Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
644095 | 6r2x RC | 34381 | cing | 2-parsed | STAR | dihedral angle | 14 |
data_6r2x_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6r2x
_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_6r2x 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6r2x
_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 6r2x "Master copy" parsed_6r2x
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6r2x
_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 6r2x.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6r2x 1
1 6r2x.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 14 parsed_6r2x 1
1 6r2x.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6r2x 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6r2x
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.47 -53.79 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_6r2x 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.94 -53.78 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_6r2x 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.05 -64.13 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_6r2x 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.36 -59.40 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_6r2x 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.14 -61.92 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_6r2x 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.03 -61.53 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_6r2x 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.13 -60.13 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_6r2x 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.93 -23.13 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_6r2x 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.07 -22.61 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_6r2x 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.80 -22.94 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_6r2x 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -43.50 -29.92 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_6r2x 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.10 -28.86 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_6r2x 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.08 -27.26 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_6r2x 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -41.01 -24.93 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_6r2x 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
;
using 1.5 times the talos error!
8 E TALOS PHI = -64.13 +/- 6.90
;
2 1 3 47 parsed_6r2x 1
2 "9 R TALOS PHI = -67.36 +/- 9.05" 7 1 7 47 parsed_6r2x 1
3 "10 I TALOS PHI = -72.09 +/- 5.30" 11 1 11 47 parsed_6r2x 1
4 "12 S TALOS PHI = -67.38 +/- 5.32" 15 1 15 47 parsed_6r2x 1
5 "13 I TALOS PHI = -69.03 +/- 4.74" 19 1 19 47 parsed_6r2x 1
6 "14 L TALOS PHI = -69.28 +/- 5.17" 23 1 23 47 parsed_6r2x 1
7 "15 R TALOS PHI = -69.13 +/- 6.00" 27 1 27 47 parsed_6r2x 1
8
;
using 1.5 times the talos error!
8 E TALOS PSI = -32.03 +/- 5.93
;
32 1 33 47 parsed_6r2x 1
9 "9 R TALOS PSI = -36.34 +/- 9.15" 37 1 37 47 parsed_6r2x 1
10 "10 I TALOS PSI = -33.87 +/- 7.29" 41 1 41 47 parsed_6r2x 1
11 "12 S TALOS PSI = -36.71 +/- 4.53" 45 1 45 47 parsed_6r2x 1
12 "13 I TALOS PSI = -38.48 +/- 6.41" 49 1 49 47 parsed_6r2x 1
13 "14 L TALOS PSI = -37.67 +/- 6.94" 53 1 53 47 parsed_6r2x 1
14 "15 R TALOS PSI = -32.97 +/- 5.36" 57 1 57 47 parsed_6r2x 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 "# Restraints file 1: talos_phi.tbl" 1 1 1 34 parsed_6r2x 1
2 "# Restraints file 2: talos_psi.tbl" 31 1 31 34 parsed_6r2x 1
stop_
save_