Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
37288 | 1pb5 RC | 5817 | cing | 2-parsed | STAR | dihedral angle | 52 |
data_1pb5_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1pb5
_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_1pb5 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1pb5
_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 1pb5 "Master copy" parsed_1pb5
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1pb5
_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 1pb5.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1pb5 1
1 1pb5.mr . . XPLOR/CNS 2 distance "general distance" simple 3 parsed_1pb5 1
1 1pb5.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 52 parsed_1pb5 1
1 1pb5.mr . . XPLOR/CNS 4 distance NOE ambi 0 parsed_1pb5 1
1 1pb5.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1pb5 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1pb5
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.0 -70.0 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_1pb5 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -80.0 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_1pb5 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_1pb5 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -80.0 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_1pb5 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -50.0 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_1pb5 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_1pb5 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -40.0 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_1pb5 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.0 -55.0 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_1pb5 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.0 -65.0 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_1pb5 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_1pb5 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_1pb5 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 -75.0 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_1pb5 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -130.0 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_1pb5 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -80.0 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_1pb5 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_1pb5 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.0 -55.0 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_1pb5 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_1pb5 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.0 -70.0 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_1pb5 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.0 -55.0 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_1pb5 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_1pb5 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_1pb5 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_1pb5 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_1pb5 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -80.0 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_1pb5 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.0 170.0 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_1pb5 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 10.0 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_1pb5 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 20.0 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_1pb5 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 5.0 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_1pb5 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 10.0 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_1pb5 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 160.0 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_1pb5 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.0 25.0 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_1pb5 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.0 15.0 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_1pb5 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 150.0 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_1pb5 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.0 170.0 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_1pb5 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 0.0 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_1pb5 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 20.0 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_1pb5 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.0 185.0 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_1pb5 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 0.0 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_1pb5 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.0 -5.0 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_1pb5 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 30.0 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_1pb5 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 10.0 . . 33 . N . 33 . CA . 33 . C . 34 . N parsed_1pb5 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 6 . N . 6 . CA . 6 . CB . 6 . CG parsed_1pb5 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 9 . N . 9 . CA . 9 . CB . 9 . SG parsed_1pb5 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 12 . N . 12 . CA . 12 . CB . 12 . CG parsed_1pb5 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 15 . N . 15 . CA . 15 . CB . 15 . CG parsed_1pb5 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 16 . N . 16 . CA . 16 . CB . 16 . CG parsed_1pb5 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 22 . N . 22 . CA . 22 . CB . 22 . SG parsed_1pb5 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 24 . N . 24 . CA . 24 . CB . 24 . CG parsed_1pb5 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 27 . N . 27 . CA . 27 . CB . 27 . SG parsed_1pb5 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 30 . N . 30 . CA . 30 . CB . 30 . CG parsed_1pb5 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 33 . N . 33 . CA . 33 . CB . 33 . CG parsed_1pb5 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 34 . N . 34 . CA . 34 . CB . 34 . SG parsed_1pb5 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
;
! The phi angle constraints from HMQC-J and TALOS
! from TALOS
;
2 1 4 14 parsed_1pb5 1
2 "! from TALOS" 8 1 8 14 parsed_1pb5 1
3 "! from TALOS" 12 1 12 14 parsed_1pb5 1
4 "! modified with TALOS" 16 1 16 24 parsed_1pb5 1
5 "! modified with TALOS" 20 1 20 24 parsed_1pb5 1
6 "! modified with TALOS" 27 1 27 23 parsed_1pb5 1
7 "! from TALOS" 31 1 31 14 parsed_1pb5 1
8 "! from TALOS" 35 1 35 14 parsed_1pb5 1
9 "! modified with TALOS" 45 1 45 24 parsed_1pb5 1
10 "! alternative HMQC-J" 49 1 49 22 parsed_1pb5 1
11 "! modified with TALOS" 53 1 53 24 parsed_1pb5 1
12 "! from TALOS" 60 1 60 14 parsed_1pb5 1
13 "! from TALOS ME" 67 1 67 17 parsed_1pb5 1
14 "! from TALOS" 71 1 71 14 parsed_1pb5 1
15 "! modified with TALOS" 84 1 84 24 parsed_1pb5 1
16 "! The Psi angle constraints from TALOS" 92 1 92 40 parsed_1pb5 1
17
;
! The Chi angle constraints
!assign (resid 4 and name N) (resid 4 and name CA)
! (resid 4 and name CB) (resid 4 and name SG) 1.0 60.0 40.0 2
;
145 1 148 89 parsed_1pb5 1
18
;
!assign (resid 18 and name N) (resid 18 and name CA)
! (resid 18 and name CB) (resid 18 and name SG) 1.0 180.0 40.0 2
;
165 1 166 88 parsed_1pb5 1
19
;
!assign (resid 23 and name N) (resid 23 and name CA)
! (resid 23 and name CB) (resid 23 and name CG) 1.0 -120.0 40.0 2
;
171 1 172 90 parsed_1pb5 1
stop_
save_