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 |
|
|
610762 |
2ndl   |
26064 | cing | 2-parsed | STAR | dihedral angle | 1 |
data_2ndl_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2ndl
_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_2ndl 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2ndl
_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 2ndl "Master copy" parsed_2ndl
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2ndl
_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 2ndl.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2ndl 1
1 2ndl.mr . . DYANA/DIANA 2 distance NOE simple 136 parsed_2ndl 1
1 2ndl.mr . . DYANA/DIANA 3 distance "hydrogen bond" simple 11 parsed_2ndl 1
1 2ndl.mr . . DYANA/DIANA 4 "dihedral angle" "Not applicable" "Not applicable" 1 parsed_2ndl 1
1 2ndl.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2ndl 1
stop_
save_
save_DYANA/DIANA_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2ndl
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_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 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 6 MET . . . . . . . . . . . . . parsed_2ndl 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 "2 P -67.229 -25.300 6.308 5.027 4.555 0.884 25 12 Strong" 1 1 1 72 parsed_2ndl 1
2 "2 PRO PHI -87.2 -47.2" 2 4 2 34 parsed_2ndl 1
3 "2 PRO PSI -45.3 -5.3" 3 4 3 34 parsed_2ndl 1
4 "3 c -94.166 -11.080 13.499 16.475 4.672 0.893 25 13 Strong" 5 1 5 72 parsed_2ndl 1
5 "3 CYSS PHI -121.2 -67.2" 6 4 6 34 parsed_2ndl 1
6 "3 CYSS PSI -44.0 21.9" 7 4 7 34 parsed_2ndl 1
7 "5 P -59.520 -33.813 6.450 8.090 2.827 0.866 25 13 Strong" 9 1 9 72 parsed_2ndl 1
8 "5 PRO PHI -79.5 -39.5" 10 4 10 34 parsed_2ndl 1
9 "5 PRO PSI -53.8 -13.8" 11 4 11 34 parsed_2ndl 1
10 "6 M -90.183 -10.370 13.378 17.098 1.998 0.852 25 12 Strong" 13 1 13 72 parsed_2ndl 1
11 "6 MET PHI -116.9 -63.4" 14 4 14 34 parsed_2ndl 1
12 "6 MET PSI -44.6 23.8" 15 4 15 34 parsed_2ndl 1
13 "7 G -55.717 -55.468 8.023 8.198 0.000 0.858 10 12 Generous" 17 1 17 74 parsed_2ndl 1
14 "7 GLY PHI -85.7 -25.7" 18 4 18 34 parsed_2ndl 1
15 "7 GLY PSI -85.5 -25.5" 19 4 19 34 parsed_2ndl 1
16 "8 P -58.661 -35.190 5.948 8.951 0.947 0.869 25 12 Strong" 21 1 21 72 parsed_2ndl 1
17 "8 PRO PHI -78.7 -38.7" 22 4 22 34 parsed_2ndl 1
18 "8 PRO PSI -55.2 -15.2" 23 4 23 34 parsed_2ndl 1
19 "9 W -72.109 -31.373 12.433 10.818 1.066 0.884 25 12 Strong" 25 1 25 72 parsed_2ndl 1
20 "9 TRP PHI -97.0 -47.2" 26 4 26 34 parsed_2ndl 1
21 "9 TRP PSI -53.0 -9.7" 27 4 27 34 parsed_2ndl 1
22 "10 G 153.248 175.070 30.353 9.767 2.873 0.885 25 12 Strong" 29 1 29 72 parsed_2ndl 1
23 "10 GLY PHI 92.5 214.0" 30 3 30 34 parsed_2ndl 1
24 "10 GLY PSI 155.1 195.1" 31 3 31 34 parsed_2ndl 1
25 "12 F -124.658 150.542 13.129 9.170 1.902 0.861 25 13 Strong" 33 1 33 72 parsed_2ndl 1
26 "12 PHE PHI -150.9 -98.4" 34 3 34 34 parsed_2ndl 1
27 "12 PHE PSI 130.5 170.5" 35 3 35 34 parsed_2ndl 1
28 "13 c -126.016 140.152 21.741 11.573 2.547 0.852 25 15 Strong" 37 1 37 72 parsed_2ndl 1
29 "13 CYSS PHI -169.5 -82.5" 38 3 38 34 parsed_2ndl 1
30 "13 CYSS PSI 117.0 163.3" 39 3 39 34 parsed_2ndl 1
31 "14 I -104.356 137.654 25.518 19.737 2.910 0.839 25 13 Strong" 41 1 41 72 parsed_2ndl 1
32 "14 ILE PHI -155.4 -53.3" 42 3 42 34 parsed_2ndl 1
33 "14 ILE PSI 98.2 177.1" 43 3 43 34 parsed_2ndl 1
34 "15 P -55.650 -32.454 5.001 6.901 1.830 0.838 25 13 Strong" 45 1 45 72 parsed_2ndl 1
35 "15 PRO PHI -75.7 -35.6" 46 3 46 34 parsed_2ndl 1
36 "15 PRO PSI -52.5 -12.5" 47 3 47 34 parsed_2ndl 1
37 "16 D -65.054 -26.880 8.342 14.621 2.029 0.829 10 12 Generous" 49 1 49 74 parsed_2ndl 1
38 "16 ASP PHI -95.1 -35.1" 50 3 50 34 parsed_2ndl 1
39 "16 ASP PSI -70.7 17.0" 51 3 51 34 parsed_2ndl 1
40 "CHI1 from Talosn in agreement with original structure" 53 1 53 54 parsed_2ndl 1
41 "12 PHE CHI1 -90.0 -30.0" 55 3 55 35 parsed_2ndl 1
42 "14 ILE CHI1 -90.0 -30.0" 56 3 56 35 parsed_2ndl 1
43 "16 ASP CHI1 -90.0 -30.0" 57 3 57 35 parsed_2ndl 1
stop_
save_
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