NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
569177 |
4bs2   |
19290 | cing | 2-parsed | STAR | dihedral angle | 3 |
data_4bs2_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_4bs2
_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_4bs2 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_4bs2
_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 4bs2 "Master copy" parsed_4bs2
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_4bs2
_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 4bs2.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_4bs2 1
1 4bs2.mr . . AMBER 2 distance NOE simple 5348 parsed_4bs2 1
1 4bs2.mr . . AMBER 3 distance "hydrogen bond" simple 112 parsed_4bs2 1
1 4bs2.mr . . AMBER 4 "dihedral angle" "Not applicable" "Not applicable" 3 parsed_4bs2 1
1 4bs2.mr . . AMBER 5 stereochemistry chirality "Not applicable" 0 parsed_4bs2 1
1 4bs2.mr . . AMBER 6 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_4bs2 1
1 4bs2.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_4bs2 1
stop_
save_
save_AMBER_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_4bs2
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -115.0 . 4bs2_ambr002 1 G O4' 4bs2_ambr002 1 G C1' 4bs2_ambr002 1 G N9 4bs2_ambr002 1 G C4 parsed_4bs2 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 80.0 . 4bs2_ambr002 3 G O4' 4bs2_ambr002 3 G C1' 4bs2_ambr002 3 G N9 4bs2_ambr002 3 G C4 parsed_4bs2 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . 4bs2_ambr002 9 G O4' 4bs2_ambr002 9 G C1' 4bs2_ambr002 9 G N9 4bs2_ambr002 9 G C4 parsed_4bs2 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 "175 GUA CHI: (175 RG5 O4')-(175 RG5 C1')-(175 RG5 N9)-(175 RG5 C4) -180.0 -115.0" 1 1 1 84 parsed_4bs2 1
2 "177 GUA CHI: (177 RG O4')-(177 RG C1')-(177 RG N9)-(177 RG C4) 60.0 80.0" 6 1 6 78 parsed_4bs2 1
3 "183 GUA CHI: (183 RG O4')-(183 RG C1')-(183 RG N9)-(183 RG C4) 40.0 80.0" 11 1 11 78 parsed_4bs2 1
stop_
save_
Contact the webmaster for help, if required. Saturday, May 18, 2024 5:44:43 AM GMT (wattos1)