NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | item_count |
|
|
32095 |
1fcl   |
5152 | cing | recoord | 2-parsed | STAR | dihedral angle | 10 |
data_1fcl_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1fcl
_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_1fcl 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1fcl
_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 1fcl "Master copy" parsed_1fcl
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1fcl
_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 1fcl.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1fcl 1
1 1fcl.mr . . XPLOR/CNS 2 distance NOE simple 209 parsed_1fcl 1
1 1fcl.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_1fcl 1
1 1fcl.mr . . XPLOR/CNS 4 distance NOE simple 162 parsed_1fcl 1
1 1fcl.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1fcl 1
1 1fcl.mr . . XPLOR/CNS 6 distance NOE simple 326 parsed_1fcl 1
1 1fcl.mr . . XPLOR/CNS 7 distance "hydrogen bond" simple 36 parsed_1fcl 1
1 1fcl.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_1fcl 1
1 1fcl.mr . . XPLOR/CNS 9 "dihedral angle" "Not applicable" "Not applicable" 10 parsed_1fcl 1
1 1fcl.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_1fcl 1
1 1fcl.mr . . "MR format" 11 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1fcl 1
stop_
save_
save_CNS/XPLOR_dihedral_9
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1fcl
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 9
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 60.0 . . 2 . n . 2 . ca . 2 . cb . 2 . og1 parsed_1fcl 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 60.0 . . 3 . n . 3 . ca . 3 . cb . 3 . cg parsed_1fcl 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 300.0 . . 5 . n . 5 . ca . 5 . cb . 5 . cg parsed_1fcl 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 60.0 . . 12 . n . 12 . ca . 12 . cb . 12 . cg parsed_1fcl 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 180.0 . . 22 . n . 22 . ca . 22 . cb . 22 . cg parsed_1fcl 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 60.0 . . 25 . n . 25 . ca . 25 . cb . 25 . og1 parsed_1fcl 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 300.0 . . 33 . n . 33 . ca . 33 . cb . 33 . cg parsed_1fcl 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 60.0 . . 51 . n . 51 . ca . 51 . cb . 51 . og1 parsed_1fcl 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 60.0 . . 53 . n . 53 . ca . 53 . cb . 53 . og1 parsed_1fcl 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 60.0 . . 55 . n . 55 . ca . 55 . cb . 55 . og1 parsed_1fcl 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 !2 1 3 1 6 parsed_1fcl 1
2 !3 4 3 4 6 parsed_1fcl 1
3 !5 7 3 7 6 parsed_1fcl 1
4 !12 10 3 10 7 parsed_1fcl 1
5 !22 13 3 13 7 parsed_1fcl 1
6 !25 16 3 16 7 parsed_1fcl 1
7 !33 19 3 19 7 parsed_1fcl 1
8 !51 22 3 22 7 parsed_1fcl 1
9 !53 25 3 25 7 parsed_1fcl 1
10 !55 28 3 28 7 parsed_1fcl 1
stop_
save_
Contact the webmaster for help, if required. Thursday, May 16, 2024 5:21:12 AM GMT (wattos1)