NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
641070 |
6imh   |
cing | 2-parsed | STAR | dihedral angle | 23 |
data_6imh_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6imh
_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_6imh 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6imh
_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 6imh "Master copy" parsed_6imh
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6imh
_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 6imh.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6imh 1
1 6imh.mr . . XPLOR/CNS 2 distance NOE simple 366 parsed_6imh 1
1 6imh.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 23 parsed_6imh 1
1 6imh.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6imh 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6imh
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -116.00 -51.10 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_6imh 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.90 -75.00 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_6imh 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.50 -58.00 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_6imh 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.05 -43.05 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_6imh 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.65 -41.65 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_6imh 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.90 -58.00 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_6imh 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.00 -53.80 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_6imh 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.20 -58.40 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_6imh 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.70 -49.30 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_6imh 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -116.60 -53.40 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_6imh 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.50 -48.10 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_6imh 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -121.00 -52.80 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_6imh 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.00 175.60 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_6imh 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.90 182.30 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_6imh 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.50 178.30 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_6imh 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.60 174.10 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_6imh 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.70 -2.70 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_6imh 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -34.30 25.20 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_6imh 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.70 22.80 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_6imh 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.10 2.20 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_6imh 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.60 37.80 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_6imh 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 82.30 158.80 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_6imh 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.00 165.50 . . 16 . N . 16 . CA . 16 . C . 16 . NT parsed_6imh 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
;
generated by convertToTalos
Xplor-NIH version 2.48
date: 2018/07/24 11:01:37
PHI restraints
;
2 1 6 17 parsed_6imh 1
2 "PSI restraints" 80 1 80 17 parsed_6imh 1
3
;
assign
( resid 10 and name N)
( resid 10 and name CA)
( resid 10 and name C)
( resid 11 and name N)
1.0 129.75 31.75 2
;
123 1 128 22 parsed_6imh 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 2: pb18_talosn.tbl" 1 1 1 36 parsed_6imh 1
stop_
save_
Contact the webmaster for help, if required. Wednesday, June 26, 2024 3:38:34 AM GMT (wattos1)