NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
640109 |
6rro   |
34402 | cing | 2-parsed | STAR | dihedral angle | 16 |
data_6rro_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6rro
_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_6rro 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6rro
_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 6rro "Master copy" parsed_6rro
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6rro
_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 6rro.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6rro 1
1 6rro.mr . . DYANA/DIANA 2 "dihedral angle" "Not applicable" "Not applicable" 5 parsed_6rro 1
1 6rro.mr . . DYANA/DIANA 3 distance "hydrogen bond" simple 36 parsed_6rro 1
1 6rro.mr . . DYANA/DIANA 4 distance NOE simple 146 parsed_6rro 1
1 6rro.mr . . DYANA/DIANA 5 "dihedral angle" "Not applicable" "Not applicable" 16 parsed_6rro 1
1 6rro.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6rro 1
stop_
save_
save_DYANA/DIANA_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6rro
_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 -44.9 . . 3 ILE . . . . . . . . . . . . . parsed_6rro 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.6 -19.6 . . 3 ILE . . . . . . . . . . . . . parsed_6rro 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.3 -46.3 . . 4 VAL . . . . . . . . . . . . . parsed_6rro 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.9 -18.9 . . 4 VAL . . . . . . . . . . . . . parsed_6rro 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.7 -44.7 . . 5 LYS . . . . . . . . . . . . . parsed_6rro 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.1 -20.1 . . 5 LYS . . . . . . . . . . . . . parsed_6rro 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.2 -46.2 . . 6 ARG . . . . . . . . . . . . . parsed_6rro 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.4 -19.4 . . 6 ARG . . . . . . . . . . . . . parsed_6rro 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.4 -47.4 . . 7 PHE . . . . . . . . . . . . . parsed_6rro 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.9 -17.9 . . 7 PHE . . . . . . . . . . . . . parsed_6rro 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.4 -44.4 . . 8 LYS . . . . . . . . . . . . . parsed_6rro 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.1 -17.1 . . 8 LYS . . . . . . . . . . . . . parsed_6rro 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.0 -49.0 . . 9 ILE . . . . . . . . . . . . . parsed_6rro 1
14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.6 -14.6 . . 9 ILE . . . . . . . . . . . . . parsed_6rro 1
15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.8 -47.8 . . 10 LEU . . . . . . . . . . . . . parsed_6rro 1
16 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.4 -8.4 . . 10 LEU . . . . . . . . . . . . . parsed_6rro 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 "Restraints file 5: pep536_2_talos.aco" 1 1 1 39 parsed_6rro 1
2 "3 I -64.881 -39.559 5.432 5.355 0.367 0.827 25 11 Strong" 3 1 3 72 parsed_6rro 1
3 "4 V -66.267 -38.948 4.463 4.708 0.244 0.856 25 12 Strong" 7 1 7 72 parsed_6rro 1
4 "5 K -64.693 -40.083 5.263 5.512 0.170 0.858 25 11 Strong" 11 1 11 72 parsed_6rro 1
5 "6 R -66.167 -39.448 4.961 5.894 0.164 0.844 25 11 Strong" 15 1 15 72 parsed_6rro 1
6 "7 F -67.377 -37.924 4.101 4.815 0.158 0.838 25 11 Strong" 19 1 19 72 parsed_6rro 1
7 "8 K -64.364 -37.132 4.923 5.707 0.209 0.831 25 12 Strong" 23 1 23 72 parsed_6rro 1
8 "9 I -69.016 -34.583 6.405 8.141 0.287 0.792 25 12 Strong" 27 1 27 72 parsed_6rro 1
9 "10 L -67.850 -28.401 7.869 7.736 0.384 0.745 25 12 Strong" 31 1 31 72 parsed_6rro 1
stop_
save_
Contact the webmaster for help, if required. Thursday, June 13, 2024 7:02:24 PM GMT (wattos1)