NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | program | type | item_count |
|
|
29278 |
1aoy   |
cing | recoord | dress | 2-parsed | STAR | dihedral angle | 60 |
data_1aoy_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1aoy
_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_1aoy 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1aoy
_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 1aoy "Master copy" parsed_1aoy
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1aoy
_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 1aoy.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1aoy 1
1 1aoy.mr . . XPLOR/CNS 2 distance NOE ambi 2336 parsed_1aoy 1
1 1aoy.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_1aoy 1
1 1aoy.mr . . XPLOR/CNS 4 distance "hydrogen bond" ambi 0 parsed_1aoy 1
1 1aoy.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1aoy 1
1 1aoy.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 60 parsed_1aoy 1
1 1aoy.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1aoy 1
stop_
save_
save_CNS/XPLOR_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1aoy
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 6
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_1aoy 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_1aoy 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_1aoy 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_1aoy 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_1aoy 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_1aoy 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_1aoy 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_1aoy 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_1aoy 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_1aoy 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_1aoy 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140 -100 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_1aoy 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_1aoy 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_1aoy 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_1aoy 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_1aoy 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_1aoy 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_1aoy 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_1aoy 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_1aoy 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_1aoy 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 42 . C . 43 . N . 43 . CA . 43 . C parsed_1aoy 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_1aoy 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 44 . C . 45 . N . 45 . CA . 45 . C parsed_1aoy 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 45 . C . 46 . N . 46 . CA . 46 . C parsed_1aoy 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 46 . C . 47 . N . 47 . CA . 47 . C parsed_1aoy 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 47 . C . 48 . N . 48 . CA . 48 . C parsed_1aoy 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 48 . C . 49 . N . 49 . CA . 49 . C parsed_1aoy 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 49 . C . 50 . N . 50 . CA . 50 . C parsed_1aoy 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 50 . C . 51 . N . 51 . CA . 51 . C parsed_1aoy 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 51 . C . 52 . N . 52 . CA . 52 . C parsed_1aoy 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 54 . C . 55 . N . 55 . CA . 55 . C parsed_1aoy 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140 -100 . . 55 . C . 56 . N . 56 . CA . 56 . C parsed_1aoy 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 56 . C . 57 . N . 57 . CA . 57 . C parsed_1aoy 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 57 . C . 58 . N . 58 . CA . 58 . C parsed_1aoy 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 59 . C . 60 . N . 60 . CA . 60 . C parsed_1aoy 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 60 . C . 61 . N . 61 . CA . 61 . C parsed_1aoy 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140 -100 . . 61 . C . 62 . N . 62 . CA . 62 . C parsed_1aoy 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 63 . C . 64 . N . 64 . CA . 64 . C parsed_1aoy 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 65 . C . 66 . N . 66 . CA . 66 . C parsed_1aoy 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 67 . C . 68 . N . 68 . CA . 68 . C parsed_1aoy 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 70 . C . 71 . N . 71 . CA . 71 . C parsed_1aoy 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155 205 . . 10 . N . 10 . CA . 10 . CB . 10 . CG parsed_1aoy 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155 205 . . 14 . N . 14 . CA . 14 . CB . 14 . CG parsed_1aoy 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85 -35 . . 15 . N . 15 . CA . 15 . CB . 15 . CG parsed_1aoy 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85 -35 . . 17 . N . 17 . CA . 17 . CB . 17 . CG parsed_1aoy 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85 -35 . . 18 . N . 18 . CA . 18 . CB . 18 . CG parsed_1aoy 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85 -35 . . 20 . N . 20 . CA . 20 . CB . 20 . CG parsed_1aoy 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35 85 . . 25 . N . 25 . CA . 25 . CB . 25 . OG parsed_1aoy 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85 -35 . . 26 . N . 26 . CA . 26 . CB . 26 . CG parsed_1aoy 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85 -35 . . 33 . N . 33 . CA . 33 . CB . 33 . CG parsed_1aoy 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85 -35 . . 36 . N . 36 . CA . 36 . CB . 36 . CG parsed_1aoy 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85 -35 . . 38 . N . 38 . CA . 38 . CB . 38 . CG parsed_1aoy 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35 85 . . 42 . N . 42 . CA . 42 . CB . 42 . CG parsed_1aoy 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85 -35 . . 48 . N . 48 . CA . 48 . CB . 48 . CG parsed_1aoy 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85 -35 . . 49 . N . 49 . CA . 49 . CB . 49 . CG parsed_1aoy 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85 -35 . . 50 . N . 50 . CA . 50 . CB . 50 . CG parsed_1aoy 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85 -35 . . 53 . N . 53 . CA . 53 . CB . 53 . CG parsed_1aoy 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85 -35 . . 62 . N . 62 . CA . 62 . CB . 62 . CG parsed_1aoy 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85 -35 . . 65 . N . 65 . CA . 65 . CB . 65 . CG parsed_1aoy 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
;
for couplings 1 < 5.5 Hz: -80 to -40
for couplings 1 > 8 Hz: -160 to -80
for couplings 1 > 9 Hz: -140 to -100
MET 1 -
ARG 2 -
SER 3 -
SER 4 -
ALA 5 -
LYS 6 -
GLN 7 -
GLU 8
;
1 1 14 12 parsed_1aoy 1
2
;
GLU 9 -
LEU 10
;
16 1 17 12 parsed_1aoy 1
3 "VAL 11" 19 1 19 12 parsed_1aoy 1
4 "LYS 12" 21 1 21 12 parsed_1aoy 1
5 "ALA 13" 23 1 23 12 parsed_1aoy 1
6 "PHE 14" 25 1 25 12 parsed_1aoy 1
7 "LYS 15" 27 1 27 12 parsed_1aoy 1
8 "ALA 16" 29 1 29 12 parsed_1aoy 1
9 "LEU 17" 31 1 31 12 parsed_1aoy 1
10 "LEU 18" 33 1 33 12 parsed_1aoy 1
11 "LYS 19" 35 1 35 12 parsed_1aoy 1
12
;
GLU 20 -
GLU 21 -
LYS 22
;
37 1 39 12 parsed_1aoy 1
13
;
PHE 23 -
SER 24
;
41 1 42 12 parsed_1aoy 1
14 "SER 25" 44 1 44 12 parsed_1aoy 1
15 "GLN 26" 46 1 46 12 parsed_1aoy 1
16
;
GLY 27
GLU 28
;
48 1 49 12 parsed_1aoy 1
17
;
ILE 29 -
VAL 30
;
51 1 52 12 parsed_1aoy 1
18 "ALA 31" 54 1 54 12 parsed_1aoy 1
19 "ALA 32" 56 1 56 12 parsed_1aoy 1
20 "LEU 33" 58 1 58 12 parsed_1aoy 1
21 "GLN 34" 60 1 60 12 parsed_1aoy 1
22
;
GLU 35 -
GLN 36 -
GLY 37
PHE 38 -
ASP 39 -
ASN 40 -
ILE 41 -
ASN 42 -
GLN 43
;
62 1 70 12 parsed_1aoy 1
23 "SER 44" 72 1 72 12 parsed_1aoy 1
24 "LYS 45" 74 1 74 12 parsed_1aoy 1
25 "VAL 46" 76 1 76 12 parsed_1aoy 1
26 "SER 47" 78 1 78 12 parsed_1aoy 1
27 "ARG 48" 80 1 80 12 parsed_1aoy 1
28 "MET 49" 82 1 82 12 parsed_1aoy 1
29 "LEU 50" 84 1 84 12 parsed_1aoy 1
30 "THR 51" 86 1 86 12 parsed_1aoy 1
31 "LYS 52" 88 1 88 12 parsed_1aoy 1
32
;
PHE 53 -
GLY 54
ALA 55
;
90 1 92 13 parsed_1aoy 1
33 "VAL 56" 94 1 94 12 parsed_1aoy 1
34 "ARG 57" 96 1 96 12 parsed_1aoy 1
35 "THR 58" 98 1 98 12 parsed_1aoy 1
36
;
ARG 59 -
ASN 60
;
100 1 101 12 parsed_1aoy 1
37 "ALA 61" 103 1 103 12 parsed_1aoy 1
38 "LYS 62" 105 1 105 12 parsed_1aoy 1
39
;
MET 63 -
GLU 64
;
107 1 108 12 parsed_1aoy 1
40
;
MET 65 -
VAL 66
;
110 1 111 12 parsed_1aoy 1
41
;
TYR 67 -
CYS 68
;
113 1 114 12 parsed_1aoy 1
42
;
LEU 69 -
PRO 70
ALA 71
;
116 1 118 12 parsed_1aoy 1
43
;
GLU 72 -
LEU 73 -
GLY 74 -
VAL 75 -
PRO 76 -
THR 77 -
THR 78 -
;
120 1 126 14 parsed_1aoy 1
44 "chi restraints" 129 1 129 23 parsed_1aoy 1
stop_
save_
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