NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
648762 |
6yfy   |
50202 | cing | 2-parsed | STAR | dihedral angle | 48 |
data_6yfy_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6yfy
_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_6yfy 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6yfy
_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 6yfy "Master copy" parsed_6yfy
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6yfy
_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 6yfy.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6yfy 1
1 6yfy.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 48 parsed_6yfy 1
1 6yfy.mr . . XPLOR/CNS 3 distance NOE ambi 0 parsed_6yfy 1
1 6yfy.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 parsed_6yfy 1
1 6yfy.mr . . XPLOR/CNS 5 distance "general distance" ambi 0 parsed_6yfy 1
1 6yfy.mr . . XPLOR/CNS 6 distance "hydrogen bond" simple 0 parsed_6yfy 1
1 6yfy.mr . . XPLOR/CNS 7 distance "general distance" ambi 0 parsed_6yfy 1
1 6yfy.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6yfy 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6yfy
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.45 -84.45 . A 1 . c A 2 . n A 2 . ca A 2 . c parsed_6yfy 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.37 -108.37 . A 2 . c A 3 . n A 3 . ca A 3 . c parsed_6yfy 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.15 147.15 . A 3 . c A 4 . n A 4 . ca A 4 . c parsed_6yfy 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.12 147.12 . A 4 . c A 5 . n A 5 . ca A 5 . c parsed_6yfy 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.31 -113.31 . A 5 . c A 6 . n A 6 . ca A 6 . c parsed_6yfy 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.52 -111.52 . A 6 . c A 7 . n A 7 . ca A 7 . c parsed_6yfy 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.77 149.77 . A 2 . n A 2 . ca A 2 . c A 3 . n parsed_6yfy 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 141.79 181.79 . A 3 . n A 3 . ca A 3 . c A 4 . n parsed_6yfy 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.04 -120.04 . A 4 . n A 4 . ca A 4 . c A 5 . n parsed_6yfy 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.1 -140.1 . A 5 . n A 5 . ca A 5 . c A 6 . n parsed_6yfy 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.80 152.80 . A 6 . n A 6 . ca A 6 . c A 7 . n parsed_6yfy 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 153.31 193.31 . A 7 . n A 7 . ca A 7 . c A 8 . n parsed_6yfy 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.45 -84.45 . B 1 . c B 2 . n B 2 . ca B 2 . c parsed_6yfy 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.37 -108.37 . B 2 . c B 3 . n B 3 . ca B 3 . c parsed_6yfy 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.15 147.15 . B 3 . c B 4 . n B 4 . ca B 4 . c parsed_6yfy 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.12 147.12 . B 4 . c B 5 . n B 5 . ca B 5 . c parsed_6yfy 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.31 -113.31 . B 5 . c B 6 . n B 6 . ca B 6 . c parsed_6yfy 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.52 -111.52 . B 6 . c B 7 . n B 7 . ca B 7 . c parsed_6yfy 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.77 149.77 . B 2 . n B 2 . ca B 2 . c B 3 . n parsed_6yfy 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 141.79 181.79 . B 3 . n B 3 . ca B 3 . c B 4 . n parsed_6yfy 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.04 -120.04 . B 4 . n B 4 . ca B 4 . c B 5 . n parsed_6yfy 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.1 -140.1 . B 5 . n B 5 . ca B 5 . c B 6 . n parsed_6yfy 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.80 152.80 . B 6 . n B 6 . ca B 6 . c B 7 . n parsed_6yfy 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 153.31 193.31 . B 7 . n B 7 . ca B 7 . c B 8 . n parsed_6yfy 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.45 -84.45 . E 1 . c E 2 . n E 2 . ca E 2 . c parsed_6yfy 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.37 -108.37 . E 2 . c E 3 . n E 3 . ca E 3 . c parsed_6yfy 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.15 147.15 . E 3 . c E 4 . n E 4 . ca E 4 . c parsed_6yfy 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.12 147.12 . E 4 . c E 5 . n E 5 . ca E 5 . c parsed_6yfy 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.31 -113.31 . E 5 . c E 6 . n E 6 . ca E 6 . c parsed_6yfy 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.52 -111.52 . E 6 . c E 7 . n E 7 . ca E 7 . c parsed_6yfy 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.77 149.77 . E 2 . n E 2 . ca E 2 . c E 3 . n parsed_6yfy 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 141.79 181.79 . E 3 . n E 3 . ca E 3 . c E 4 . n parsed_6yfy 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.04 -120.04 . E 4 . n E 4 . ca E 4 . c E 5 . n parsed_6yfy 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.1 -140.1 . E 5 . n E 5 . ca E 5 . c E 6 . n parsed_6yfy 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.80 152.80 . E 6 . n E 6 . ca E 6 . c E 7 . n parsed_6yfy 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 153.31 193.31 . E 7 . n E 7 . ca E 7 . c E 8 . n parsed_6yfy 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.45 -84.45 . F 1 . c F 2 . n F 2 . ca F 2 . c parsed_6yfy 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.37 -108.37 . F 2 . c F 3 . n F 3 . ca F 3 . c parsed_6yfy 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.15 147.15 . F 3 . c F 4 . n F 4 . ca F 4 . c parsed_6yfy 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.12 147.12 . F 4 . c F 5 . n F 5 . ca F 5 . c parsed_6yfy 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.31 -113.31 . F 5 . c F 6 . n F 6 . ca F 6 . c parsed_6yfy 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.52 -111.52 . F 6 . c F 7 . n F 7 . ca F 7 . c parsed_6yfy 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.77 149.77 . F 2 . n F 2 . ca F 2 . c F 3 . n parsed_6yfy 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 141.79 181.79 . F 3 . n F 3 . ca F 3 . c F 4 . n parsed_6yfy 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.04 -120.04 . F 4 . n F 4 . ca F 4 . c F 5 . n parsed_6yfy 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.1 -140.1 . F 5 . n F 5 . ca F 5 . c F 6 . n parsed_6yfy 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.80 152.80 . F 6 . n F 6 . ca F 6 . c F 7 . n parsed_6yfy 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 153.31 193.31 . F 7 . n F 7 . ca F 7 . c F 8 . n parsed_6yfy 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
;
>>>>>>>>>>>>>>>>>>>>>>
<<<<<<<<<<<<<<<<<<<<<<
TORSIONAL ANGLES
<<<<<<<<<<<<<<<<<<<<<<
Phi torsional restraints
! I2
;
3 1 12 6 parsed_6yfy 1
2 "! S3" 15 1 15 6 parsed_6yfy 1
3 "! DAR4" 18 1 18 8 parsed_6yfy 1
4 "! 28J5" 21 1 21 8 parsed_6yfy 1
5 "! I6" 24 1 24 6 parsed_6yfy 1
6 "! S7" 27 1 27 6 parsed_6yfy 1
7
;
Psi torsional restraints
! I2
;
31 1 32 6 parsed_6yfy 1
8 "! S3" 35 1 35 6 parsed_6yfy 1
9 "! DAR4" 38 1 38 8 parsed_6yfy 1
10 "! 28J5" 41 1 41 8 parsed_6yfy 1
11 "! I6" 44 1 44 6 parsed_6yfy 1
12 "! S7" 47 1 47 6 parsed_6yfy 1
13
;
SEGID B TEIXO-B
Phi torsional restraints
! I2
;
52 1 55 6 parsed_6yfy 1
14 "! S3" 58 1 58 6 parsed_6yfy 1
15 "! DAR4" 61 1 61 8 parsed_6yfy 1
16 "! 28J5" 64 1 64 8 parsed_6yfy 1
17 "! I6" 67 1 67 6 parsed_6yfy 1
18 "! S7" 70 1 70 6 parsed_6yfy 1
19
;
Psi torsional restraints
! I2
;
74 1 75 6 parsed_6yfy 1
20 "! S3" 78 1 78 6 parsed_6yfy 1
21 "! DAR4" 81 1 81 8 parsed_6yfy 1
22 "! 28J5" 84 1 84 8 parsed_6yfy 1
23 "! I6" 87 1 87 6 parsed_6yfy 1
24 "! S7" 90 1 90 6 parsed_6yfy 1
25
;
segid E TEIXO-C
Phi torsional restraints
! I2
;
95 1 99 6 parsed_6yfy 1
26 "! S3" 102 1 102 6 parsed_6yfy 1
27 "! DAR4" 105 1 105 8 parsed_6yfy 1
28 "! 28J5" 108 1 108 8 parsed_6yfy 1
29 "! I6" 111 1 111 6 parsed_6yfy 1
30 "! S7" 114 1 114 6 parsed_6yfy 1
31
;
Psi torsional restraints
! I2
;
118 1 119 6 parsed_6yfy 1
32 "! S3" 122 1 122 6 parsed_6yfy 1
33 "! DAR4" 125 1 125 8 parsed_6yfy 1
34 "! 28J5" 128 1 128 8 parsed_6yfy 1
35 "! I6" 131 1 131 6 parsed_6yfy 1
36 "! S7" 134 1 134 6 parsed_6yfy 1
37
;
segid F TEIXO-D
Phi torsional restraints
! I2
;
139 1 142 6 parsed_6yfy 1
38 "! S3" 145 1 145 6 parsed_6yfy 1
39 "! DAR4" 148 1 148 8 parsed_6yfy 1
40 "! 28J5" 151 1 151 8 parsed_6yfy 1
41 "! I6" 154 1 154 6 parsed_6yfy 1
42 "! S7" 157 1 157 6 parsed_6yfy 1
43
;
Psi torsional restraints
! I2
;
161 1 162 6 parsed_6yfy 1
44 "! S3" 165 1 165 6 parsed_6yfy 1
45 "! DAR4" 168 1 168 8 parsed_6yfy 1
46 "! 28J5" 171 1 171 8 parsed_6yfy 1
47 "! I6" 174 1 174 6 parsed_6yfy 1
48 "! S7" 177 1 177 6 parsed_6yfy 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 file 1: Restraints.tbl" 1 1 1 35 parsed_6yfy 1
stop_
save_
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