NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | program | type | item_count |
|
|
32265 |
1fow   |
cing | recoord | dress | 2-parsed | STAR | dihedral angle | 55 |
data_1fow_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1fow
_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_1fow 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1fow
_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 1fow "Master copy" parsed_1fow
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1fow
_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 1fow.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1fow 1
1 1fow.mr . . XPLOR/CNS 2 distance NOE simple 483 parsed_1fow 1
1 1fow.mr . . XPLOR/CNS 3 distance NOE simple 400 parsed_1fow 1
1 1fow.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 30 parsed_1fow 1
1 1fow.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 55 parsed_1fow 1
1 1fow.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1fow 1
1 1fow.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1fow 1
stop_
save_
save_CNS/XPLOR_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1fow
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 5
_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 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_1fow 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 69 . C . 70 . N . 70 . CA . 70 . C parsed_1fow 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 72 . C . 73 . N . 73 . CA . 73 . C parsed_1fow 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 73 . C . 74 . N . 74 . CA . 74 . C parsed_1fow 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 74 . C . 75 . N . 75 . CA . 75 . C parsed_1fow 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_1fow 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_1fow 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_1fow 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_1fow 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_1fow 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_1fow 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_1fow 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 36 . C . 37 . N . 37 . CA . 37 . C parsed_1fow 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 37 . C . 38 . N . 38 . CA . 38 . C parsed_1fow 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_1fow 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 40 . C . 41 . N . 41 . CA . 41 . C parsed_1fow 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 41 . C . 42 . N . 42 . CA . 42 . C parsed_1fow 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 42 . C . 43 . N . 43 . CA . 43 . C parsed_1fow 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_1fow 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 44 . C . 45 . N . 45 . CA . 45 . C parsed_1fow 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 45 . C . 46 . N . 46 . CA . 46 . C parsed_1fow 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 47 . C . 48 . N . 48 . CA . 48 . C parsed_1fow 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 53 . C . 54 . N . 54 . CA . 54 . C parsed_1fow 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 55 . C . 56 . N . 56 . CA . 56 . C parsed_1fow 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 56 . C . 57 . N . 57 . CA . 57 . C parsed_1fow 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 57 . C . 58 . N . 58 . CA . 58 . C parsed_1fow 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 58 . C . 59 . N . 59 . CA . 59 . C parsed_1fow 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 59 . C . 60 . N . 60 . CA . 60 . C parsed_1fow 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 60 . C . 61 . N . 61 . CA . 61 . C parsed_1fow 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 61 . C . 62 . N . 62 . CA . 62 . C parsed_1fow 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 62 . C . 63 . N . 63 . CA . 63 . C parsed_1fow 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 63 . C . 64 . N . 64 . CA . 64 . C parsed_1fow 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 65 . C . 66 . N . 66 . CA . 66 . C parsed_1fow 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 66 . C . 67 . N . 67 . CA . 67 . C parsed_1fow 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 68 . C . 69 . N . 69 . CA . 69 . C parsed_1fow 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 12 . N . 12 . CA . 12 . CB . 12 . CG1 parsed_1fow 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 13 . N . 13 . CA . 13 . CB . 13 . CG parsed_1fow 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 14 . N . 14 . CA . 14 . CB . 14 . CG parsed_1fow 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 15 . N . 15 . CA . 15 . CB . 15 . CG parsed_1fow 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 26 . N . 26 . CA . 26 . CB . 26 . CG parsed_1fow 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 32 . N . 32 . CA . 32 . CB . 32 . CG1 parsed_1fow 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 36 . N . 36 . CA . 36 . CB . 36 . CG parsed_1fow 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 37 . N . 37 . CA . 37 . CB . 37 . CG parsed_1fow 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 40 . N . 40 . CA . 40 . CB . 40 . CG1 parsed_1fow 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 41 . N . 41 . CA . 41 . CB . 41 . CG parsed_1fow 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 47 . N . 47 . CA . 47 . CB . 47 . CG parsed_1fow 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 50 . N . 50 . CA . 50 . CB . 50 . CG parsed_1fow 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 55 . N . 55 . CA . 55 . CB . 55 . OG parsed_1fow 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 57 . N . 57 . CA . 57 . CB . 57 . CG parsed_1fow 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 62 . N . 62 . CA . 62 . CB . 62 . CG parsed_1fow 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 70 . N . 70 . CA . 70 . CB . 70 . CG parsed_1fow 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 73 . N . 73 . CA . 73 . CB . 73 . CG1 parsed_1fow 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 74 . N . 74 . CA . 74 . CB . 74 . CG1 parsed_1fow 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 13 . CA . 13 . CB . 13 . CG . 13 . CD1 parsed_1fow 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 14 . CA . 14 . CB . 14 . CG . 14 . CD1 parsed_1fow 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 START_OF_TOR_DATA 1 1 1 19 parsed_1fow 1
2
;
backbone phi
parallel beta sheet
;
5 1 6 23 parsed_1fow 1
3 "alpha helix #1" 17 1 17 18 parsed_1fow 1
4 "alpha helix #2" 30 1 30 18 parsed_1fow 1
5 "alpha helix #3" 53 1 53 18 parsed_1fow 1
6
;
chi one
VAL 12
;
80 1 81 11 parsed_1fow 1
7 "LEU 13" 84 1 84 11 parsed_1fow 1
8 "LEU 14" 87 1 87 11 parsed_1fow 1
9 "LYS 15" 90 1 90 11 parsed_1fow 1
10 "GLU 26" 93 1 93 11 parsed_1fow 1
11 "VAL 32" 96 1 96 11 parsed_1fow 1
12 "LYS 36" 99 1 99 11 parsed_1fow 1
13 "ARG 37" 102 1 102 11 parsed_1fow 1
14 "VAL 40" 105 1 105 11 parsed_1fow 1
15 "ARG 41" 108 1 108 11 parsed_1fow 1
16 "LYS 47" 111 1 111 11 parsed_1fow 1
17 "ASP 50" 114 1 114 11 parsed_1fow 1
18 "SER 55" 117 1 117 11 parsed_1fow 1
19 "GLU 57" 120 1 120 11 parsed_1fow 1
20 "MET 62" 123 1 123 11 parsed_1fow 1
21 "MET 70" 126 1 126 11 parsed_1fow 1
22 "VAL 73" 129 1 129 11 parsed_1fow 1
23 "VAL 74" 132 1 132 11 parsed_1fow 1
24
;
chi two
LEU 13
;
135 1 136 11 parsed_1fow 1
25 "LEU 14" 139 1 139 11 parsed_1fow 1
26 END_OF_DATA 142 1 142 13 parsed_1fow 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1
;
restraints
dihedral
reset
;
2 1 4 9 parsed_1fow 1
stop_
save_
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