NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
589365 |
2mzx   |
25505 | cing | 2-parsed | STAR | dihedral angle | 22 |
data_2mzx_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mzx
_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_2mzx 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mzx
_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 2mzx "Master copy" parsed_2mzx
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mzx
_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 2mzx.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mzx 1
1 2mzx.mr . . XPLOR/CNS 2 distance NOE simple 313 parsed_2mzx 1
1 2mzx.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 22 parsed_2mzx 1
1 2mzx.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mzx 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2mzx
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 66.5 106.5 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_2mzx 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -19.1 22.9 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_2mzx 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.9 -59.3 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_2mzx 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.5 154.5 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_2mzx 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.8 157.0 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_2mzx 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -108.3 -52.1 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_2mzx 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.5 13.9 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_2mzx 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.7 -45.7 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_2mzx 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.0 -17.0 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_2mzx 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.6 -46.6 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_2mzx 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.6 -19.6 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_2mzx 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.8 -46.8 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_2mzx 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.9 -15.9 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_2mzx 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.2 -47.2 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_2mzx 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.2 -14.2 . . 28 . N . 28 . CA . 28 . C . 29 . N parsed_2mzx 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.4 -50.4 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_2mzx 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.6 -8.6 . . 29 . N . 29 . CA . 29 . C . 30 . N parsed_2mzx 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.3 -51.3 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_2mzx 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.0 156.0 . . 33 . N . 33 . CA . 33 . C . 34 . N parsed_2mzx 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -45.0 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_2mzx 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -45.0 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_2mzx 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -45.0 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_2mzx 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
;
Phi/Psi Angles From 'Strong' TALOS-N Predictions:
error margins are set to conservative default values of double the
standard deviation observed in TALOS-N capped at a minimum of +/-20 degree.
;
2 1 4 81 parsed_2mzx 1
2 "!from HSQC J coupling small than 6Hz" 43 1 43 38 parsed_2mzx 1
3 "message=on echo=on" 52 1 52 26 parsed_2mzx 1
4
;
Phi/Psi Angles From 'Generous' TALOS-N Predictions:
error margins are set to default values of triple the standard
deviation observed in TALOS-N capped at a minimum of +/-20 degree.
;
55 1 57 72 parsed_2mzx 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 dihedral reset" 1 1 1 25 parsed_2mzx 1
2 end 50 1 50 3 parsed_2mzx 1
stop_
save_
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