NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
617860 |
5i2p   |
30011 | cing | 2-parsed | STAR | dihedral angle | 60 |
data_5i2p_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5i2p
_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_5i2p 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5i2p
_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 5i2p "Master copy" parsed_5i2p
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5i2p
_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 5i2p.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5i2p 1
1 5i2p.mr . . DYANA/DIANA 2 "dihedral angle" "Not applicable" "Not applicable" 354 parsed_5i2p 1
1 5i2p.mr . . DYANA/DIANA 3 distance NOE simple 523 parsed_5i2p 1
1 5i2p.mr . . DYANA/DIANA 4 distance "general distance" simple 18 parsed_5i2p 1
1 5i2p.mr . . DYANA/DIANA 5 "dihedral angle" "Not applicable" "Not applicable" 60 parsed_5i2p 1
1 5i2p.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5i2p 1
stop_
save_
save_DYANA/DIANA_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5i2p
_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 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154.0 -46.0 . . 2 GLU . . . . . . . . . . . . . parsed_5i2p 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.0 167.0 . . 2 GLU . . . . . . . . . . . . . parsed_5i2p 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.0 -42.0 . . 3 ASP . . . . . . . . . . . . . parsed_5i2p 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 82.0 194.0 . . 3 ASP . . . . . . . . . . . . . parsed_5i2p 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -70.0 . . 4 CYSS . . . . . . . . . . . . . parsed_5i2p 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.0 208.0 . . 4 CYSS . . . . . . . . . . . . . parsed_5i2p 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -54.0 . . 5 LEU . . . . . . . . . . . . . parsed_5i2p 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.0 185.0 . . 5 LEU . . . . . . . . . . . . . parsed_5i2p 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.0 -28.0 . . 7 ALA . . . . . . . . . . . . . parsed_5i2p 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.0 163.0 . . 7 ALA . . . . . . . . . . . . . parsed_5i2p 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 47.0 83.0 . . 8 PHE . . . . . . . . . . . . . parsed_5i2p 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -14.0 46.0 . . 8 PHE . . . . . . . . . . . . . parsed_5i2p 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -112.0 -64.0 . . 9 SER . . . . . . . . . . . . . parsed_5i2p 1
14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.0 160.0 . . 9 SER . . . . . . . . . . . . . parsed_5i2p 1
15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.0 -60.0 . . 10 ARG . . . . . . . . . . . . . parsed_5i2p 1
16 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 76.0 176.0 . . 10 ARG . . . . . . . . . . . . . parsed_5i2p 1
17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -176.0 -104.0 . . 11 CYSS . . . . . . . . . . . . . parsed_5i2p 1
18 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 143.0 179.0 . . 11 CYSS . . . . . . . . . . . . . parsed_5i2p 1
19 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -161.0 -45.0 . . 12 SER . . . . . . . . . . . . . parsed_5i2p 1
20 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 84.0 168.0 . . 12 SER . . . . . . . . . . . . . parsed_5i2p 1
21 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.0 -8.0 . . 13 PRO . . . . . . . . . . . . . parsed_5i2p 1
22 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -111.0 -67.0 . . 14 LYS . . . . . . . . . . . . . parsed_5i2p 1
23 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 27.0 . . 14 LYS . . . . . . . . . . . . . parsed_5i2p 1
24 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -118.0 -58.0 . . 16 ASP . . . . . . . . . . . . . parsed_5i2p 1
25 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.0 138.0 . . 16 ASP . . . . . . . . . . . . . parsed_5i2p 1
26 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.0 -68.0 . . 17 LYS . . . . . . . . . . . . . parsed_5i2p 1
27 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 71.0 139.0 . . 17 LYS . . . . . . . . . . . . . parsed_5i2p 1
28 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.0 -47.0 . . 18 CYSS . . . . . . . . . . . . . parsed_5i2p 1
29 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.0 157.0 . . 18 CYSS . . . . . . . . . . . . . parsed_5i2p 1
30 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.0 -32.0 . . 19 CYSS . . . . . . . . . . . . . parsed_5i2p 1
31 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.0 183.0 . . 19 CYSS . . . . . . . . . . . . . parsed_5i2p 1
32 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 48.0 76.0 . . 21 ASN . . . . . . . . . . . . . parsed_5i2p 1
33 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -12.0 68.0 . . 21 ASN . . . . . . . . . . . . . parsed_5i2p 1
34 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -173.0 -65.0 . . 22 TYR . . . . . . . . . . . . . parsed_5i2p 1
35 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.0 191.0 . . 22 TYR . . . . . . . . . . . . . parsed_5i2p 1
36 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -103.0 . . 23 LYS . . . . . . . . . . . . . parsed_5i2p 1
37 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.0 155.0 . . 23 LYS . . . . . . . . . . . . . parsed_5i2p 1
38 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -44.0 . . 24 CYSS . . . . . . . . . . . . . parsed_5i2p 1
39 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 74.0 158.0 . . 24 CYSS . . . . . . . . . . . . . parsed_5i2p 1
40 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.0 -32.0 . . 25 SER . . . . . . . . . . . . . parsed_5i2p 1
41 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 77.0 161.0 . . 25 SER . . . . . . . . . . . . . parsed_5i2p 1
42 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.0 -53.0 . . 26 SER . . . . . . . . . . . . . parsed_5i2p 1
43 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.0 -4.0 . . 26 SER . . . . . . . . . . . . . parsed_5i2p 1
44 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -112.0 -40.0 . . 27 LYS . . . . . . . . . . . . . parsed_5i2p 1
45 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.0 -9.0 . . 27 LYS . . . . . . . . . . . . . parsed_5i2p 1
46 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -116.0 -76.0 . . 28 ASP . . . . . . . . . . . . . parsed_5i2p 1
47 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -29.0 43.0 . . 28 ASP . . . . . . . . . . . . . parsed_5i2p 1
48 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 51.0 67.0 . . 29 LEU . . . . . . . . . . . . . parsed_5i2p 1
49 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19.0 59.0 . . 29 LEU . . . . . . . . . . . . . parsed_5i2p 1
50 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.0 -77.0 . . 30 TRP . . . . . . . . . . . . . parsed_5i2p 1
51 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.0 -40.0 . . 31 CYSS . . . . . . . . . . . . . parsed_5i2p 1
52 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 74.0 174.0 . . 31 CYSS . . . . . . . . . . . . . parsed_5i2p 1
53 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -167.0 -67.0 . . 32 LYS . . . . . . . . . . . . . parsed_5i2p 1
54 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.0 150.0 . . 32 LYS . . . . . . . . . . . . . parsed_5i2p 1
55 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -111.0 -71.0 . . 33 TYR . . . . . . . . . . . . . parsed_5i2p 1
56 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97.0 157.0 . . 33 TYR . . . . . . . . . . . . . parsed_5i2p 1
57 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.0 -53.0 . . 34 LYS . . . . . . . . . . . . . parsed_5i2p 1
58 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.0 165.0 . . 34 LYS . . . . . . . . . . . . . parsed_5i2p 1
59 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.0 -51.0 . . 35 ILE . . . . . . . . . . . . . parsed_5i2p 1
60 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.0 171.0 . . 35 ILE . . . . . . . . . . . . . parsed_5i2p 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 "Restraints file 5: w7a.aco" 1 1 1 28 parsed_5i2p 1
2 "13 PRO PHI -86.0 -42.0 1.00 #" 22 3 22 46 parsed_5i2p 1
3 "20 PRO PHI -79.0 -35.0 1.00 #" 34 3 34 46 parsed_5i2p 1
4 "20 PRO PSI -56.0 0.0 1.00 #" 35 3 35 46 parsed_5i2p 1
5 "30 TRP PSI -18.0 38.0 1.00 #" 55 3 55 46 parsed_5i2p 1
stop_
save_
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