NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
29371 |
1as5   |
cing | 2-parsed | STAR | dihedral angle | 16 |
data_1as5_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1as5
_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_1as5 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1as5
_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 1as5 "Master copy" parsed_1as5
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1as5
_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 1as5.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1as5 1
1 1as5.mr . . DISCOVER 2 stereochemistry prochirality "Not applicable" 0 parsed_1as5 1
1 1as5.mr . . DISCOVER 3 stereochemistry chirality "Not applicable" 0 parsed_1as5 1
1 1as5.mr . . DISCOVER 4 distance NOE simple 280 parsed_1as5 1
1 1as5.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1as5 1
1 1as5.mr . . DISCOVER 6 "dihedral angle" "Not applicable" "Not applicable" 16 parsed_1as5 1
1 1as5.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1as5 1
stop_
save_
save_Discover_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1as5
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -40.000 . 1 4 CYS HN 1 4 CYS N 1 4 CYS CA 1 4 CYS HA parsed_1as5 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.000 -80.000 . 1 5 CYS HN 1 5 CYS N 1 5 CYS CA 1 5 CYS HA parsed_1as5 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -40.000 . 1 10 CYS HN 1 10 CYS N 1 10 CYS CA 1 10 CYS HA parsed_1as5 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.000 -80.000 . 1 18 SER HN 1 18 SER N 1 18 SER CA 1 18 SER HA parsed_1as5 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.000 -90.000 . 1 22 CYS HN 1 22 CYS N 1 22 CYS CA 1 22 CYS HA parsed_1as5 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.000 -90.000 . 1 11 ARG+ HN 1 11 ARG+ N 1 11 ARG+ CA 1 11 ARG+ HA parsed_1as5 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -40.000 . 1 19 ALA HN 1 19 ALA N 1 19 ALA CA 1 19 ALA HA parsed_1as5 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -40.000 . 1 20 SER HN 1 20 SER N 1 20 SER CA 1 20 SER HA parsed_1as5 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -40.000 . 1 17 SER HN 1 17 SER N 1 17 SER CA 1 17 SER HA parsed_1as5 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -40.000 . 1 21 CYS HN 1 21 CYS N 1 21 CYS CA 1 21 CYS HA parsed_1as5 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.000 -75.000 . 1 7 TYR N 1 7 TYR CA 1 7 TYR CB 1 7 TYR CG parsed_1as5 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.000 -75.000 . 1 12 ARG+ N 1 12 ARG+ CA 1 12 ARG+ CB 1 12 ARG+ CG parsed_1as5 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.000 -75.000 . 1 13 TYR N 1 13 TYR CA 1 13 TYR CB 1 13 TYR CG parsed_1as5 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.000 -75.000 . 1 23 GLN N 1 23 GLN CA 1 23 GLN CB 1 23 GLN CG parsed_1as5 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.000 -75.000 . 1 5 CYS N 1 5 CYS CA 1 5 CYS CB 1 5 CYS SG parsed_1as5 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.000 -75.000 . 1 16 CYS N 1 16 CYS CA 1 16 CYS CB 1 16 CYS SG parsed_1as5 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_1as5 1
stop_
save_
Contact the webmaster for help, if required. Thursday, May 2, 2024 12:40:59 AM GMT (wattos1)