Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
38311 | 1r9i RC | 6027 | cing | 2-parsed | STAR | dihedral angle | 32 |
data_1r9i_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1r9i
_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_1r9i 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1r9i
_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 1r9i "Master copy" parsed_1r9i
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1r9i
_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 1r9i.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1r9i 1
1 1r9i.mr . . XPLOR/CNS 2 distance NOE simple 326 parsed_1r9i 1
1 1r9i.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 12 parsed_1r9i 1
1 1r9i.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 32 parsed_1r9i 1
1 1r9i.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1r9i 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1r9i
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_1r9i 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_1r9i 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_1r9i 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_1r9i 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_1r9i 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_1r9i 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_1r9i 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_1r9i 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_1r9i 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_1r9i 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_1r9i 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -20.0 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_1r9i 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_1r9i 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -20.0 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_1r9i 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_1r9i 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_1r9i 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_1r9i 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -25.0 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_1r9i 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 240.0 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_1r9i 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -25.0 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_1r9i 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_1r9i 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 15 . N . 15 . CA . 15 . CB . 15 . CG parsed_1r9i 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 14 . N . 14 . CA . 14 . CB . 14 . CG parsed_1r9i 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 4 . N . 4 . CA . 4 . CB . 4 . SG parsed_1r9i 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 7 . N . 7 . CA . 7 . CB . 7 . CG parsed_1r9i 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 10 . N . 10 . CA . 10 . CB . 10 . OG parsed_1r9i 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 12 . N . 12 . CA . 12 . CB . 12 . CG parsed_1r9i 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 16 . N . 16 . CA . 16 . CB . 16 . SG parsed_1r9i 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 19 . N . 19 . CA . 19 . CB . 19 . CG parsed_1r9i 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 20 . N . 20 . CA . 20 . CB . 20 . CG parsed_1r9i 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 21 . N . 21 . CA . 21 . CB . 21 . SG parsed_1r9i 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 22 . N . 22 . CA . 22 . CB . 22 . SG parsed_1r9i 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 angles
phi angles
! 1
;
1 1 4 8 parsed_1r9i 1
2 "! 2" 7 1 7 8 parsed_1r9i 1
3 "! 3" 10 1 10 8 parsed_1r9i 1
4 "! 4" 13 1 13 5 parsed_1r9i 1
5 "! 5" 16 1 16 10 parsed_1r9i 1
6 "! 6" 19 1 19 6 parsed_1r9i 1
7 "! 7" 22 1 22 6 parsed_1r9i 1
8 "! 8" 25 1 25 6 parsed_1r9i 1
9 "! 9" 28 1 28 6 parsed_1r9i 1
10 "! 10" 31 1 31 6 parsed_1r9i 1
11 "! 11" 34 1 34 6 parsed_1r9i 1
12 "! 12" 37 1 37 6 parsed_1r9i 1
13 "! 13" 40 1 40 6 parsed_1r9i 1
14 "! 14" 43 1 43 6 parsed_1r9i 1
15 "! 15" 46 1 46 6 parsed_1r9i 1
16 "! 16" 49 1 49 6 parsed_1r9i 1
17 "! 17" 52 1 52 6 parsed_1r9i 1
18 "! 18" 55 1 55 6 parsed_1r9i 1
19 "! 18" 58 1 58 6 parsed_1r9i 1
20 "! 19" 61 1 61 6 parsed_1r9i 1
21 "! 20" 64 1 64 6 parsed_1r9i 1
22
;
chi angles
! 1
;
68 1 69 10 parsed_1r9i 1
23 "! 2" 72 3 72 10 parsed_1r9i 1
24 "! 3" 75 3 75 10 parsed_1r9i 1
25 "! 4" 78 3 78 10 parsed_1r9i 1
26 "! 5" 81 3 81 10 parsed_1r9i 1
27 "! 6" 84 3 84 10 parsed_1r9i 1
28 "! 7" 87 3 87 10 parsed_1r9i 1
29 "! 8" 90 3 90 10 parsed_1r9i 1
30 "! 9" 93 3 93 10 parsed_1r9i 1
31 "! 10" 96 3 96 11 parsed_1r9i 1
32 "! 11" 99 3 99 11 parsed_1r9i 1
stop_
save_