NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
40465 |
1vd4   |
cing | 2-parsed | STAR | dihedral angle | 44 |
data_1vd4_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1vd4
_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_1vd4 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1vd4
_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 1vd4 "Master copy" parsed_1vd4
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1vd4
_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 1vd4.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1vd4 1
1 1vd4.mr . . XPLOR/CNS 2 distance NOE simple 909 parsed_1vd4 1
1 1vd4.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 24 parsed_1vd4 1
1 1vd4.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 44 parsed_1vd4 1
1 1vd4.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1vd4 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1vd4
_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 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_1vd4 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_1vd4 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_1vd4 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_1vd4 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_1vd4 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_1vd4 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_1vd4 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_1vd4 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_1vd4 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_1vd4 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_1vd4 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_1vd4 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_1vd4 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 36 . C . 37 . N . 37 . CA . 37 . C parsed_1vd4 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 38 . C . 39 . N . 39 . CA . 39 . C parsed_1vd4 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_1vd4 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 40 . C . 41 . N . 41 . CA . 41 . C parsed_1vd4 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 41 . C . 42 . N . 42 . CA . 42 . C parsed_1vd4 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_1vd4 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 44 . C . 45 . N . 45 . CA . 45 . C parsed_1vd4 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 47 . C . 48 . N . 48 . CA . 48 . C parsed_1vd4 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 48 . C . 49 . N . 49 . CA . 49 . C parsed_1vd4 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 49 . C . 50 . N . 50 . CA . 50 . C parsed_1vd4 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 16 . N . 16 . CA . 16 . CB . 16 . CG parsed_1vd4 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 17 . N . 17 . CA . 17 . CB . 17 . SG parsed_1vd4 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 19 . N . 19 . CA . 19 . CB . 19 . CG1 parsed_1vd4 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 20 . N . 20 . CA . 20 . CB . 20 . SG parsed_1vd4 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 21 . N . 21 . CA . 21 . CB . 21 . OG parsed_1vd4 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 22 . N . 22 . CA . 22 . CB . 22 . OG parsed_1vd4 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 24 . N . 24 . CA . 24 . CB . 24 . CG parsed_1vd4 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 26 . N . 26 . CA . 26 . CB . 26 . CG parsed_1vd4 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 28 . N . 28 . CA . 28 . CB . 28 . CG parsed_1vd4 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 32 . N . 32 . CA . 32 . CB . 32 . CG parsed_1vd4 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 33 . N . 33 . CA . 33 . CB . 33 . CG parsed_1vd4 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 36 . N . 36 . CA . 36 . CB . 36 . CG parsed_1vd4 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 40 . N . 40 . CA . 40 . CB . 40 . CG parsed_1vd4 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 41 . N . 41 . CA . 41 . CB . 41 . CG parsed_1vd4 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 44 . N . 44 . CA . 44 . CB . 44 . CG parsed_1vd4 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 45 . N . 45 . CA . 45 . CB . 45 . SG parsed_1vd4 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 46 . N . 46 . CA . 46 . CB . 46 . CG parsed_1vd4 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 49 . N . 49 . CA . 49 . CB . 49 . CG1 parsed_1vd4 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 50 . N . 50 . CA . 50 . CB . 50 . CG parsed_1vd4 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 52 . N . 52 . CA . 52 . CB . 52 . CG parsed_1vd4 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 53 . N . 53 . CA . 53 . CB . 53 . CG parsed_1vd4 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 angle !!!
-------------------------------------------------------------------------------------------
Phi
-------------------------------------------------------------------------------------------
! 14
;
2 1 6 9 parsed_1vd4 1
2 "! 15" 9 1 9 9 parsed_1vd4 1
3 "! 16" 12 1 12 9 parsed_1vd4 1
4 "! 19" 15 1 15 9 parsed_1vd4 1
5 "! 20" 18 1 18 9 parsed_1vd4 1
6 "! 22" 21 1 21 78 parsed_1vd4 1
7 "! 23" 24 1 24 9 parsed_1vd4 1
8 "! 24" 27 1 27 9 parsed_1vd4 1
9 "! 26" 30 1 30 9 parsed_1vd4 1
10 "! 29" 33 1 33 9 parsed_1vd4 1
11 "! 30" 36 1 36 9 parsed_1vd4 1
12 "! 33" 39 1 39 9 parsed_1vd4 1
13 "! 34" 42 1 42 80 parsed_1vd4 1
14 "! 37" 45 1 45 78 parsed_1vd4 1
15 "! 39" 48 1 48 79 parsed_1vd4 1
16 "! 40" 51 1 51 9 parsed_1vd4 1
17 "! 41" 54 1 54 9 parsed_1vd4 1
18 "! 42" 57 1 57 9 parsed_1vd4 1
19 "! 44" 60 1 60 9 parsed_1vd4 1
20 "! 45" 63 1 63 9 parsed_1vd4 1
21 "! 48" 66 1 66 9 parsed_1vd4 1
22 "! 49" 69 1 69 78 parsed_1vd4 1
23 "! 50" 72 1 72 76 parsed_1vd4 1
24
;
-------------------------------------------------------------------------------------------
-------------------------------------------------------------------------------------------
Chi
-------------------------------------------------------------------------------------------
;
76 1 80 93 parsed_1vd4 1
25 ------------------------------------------------------------------------------------------- 144 1 144 93 parsed_1vd4 1
stop_
save_
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