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 |
|
|
606787 |
2ndn   |
26066 | cing | 2-parsed | STAR | dihedral angle | 33 |
data_2ndn_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2ndn
_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_2ndn 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2ndn
_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 2ndn "Master copy" parsed_2ndn
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2ndn
_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 2ndn.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2ndn 1
1 2ndn.mr . . DYANA/DIANA 2 "dihedral angle" "Not applicable" "Not applicable" 33 parsed_2ndn 1
1 2ndn.mr . . DYANA/DIANA 3 distance NOE simple 0 parsed_2ndn 1
1 2ndn.mr . . DYANA/DIANA 4 distance "hydrogen bond" simple 0 parsed_2ndn 1
1 2ndn.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2ndn 1
stop_
save_
save_DYANA/DIANA_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2ndn
_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 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 71.7 111.7 . . 1 GLY . . . . . . . . . . . . . parsed_2ndn 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -18.8 26.9 . . 1 GLY . . . . . . . . . . . . . parsed_2ndn 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.5 -57.3 . . 2 ILE . . . . . . . . . . . . . parsed_2ndn 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.2 150.2 . . 2 ILE . . . . . . . . . . . . . parsed_2ndn 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.8 -96.9 . . 3 CYSS . . . . . . . . . . . . . parsed_2ndn 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.1 161.1 . . 3 CYSS . . . . . . . . . . . . . parsed_2ndn 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.5 -93.8 . . 4 PHE . . . . . . . . . . . . . parsed_2ndn 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.9 167.6 . . 4 PHE . . . . . . . . . . . . . parsed_2ndn 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.8 -74.2 . . 5 LYS . . . . . . . . . . . . . parsed_2ndn 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.0 153.0 . . 5 LYS . . . . . . . . . . . . . parsed_2ndn 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.9 -48.9 . . 6 ASP . . . . . . . . . . . . . parsed_2ndn 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.3 179.4 . . 6 ASP . . . . . . . . . . . . . parsed_2ndn 1
13 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.8 -0.8 . . 7 PRO . . . . . . . . . . . . . parsed_2ndn 1
14 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.3 -75.3 . . 8 PHE . . . . . . . . . . . . . parsed_2ndn 1
15 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -22.0 27.2 . . 8 PHE . . . . . . . . . . . . . parsed_2ndn 1
16 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 57.7 117.7 . . 9 GLY . . . . . . . . . . . . . parsed_2ndn 1
17 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.1 103.9 . . 9 GLY . . . . . . . . . . . . . parsed_2ndn 1
18 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.8 -57.1 . . 10 SER . . . . . . . . . . . . . parsed_2ndn 1
19 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.3 163.3 . . 10 SER . . . . . . . . . . . . . parsed_2ndn 1
20 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.1 -54.8 . . 11 THR . . . . . . . . . . . . . parsed_2ndn 1
21 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.1 147.1 . . 11 THR . . . . . . . . . . . . . parsed_2ndn 1
22 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.2 -72.2 . . 12 LEU . . . . . . . . . . . . . parsed_2ndn 1
23 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.9 148.9 . . 12 LEU . . . . . . . . . . . . . parsed_2ndn 1
24 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.3 -112.0 . . 13 CYSS . . . . . . . . . . . . . parsed_2ndn 1
25 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 138.2 178.2 . . 13 CYSS . . . . . . . . . . . . . parsed_2ndn 1
26 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.9 -44.3 . . 14 ALA . . . . . . . . . . . . . parsed_2ndn 1
27 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.9 193.2 . . 14 ALA . . . . . . . . . . . . . parsed_2ndn 1
28 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.6 -9.6 . . 15 PRO . . . . . . . . . . . . . parsed_2ndn 1
29 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -103.8 -63.8 . . 16 ASP . . . . . . . . . . . . . parsed_2ndn 1
30 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -23.4 16.6 . . 16 ASP . . . . . . . . . . . . . parsed_2ndn 1
31 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 3 CYSS . . . . . . . . . . . . . parsed_2ndn 1
32 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 8 PHE . . . . . . . . . . . . . parsed_2ndn 1
33 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 13 CYSS . . . . . . . . . . . . . parsed_2ndn 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 "1 G 91.676 4.090 8.444 11.423 0.395 0.719 25 14 Strong" 1 1 1 72 parsed_2ndn 1
2 "2 I -78.374 130.170 10.546 5.202 0.395 0.797 25 14 Strong" 5 1 5 72 parsed_2ndn 1
3 "3 c -120.354 141.074 11.714 9.037 0.482 0.882 25 15 Strong" 9 1 9 72 parsed_2ndn 1
4 "4 F -127.168 142.727 16.676 12.434 0.491 0.894 25 15 Strong" 13 1 13 72 parsed_2ndn 1
5 "5 K -105.036 124.526 15.400 14.255 0.397 0.890 25 15 Strong" 17 1 17 72 parsed_2ndn 1
6 "6 D -68.949 146.370 7.840 16.539 0.395 0.867 25 13 Strong" 21 1 21 71 parsed_2ndn 1
7 "7 P -61.772 -20.849 8.673 7.778 0.393 0.785 25 13 Strong" 25 1 25 72 parsed_2ndn 1
8 "7 PRO PHI -81.8 -41.8" 26 1 26 34 parsed_2ndn 1
9 "8 F -95.316 2.628 8.999 12.306 0.333 0.736 25 12 Strong" 29 1 29 72 parsed_2ndn 1
10 "9 G 87.716 -1.103 7.343 35.712 0.440 0.703 10 13 Generous" 33 1 33 73 parsed_2ndn 1
11 "10 S -77.965 143.257 10.441 8.611 0.498 0.755 25 13 Strong" 37 1 37 72 parsed_2ndn 1
12 "11 T -79.458 127.085 12.332 9.416 0.500 0.810 25 14 Strong" 41 1 41 72 parsed_2ndn 1
13 "12 L -104.698 128.895 16.252 9.085 0.465 0.870 25 15 Strong" 45 1 45 72 parsed_2ndn 1
14 "13 c -133.650 158.218 10.816 8.617 0.402 0.884 25 15 Strong" 49 1 49 72 parsed_2ndn 1
15 "14 A -75.097 151.528 15.413 20.815 0.419 0.865 25 13 Strong" 53 1 53 72 parsed_2ndn 1
16 "15 P -55.058 -29.551 4.320 5.384 0.358 0.816 25 13 Strong" 57 1 57 72 parsed_2ndn 1
17 "15 PRO PHI -75.1 -35.1" 58 1 58 34 parsed_2ndn 1
18 "16 D -83.775 -3.435 6.767 8.104 0.495 0.773 25 12 Strong" 61 1 61 72 parsed_2ndn 1
19 "Chi Angles" 65 1 65 12 parsed_2ndn 1
stop_
save_
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