NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
36566 |
1ntq   |
5775 | cing | 2-parsed | STAR | dihedral angle | 45 |
data_1ntq_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1ntq
_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_1ntq 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1ntq
_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 1ntq "Master copy" parsed_1ntq
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1ntq
_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 1ntq.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1ntq 1
1 1ntq.mr . . DISCOVER 2 distance "hydrogen bond" simple 18 parsed_1ntq 1
1 1ntq.mr . . DISCOVER 3 distance NOE simple 148 parsed_1ntq 1
1 1ntq.mr . . DISCOVER 4 "dihedral angle" "Not applicable" "Not applicable" 59 parsed_1ntq 1
1 1ntq.mr . . DISCOVER 5 "dihedral angle" "Not applicable" "Not applicable" 45 parsed_1ntq 1
1 1ntq.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1ntq 1
stop_
save_
save_Discover_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1ntq
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . B 1 C5' O3' B 2 C P B 2 C O5' B 2 C C5' parsed_1ntq 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . B 2 C O3' B 3 U P B 3 U O5' B 3 U C5' parsed_1ntq 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . B 3 U O3' B 4 C P B 4 C O5' B 4 C C5' parsed_1ntq 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . B 4 C O3' B 5 C P B 5 C O5' B 5 C C5' parsed_1ntq 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . B 5 C O3' B 6 U P B 6 U O5' B 6 U C5' parsed_1ntq 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . B 6 U O3' B 7 U3' P B 7 U3' O5' B 7 U3' C5' parsed_1ntq 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . B 2 C P B 2 C O5' B 2 C C5' B 2 C C4' parsed_1ntq 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . B 3 U P B 3 U O5' B 3 U C5' B 3 U C4' parsed_1ntq 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . B 4 C P B 4 C O5' B 4 C C5' B 4 C C4' parsed_1ntq 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . B 5 C P B 5 C O5' B 5 C C5' B 5 C C4' parsed_1ntq 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . B 6 U P B 6 U O5' B 6 U C5' B 6 U C4' parsed_1ntq 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . B 7 U3' P B 7 U3' O5' B 7 U3' C5' B 7 U3' C4' parsed_1ntq 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . B 1 C5' O5' B 1 C5' C5' B 1 C5' C4' B 1 C5' C3' parsed_1ntq 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . B 2 C O5' B 2 C C5' B 2 C C4' B 2 C C3' parsed_1ntq 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . B 3 U O5' B 3 U C5' B 3 U C4' B 3 U C3' parsed_1ntq 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . B 4 C O5' B 4 C C5' B 4 C C4' B 4 C C3' parsed_1ntq 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . B 5 C O5' B 5 C C5' B 5 C C4' B 5 C C3' parsed_1ntq 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . B 6 U O5' B 6 U C5' B 6 U C4' B 6 U C3' parsed_1ntq 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . B 7 U3' O5' B 7 U3' C5' B 7 U3' C4' B 7 U3' C3' parsed_1ntq 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . B 1 C5' C5' B 1 C5' C4' B 1 C5' C3' B 1 C5' O3' parsed_1ntq 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . B 2 C C5' B 2 C C4' B 2 C C3' B 2 C O3' parsed_1ntq 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . B 3 U C5' B 3 U C4' B 3 U C3' B 3 U O3' parsed_1ntq 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . B 4 C C5' B 4 C C4' B 4 C C3' B 4 C O3' parsed_1ntq 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . B 5 C C5' B 5 C C4' B 5 C C3' B 5 C O3' parsed_1ntq 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . B 6 U C5' B 6 U C4' B 6 U C3' B 6 U O3' parsed_1ntq 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . B 7 U3' C5' B 7 U3' C4' B 7 U3' C3' B 7 U3' O3' parsed_1ntq 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -90.0 . B 1 C5' C4' B 1 C5' C3' B 1 C5' O3' B 2 C P parsed_1ntq 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -90.0 . B 2 C C4' B 2 C C3' B 2 C O3' B 3 U P parsed_1ntq 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -90.0 . B 3 U C4' B 3 U C3' B 3 U O3' B 4 C P parsed_1ntq 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -90.0 . B 4 C C4' B 4 C C3' B 4 C O3' B 5 C P parsed_1ntq 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -90.0 . B 5 C C4' B 5 C C3' B 5 C O3' B 6 U P parsed_1ntq 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -90.0 . B 6 U C4' B 6 U C3' B 6 U O3' B 7 U3' P parsed_1ntq 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . B 1 C5' C3' B 1 C5' O3' B 2 C P B 2 C O5' parsed_1ntq 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . B 2 C C3' B 2 C O3' B 3 U P B 3 U O5' parsed_1ntq 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . B 3 U C3' B 3 U O3' B 4 C P B 4 C O5' parsed_1ntq 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . B 4 C C3' B 4 C O3' B 5 C P B 5 C O5' parsed_1ntq 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . B 5 C C3' B 5 C O3' B 6 U P B 6 U O5' parsed_1ntq 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . B 6 U C3' B 6 U O3' B 7 U3' P B 7 U3' O5' parsed_1ntq 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 60.0 . B 1 C5' O4' B 1 C5' C1' B 1 C5' N1 B 1 C5' C2 parsed_1ntq 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 60.0 . B 2 C O4' B 2 C C1' B 2 C N1 B 2 C C2 parsed_1ntq 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 60.0 . B 3 U O4' B 3 U C1' B 3 U N1 B 3 U C2 parsed_1ntq 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 60.0 . B 4 C O4' B 4 C C1' B 4 C N1 B 4 C C2 parsed_1ntq 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 60.0 . B 5 C O4' B 5 C C1' B 5 C N1 B 5 C C2 parsed_1ntq 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 60.0 . B 6 U O4' B 6 U C1' B 6 U N1 B 6 U C2 parsed_1ntq 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 60.0 . B 7 U3' O4' B 7 U3' C1' B 7 U3' N1 B 7 U3' C2 parsed_1ntq 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
;
3J_dihedral
alpha P-O5'; first strand
;
2 1 4 1 parsed_1ntq 1
2
;
beta O5'-C5'; first strand
;
11 1 14 1 parsed_1ntq 1
3
;
gamma C5'-C4'; first strand
;
21 1 24 1 parsed_1ntq 1
4
;
delta C4'-C3'; first strand
;
32 1 35 1 parsed_1ntq 1
5
;
epsilon C3'-O3'; first strand
;
43 1 47 1 parsed_1ntq 1
6
;
zeta O3'-P; first strand
;
54 1 57 1 parsed_1ntq 1
7
;
chi Glycosidic torsions; strand 1
;
64 1 67 1 parsed_1ntq 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 "150.0 180.0 -180.0 -150.0 -90.0 -30.0" 5 116 5 152 parsed_1ntq 1
2 "150.0 180.0 -180.0 -150.0 -90.0 -30.0" 6 116 6 152 parsed_1ntq 1
3 "150.0 180.0 -180.0 -150.0 -90.0 -30.0" 7 116 7 152 parsed_1ntq 1
4 "150.0 180.0 -180.0 -150.0 -90.0 -30.0" 8 116 8 152 parsed_1ntq 1
5 "150.0 180.0 -180.0 -150.0 -90.0 -30.0" 9 116 9 152 parsed_1ntq 1
6 "150.0 180.0 -180.0 -150.0 -90.0 -30.0" 10 116 10 152 parsed_1ntq 1
7 "-180.0 -90.0" 15 117 15 128 parsed_1ntq 1
8 "-180.0 -90.0" 16 117 16 128 parsed_1ntq 1
9 "-180.0 -90.0" 17 117 17 128 parsed_1ntq 1
10 "-180.0 -90.0" 18 117 18 128 parsed_1ntq 1
11 "-180.0 -90.0" 19 117 19 128 parsed_1ntq 1
12 "-180.0 -90.0" 20 117 20 128 parsed_1ntq 1
13 "150.0 180.0 -180.0 -30.0" 25 116 25 139 parsed_1ntq 1
14 "150.0 180.0 -180.0 -30.0" 26 116 26 139 parsed_1ntq 1
15 "150.0 180.0 -180.0 -30.0" 27 116 27 139 parsed_1ntq 1
16 "150.0 180.0 -180.0 -30.0" 28 116 28 139 parsed_1ntq 1
17 "150.0 180.0 -180.0 -30.0" 29 116 29 139 parsed_1ntq 1
18 "150.0 180.0 -180.0 -30.0" 30 116 30 139 parsed_1ntq 1
19 "150.0 180.0 -180.0 -30.0" 31 116 31 139 parsed_1ntq 1
20 "150.0 180.0 -180.0 -150.0 -90.0 -30.0" 58 116 58 152 parsed_1ntq 1
21 "150.0 180.0 -180.0 -150.0 -90.0 -30.0" 59 116 59 152 parsed_1ntq 1
22 "150.0 180.0 -180.0 -150.0 -90.0 -30.0" 60 116 60 152 parsed_1ntq 1
23 "150.0 180.0 -180.0 -150.0 -90.0 -30.00" 61 116 61 153 parsed_1ntq 1
24 "150.0 180.0 -180.0 -150.0 -90.0 -30.0" 62 116 62 152 parsed_1ntq 1
25 "150.0 180.0 -180.0 -150.0 -90.0 -30.0" 63 116 63 152 parsed_1ntq 1
26 "-180.0 -120.0" 68 115 68 127 parsed_1ntq 1
27 "-180.0 -120.0" 69 115 69 127 parsed_1ntq 1
28 "-180.0 -120.0" 70 115 70 127 parsed_1ntq 1
29 "-180.0 -120.0" 71 115 71 127 parsed_1ntq 1
30 "-180.0 -120.0" 72 115 72 127 parsed_1ntq 1
31 "-180.0 -120.0" 73 115 73 127 parsed_1ntq 1
32 "-180.0 -120.0" 74 115 74 127 parsed_1ntq 1
stop_
save_
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