NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
37841 |
1q9p   |
5967 | cing | 2-parsed | STAR | dihedral angle | 47 |
data_1q9p_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1q9p
_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_1q9p 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1q9p
_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 1q9p "Master copy" parsed_1q9p
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1q9p
_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 1q9p.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1q9p 1
1 1q9p.mr . . XPLOR/CNS 2 distance NOE simple 761 parsed_1q9p 1
1 1q9p.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 47 parsed_1q9p 1
1 1q9p.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 parsed_1q9p 1
1 1q9p.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_1q9p 1
1 1q9p.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1q9p 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1q9p
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_1q9p 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_1q9p 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_1q9p 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_1q9p 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_1q9p 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_1q9p 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_1q9p 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_1q9p 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_1q9p 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_1q9p 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_1q9p 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 45 . C . 46 . N . 46 . CA . 46 . C parsed_1q9p 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 46 . C . 47 . N . 47 . CA . 47 . C parsed_1q9p 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 53 . C . 54 . N . 54 . CA . 54 . C parsed_1q9p 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 55 . C . 56 . N . 56 . CA . 56 . C parsed_1q9p 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 58 . C . 59 . N . 59 . CA . 59 . C parsed_1q9p 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 63 . C . 64 . N . 64 . CA . 64 . C parsed_1q9p 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 64 . C . 65 . N . 65 . CA . 65 . C parsed_1q9p 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 68 . C . 69 . N . 69 . CA . 69 . C parsed_1q9p 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 70 . C . 71 . N . 71 . CA . 71 . C parsed_1q9p 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 71 . C . 72 . N . 72 . CA . 72 . C parsed_1q9p 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 74 . C . 75 . N . 75 . CA . 75 . C parsed_1q9p 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 76 . C . 77 . N . 77 . CA . 77 . C parsed_1q9p 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_1q9p 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_1q9p 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_1q9p 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_1q9p 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 79 . C . 80 . N . 80 . CA . 80 . C parsed_1q9p 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 87 . C . 88 . N . 88 . CA . 88 . C parsed_1q9p 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 89 . C . 90 . N . 90 . CA . 90 . C parsed_1q9p 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 90 . C . 91 . N . 91 . CA . 91 . C parsed_1q9p 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 18 . N . 18 . CA . 18 . CB . 18 . CG parsed_1q9p 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 19 . N . 19 . CA . 19 . CB . 19 . CG parsed_1q9p 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 23 . N . 23 . CA . 23 . CB . 23 . CG parsed_1q9p 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 26 . N . 26 . CA . 26 . CB . 26 . OG1 parsed_1q9p 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 30 . N . 30 . CA . 30 . CB . 30 . CG parsed_1q9p 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 60 . N . 60 . CA . 60 . CB . 60 . CG parsed_1q9p 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 66 . N . 66 . CA . 66 . CB . 66 . CG1 parsed_1q9p 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 74 . N . 74 . CA . 74 . CB . 74 . OG1 parsed_1q9p 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 82 . N . 82 . CA . 82 . CB . 82 . CG2 parsed_1q9p 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 83 . N . 83 . CA . 83 . CB . 83 . CG parsed_1q9p 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 89 . N . 89 . CA . 89 . CB . 89 . CG parsed_1q9p 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 5 . N . 5 . CA . 5 . CB . 5 . CG parsed_1q9p 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 13 . N . 13 . CA . 13 . CB . 13 . CG1 parsed_1q9p 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 80 . N . 80 . CA . 80 . CB . 80 . OG1 parsed_1q9p 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 84 . N . 84 . CA . 84 . CB . 84 . CG1 parsed_1q9p 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 92 . N . 92 . CA . 92 . CB . 92 . CG parsed_1q9p 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
;
ANGLE
backbone phi
extended
;
2 1 7 12 parsed_1q9p 1
2 helical 54 1 54 11 parsed_1q9p 1
3
;
assign (resid 33 and name C) (resid 34 and name N)
(resid 34 and name CA) (resid 34 and name C) 1.0 -65.0 25.0 2
;
61 1 62 82 parsed_1q9p 1
4
;
chi one
GLN 18
;
74 1 75 11 parsed_1q9p 1
5 "LEU 19" 78 1 78 11 parsed_1q9p 1
6 "LEU 23" 81 1 81 11 parsed_1q9p 1
7 "THR 26" 84 1 84 11 parsed_1q9p 1
8 "ASP 30" 87 1 87 11 parsed_1q9p 1
9 "ASP 60" 90 1 90 11 parsed_1q9p 1
10 "ILE 66" 93 1 93 11 parsed_1q9p 1
11 "THR 74" 96 1 96 11 parsed_1q9p 1
12 "VAL 82" 99 1 99 11 parsed_1q9p 1
13 "ASN 83" 102 1 102 11 parsed_1q9p 1
14 "LEU 89" 105 1 105 11 parsed_1q9p 1
15 "LEU 5" 108 1 110 10 parsed_1q9p 1
16 "ILE 13" 113 1 113 11 parsed_1q9p 1
17 "THR 80" 116 1 118 11 parsed_1q9p 1
18 "ILE 84" 121 1 121 11 parsed_1q9p 1
19 "GLN 92" 124 1 124 11 parsed_1q9p 1
20
;
chi two
EXAMPLE 00
assign (resid 00 and name CA) (resid 00 and name CB)
(resid 00 and name CG) (resid 00 and name CD1) 1.0 180.0 40.0
;
128 1 131 81 parsed_1q9p 1
stop_
save_
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