Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
36533 | 1npq RC | 5738 | cing | 2-parsed | STAR | dihedral angle | 6 |
data_1npq_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1npq
_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_1npq 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1npq
_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 1npq "Master copy" parsed_1npq
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1npq
_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 1npq.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1npq 1
1 1npq.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1npq 1
1 1npq.mr . . XPLOR/CNS 3 distance NOE simple 590 parsed_1npq 1
1 1npq.mr . . XPLOR/CNS 4 distance NOE ambi 448 parsed_1npq 1
1 1npq.mr . . XPLOR/CNS 5 distance NOE ambi 126 parsed_1npq 1
1 1npq.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 58 parsed_1npq 1
1 1npq.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 62 parsed_1npq 1
1 1npq.mr . . XPLOR/CNS 8 "dihedral angle" "Not applicable" "Not applicable" 6 parsed_1npq 1
1 1npq.mr . . XPLOR/CNS 9 "dihedral angle" "Not applicable" "Not applicable" 6 parsed_1npq 1
1 1npq.mr . . "MR format" 10 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1npq 1
stop_
save_
save_CNS/XPLOR_dihedral_9
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1npq
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 9
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140 80 . . 119 . N . 119 . CA . 119 . C . 120 . N parsed_1npq 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140 80 . . 120 . N . 120 . CA . 120 . C . 121 . N parsed_1npq 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140 80 . . 121 . N . 121 . CA . 121 . C . 122 . N parsed_1npq 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140 80 . . 122 . N . 122 . CA . 122 . C . 123 . N parsed_1npq 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140 80 . . 123 . N . 123 . CA . 123 . C . 124 . N parsed_1npq 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140 80 . . 124 . N . 124 . CA . 124 . C . 125 . N parsed_1npq 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 and psi dihedral restraint file generated by Talos2Aria.py
TALOS filename:
/export/home/coffey/pmercier/aria/tools/final.tab
settings: min phiError=None, min psiError=30, errorFactor=2.0
Talos derived psi restraint:
;
1 1 9 31 parsed_1npq 1
2 "Talos derived psi restraint:" 16 1 16 31 parsed_1npq 1
3 "Talos derived psi restraint:" 23 1 23 31 parsed_1npq 1
4 "Talos derived psi restraint:" 30 1 30 31 parsed_1npq 1
5 "Talos derived psi restraint:" 37 1 37 31 parsed_1npq 1
6 "Talos derived psi restraint:" 44 1 44 31 parsed_1npq 1
stop_
save_