Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
42473 | 1ywj RC | 6558 | cing | 2-parsed | STAR | dihedral angle | 28 |
data_1ywj_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1ywj
_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_1ywj 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1ywj
_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 1ywj "Master copy" parsed_1ywj
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1ywj
_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 1ywj.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1ywj 1
1 1ywj.mr . . XPLOR/CNS 2 distance NOE simple 770 parsed_1ywj 1
1 1ywj.mr . . XPLOR/CNS 3 distance NOE ambi 51 parsed_1ywj 1
1 1ywj.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 28 parsed_1ywj 1
1 1ywj.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 0 parsed_1ywj 1
1 1ywj.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1ywj 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1ywj
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_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 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_1ywj 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165 -105 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_1ywj 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165 -105 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_1ywj 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165 -105 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_1ywj 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165 -105 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_1ywj 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165 -105 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_1ywj 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165 -105 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_1ywj 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165 -105 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_1ywj 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165 -105 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_1ywj 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165 -105 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_1ywj 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165 -105 . . 36 . C . 37 . N . 37 . CA . 37 . C parsed_1ywj 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165 -105 . . 37 . C . 38 . N . 38 . CA . 38 . C parsed_1ywj 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165 -105 . . 38 . C . 39 . N . 39 . CA . 39 . C parsed_1ywj 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165 -105 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_1ywj 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_1ywj 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_1ywj 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_1ywj 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_1ywj 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_1ywj 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_1ywj 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . . 28 . N . 28 . CA . 28 . C . 29 . N parsed_1ywj 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . . 29 . N . 29 . CA . 29 . C . 30 . N parsed_1ywj 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . . 30 . N . 30 . CA . 30 . C . 31 . N parsed_1ywj 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . . 36 . N . 36 . CA . 36 . C . 37 . N parsed_1ywj 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . . 37 . N . 37 . CA . 37 . C . 38 . N parsed_1ywj 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . . 38 . N . 38 . CA . 38 . C . 39 . N parsed_1ywj 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . . 39 . N . 39 . CA . 39 . C . 40 . N parsed_1ywj 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . . 40 . N . 40 . CA . 40 . C . 41 . N parsed_1ywj 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
;
dihedral restraints from chemical shifts
CSI restraints, converted by ARIA
Phi:
dihedral angle file generated by Csi2Aria.py
CSI derived phi restraint:
;
2 1 9 29 parsed_1ywj 1
2 "CSI derived phi restraint:" 16 1 16 29 parsed_1ywj 1
3 "CSI derived phi restraint:" 23 1 23 29 parsed_1ywj 1
4 "CSI derived phi restraint:" 30 1 30 29 parsed_1ywj 1
5 "CSI derived phi restraint:" 37 1 37 29 parsed_1ywj 1
6 "CSI derived phi restraint:" 44 1 44 29 parsed_1ywj 1
7 "CSI derived phi restraint:" 51 1 51 29 parsed_1ywj 1
8 "CSI derived phi restraint:" 58 1 58 29 parsed_1ywj 1
9 "CSI derived phi restraint:" 65 1 65 29 parsed_1ywj 1
10 "CSI derived phi restraint:" 72 1 72 29 parsed_1ywj 1
11 "CSI derived phi restraint:" 79 1 79 29 parsed_1ywj 1
12 "CSI derived phi restraint:" 86 1 86 29 parsed_1ywj 1
13 "CSI derived phi restraint:" 93 1 93 29 parsed_1ywj 1
14 "CSI derived phi restraint:" 100 1 100 29 parsed_1ywj 1
15
;
Psi:
dihedral angle file generated by Csi2Aria.py
CSI derived psi restraint:
;
109 1 113 29 parsed_1ywj 1
16 "CSI derived psi restraint:" 120 1 120 29 parsed_1ywj 1
17 "CSI derived psi restraint:" 127 1 127 29 parsed_1ywj 1
18 "CSI derived psi restraint:" 134 1 134 29 parsed_1ywj 1
19 "CSI derived psi restraint:" 141 1 141 29 parsed_1ywj 1
20 "CSI derived psi restraint:" 148 1 148 29 parsed_1ywj 1
21 "CSI derived psi restraint:" 155 1 155 29 parsed_1ywj 1
22 "CSI derived psi restraint:" 162 1 162 29 parsed_1ywj 1
23 "CSI derived psi restraint:" 169 1 169 29 parsed_1ywj 1
24 "CSI derived psi restraint:" 176 1 176 29 parsed_1ywj 1
25 "CSI derived psi restraint:" 183 1 183 29 parsed_1ywj 1
26 "CSI derived psi restraint:" 190 1 190 29 parsed_1ywj 1
27 "CSI derived psi restraint:" 197 1 197 29 parsed_1ywj 1
28 "CSI derived psi restraint:" 204 1 204 29 parsed_1ywj 1
stop_
save_