Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
592928 | 2n1e RC | 25558 | cing | 2-parsed | STAR | dihedral angle | 33 |
data_2n1e_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2n1e
_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_2n1e 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2n1e
_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 2n1e "Master copy" parsed_2n1e
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2n1e
_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 2n1e.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2n1e 1
1 2n1e.mr . . XPLOR/CNS 2 distance NOE simple 75 parsed_2n1e 1
1 2n1e.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 33 parsed_2n1e 1
1 2n1e.mr . . unknown 4 unknown "Not applicable" "Not applicable" 0 parsed_2n1e 1
1 2n1e.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2n1e 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2n1e
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165 -105 . Z1 1 . C Z1 2 . N Z1 2 . CA Z1 2 . C parsed_2n1e 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165 -105 . Z1 2 . C Z1 3 . N Z1 3 . CA Z1 3 . C parsed_2n1e 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165 -105 . Z1 3 . C Z1 4 . N Z1 4 . CA Z1 4 . C parsed_2n1e 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165 -105 . Z1 4 . C Z1 5 . N Z1 5 . CA Z1 5 . C parsed_2n1e 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165 -105 . Z1 5 . C Z1 6 . N Z1 6 . CA Z1 6 . C parsed_2n1e 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165 -105 . Z1 6 . C Z1 7 . N Z1 7 . CA Z1 7 . C parsed_2n1e 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165 -105 . Z1 7 . C Z1 8 . N Z1 8 . CA Z1 8 . C parsed_2n1e 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165 -105 . Z1 13 . C Z1 14 . N Z1 14 . CA Z1 14 . C parsed_2n1e 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165 -105 . Z1 14 . C Z1 15 . N Z1 15 . CA Z1 15 . C parsed_2n1e 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165 -105 . Z1 15 . C Z1 16 . N Z1 16 . CA Z1 16 . C parsed_2n1e 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165 -105 . Z1 16 . C Z1 17 . N Z1 17 . CA Z1 17 . C parsed_2n1e 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165 -105 . Z1 17 . C Z1 18 . N Z1 18 . CA Z1 18 . C parsed_2n1e 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165 -105 . Z1 18 . C Z1 19 . N Z1 19 . CA Z1 19 . C parsed_2n1e 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165 -105 . Z1 19 . C Z1 20 . N Z1 20 . CA Z1 20 . C parsed_2n1e 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168 -88 . Z1 8 . C Z1 9 . N Z1 9 . CA Z1 9 . C parsed_2n1e 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86 -50 . Z1 10 . C Z1 11 . N Z1 11 . CA Z1 11 . C parsed_2n1e 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180 -48 . Z1 12 . C Z1 13 . N Z1 13 . CA Z1 13 . C parsed_2n1e 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . Z1 1 . N Z1 1 . CA Z1 1 . C Z1 2 . N parsed_2n1e 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . Z1 2 . N Z1 2 . CA Z1 2 . C Z1 3 . N parsed_2n1e 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . Z1 3 . N Z1 3 . CA Z1 3 . C Z1 4 . N parsed_2n1e 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . Z1 4 . N Z1 4 . CA Z1 4 . C Z1 5 . N parsed_2n1e 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . Z1 5 . N Z1 5 . CA Z1 5 . C Z1 6 . N parsed_2n1e 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . Z1 6 . N Z1 6 . CA Z1 6 . C Z1 7 . N parsed_2n1e 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . Z1 7 . N Z1 7 . CA Z1 7 . C Z1 8 . N parsed_2n1e 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . Z1 8 . N Z1 8 . CA Z1 8 . C Z1 9 . N parsed_2n1e 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . Z1 14 . N Z1 14 . CA Z1 14 . C Z1 15 . N parsed_2n1e 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . Z1 15 . N Z1 15 . CA Z1 15 . C Z1 16 . N parsed_2n1e 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . Z1 16 . N Z1 16 . CA Z1 16 . C Z1 17 . N parsed_2n1e 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . Z1 17 . N Z1 17 . CA Z1 17 . C Z1 18 . N parsed_2n1e 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . Z1 18 . N Z1 18 . CA Z1 18 . C Z1 19 . N parsed_2n1e 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . Z1 19 . N Z1 19 . CA Z1 19 . C Z1 20 . N parsed_2n1e 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 73 197 . Z1 9 . N Z1 9 . CA Z1 9 . C Z1 10 . N parsed_2n1e 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114 182 . Z1 13 . N Z1 13 . CA Z1 13 . C Z1 14 . N parsed_2n1e 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 restraints (artificial)" 1 1 2 31 parsed_2n1e 1
2 "Phi values from TALOS+" 46 1 46 25 parsed_2n1e 1
3 "Psi restraints (artificial)" 54 1 54 30 parsed_2n1e 1
4 "Psi values from TALOS+" 98 1 98 25 parsed_2n1e 1
stop_
save_