 21 SER . . . . . . . . . . . . . parsed_2rpj 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.6 -44.6 . . 22 TRP . . . . . . . . . . . . . parsed_2rpj 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.4 162.4 . . 22 TRP . . . . . . . . . . . . . parsed_2rpj 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.6 -73.6 . . 23 SER . . . . . . . . . . . . . parsed_2rpj 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.1 146.1 . . 23 SER . . . . . . . . . . . . . parsed_2rpj 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.8 -30.9 . . 24 ALA . . . . . . . . . . . . . parsed_2rpj 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.6 2.4 . . 24 ALA . . . . . . . . . . . . . parsed_2rpj 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.3 -40.3 . . 25 ASP . . . . . . . . . . . . . parsed_2rpj 1
14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.0 1.0 . . 25 ASP . . . . . . . . . . . . . parsed_2rpj 1
15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -122.6 -62.6 . . 26 LEU . . . . . . . . . . . . . parsed_2rpj 1
16 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -33.7 26.3 . . 26 LEU . . . . . . . . . . . . . parsed_2rpj 1
17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.9 -69.9 . . 30 MET . . . . . . . . . . . . . parsed_2rpj 1
18 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.1 168.1 . . 30 MET . . . . . . . . . . . . . parsed_2rpj 1
19 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -122.9 -62.9 . . 31 ASP . . . . . . . . . . . . . parsed_2rpj 1
20 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.5 166.5 . . 31 ASP . . . . . . . . . . . . . parsed_2rpj 1
21 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.3 -33.4 . . 33 ALA . . . . . . . . . . . . . parsed_2rpj 1
22 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.5 -5.5 . . 33 ALA . . . . . . . . . . . . . parsed_2rpj 1
23 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.0 -39.0 . . 36 ARG . . . . . . . . . . . . . parsed_2rpj 1
24 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.3 -0.3 . . 36 ARG . . . . . . . . . . . . . parsed_2rpj 1
25 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.6 -50.6 . . 37 ALA . . . . . . . . . . . . . parsed_2rpj 1
26 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.2 5.8 . . 37 ALA . . . . . . . . . . . . . parsed_2rpj 1
27 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.2 -60.2 . . 41 SER . . . . . . . . . . . . . parsed_2rpj 1
28 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97.6 157.6 . . 41 SER . . . . . . . . . . . . . parsed_2rpj 1
29 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.3 -29.3 . . 42 ASP . . . . . . . . . . . . . parsed_2rpj 1
30 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.2 -1.2 . . 42 ASP . . . . . . . . . . . . . parsed_2rpj 1
31 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -122.2 -62.2 . . 43 PHE . . . . . . . . . . . . . parsed_2rpj 1
32 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -27.2 32.8 . . 43 PHE . . . . . . . . . . . . . parsed_2rpj 1
33 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.9 -38.9 . . 45 LEU . . . . . . . . . . . . . parsed_2rpj 1
34 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.7 10.3 . . 45 LEU . . . . . . . . . . . . . parsed_2rpj 1
35 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 46 GLY . . . . . . . . . . . . . parsed_2rpj 1
36 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -29.0 31.0 . . 46 GLY . . . . . . . . . . . . . parsed_2rpj 1
37 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -118.9 -58.9 . . 48 ALA . . . . . . . . . . . . . parsed_2rpj 1
38 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.2 163.2 . . 48 ALA . . . . . . . . . . . . . parsed_2rpj 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 "15 PRO PHI -97.0 -37.0" 1 1 1 26 parsed_2rpj 1
2 "15 PRO PSI 114.2 174.2" 2 1 2 26 parsed_2rpj 1
3 "16 CYS PHI -161.9 -101.9" 3 1 3 28 parsed_2rpj 1
4 "16 CYS PSI 132.6 192.6" 4 1 4 26 parsed_2rpj 1
5 "32 CYS PHI -126.5 -66.5" 25 1 25 27 parsed_2rpj 1
6 "32 CYS PSI 130.7 190.7" 26 1 26 26 parsed_2rpj 1
7 "50 ALA PHI -145.7 -85.7" 45 1 45 27 parsed_2rpj 1
8 "50 ALA PSI 121.9 181.9" 46 1 46 26 parsed_2rpj 1
stop_
save_
Contact the webmaster for help, if required. Sunday, April 28, 2024 2:34:24 PM GMT (wattos1)