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 |
|
|
606777 |
2ndm   |
26065 | cing | 2-parsed | STAR | dihedral angle | 23 |
data_2ndm_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2ndm
_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_2ndm 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2ndm
_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 2ndm "Master copy" parsed_2ndm
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2ndm
_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 2ndm.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2ndm 1
1 2ndm.mr . . DYANA/DIANA 2 "dihedral angle" "Not applicable" "Not applicable" 23 parsed_2ndm 1
1 2ndm.mr . . DYANA/DIANA 3 distance "hydrogen bond" simple 0 parsed_2ndm 1
1 2ndm.mr . . DYANA/DIANA 4 distance NOE simple 0 parsed_2ndm 1
1 2ndm.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2ndm 1
stop_
save_
save_DYANA/DIANA_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2ndm
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.8 -50.8 . . 2 ARG . . . . . . . . . . . . . parsed_2ndm 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.3 158.8 . . 2 ARG . . . . . . . . . . . . . parsed_2ndm 1
3 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.2 163.2 . . 3 PRO . . . . . . . . . . . . . parsed_2ndm 1
4 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.6 -57.5 . . 4 CYSS . . . . . . . . . . . . . parsed_2ndm 1
5 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94.3 162.8 . . 4 CYSS . . . . . . . . . . . . . parsed_2ndm 1
6 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.8 -38.1 . . 5 TYR . . . . . . . . . . . . . parsed_2ndm 1
7 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.7 176.0 . . 5 TYR . . . . . . . . . . . . . parsed_2ndm 1
8 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -176.3 -42.9 . . 6 THR . . . . . . . . . . . . . parsed_2ndm 1
9 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 138.5 196.6 . . 6 THR . . . . . . . . . . . . . parsed_2ndm 1
10 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.8 -44.8 . . 7 LEU . . . . . . . . . . . . . parsed_2ndm 1
11 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.2 -2.2 . . 7 LEU . . . . . . . . . . . . . parsed_2ndm 1
12 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -108.5 -68.5 . . 8 GLN . . . . . . . . . . . . . parsed_2ndm 1
13 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -23.8 16.2 . . 8 GLN . . . . . . . . . . . . . parsed_2ndm 1
14 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -111.9 -61.3 . . 10 CYSS . . . . . . . . . . . . . parsed_2ndm 1
15 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 91.8 151.8 . . 10 CYSS . . . . . . . . . . . . . parsed_2ndm 1
16 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.8 -51.8 . . 11 PHE . . . . . . . . . . . . . parsed_2ndm 1
17 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.5 154.5 . . 11 PHE . . . . . . . . . . . . . parsed_2ndm 1
18 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.6 165.7 . . 12 PRO . . . . . . . . . . . . . parsed_2ndm 1
19 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 2 ARG . . . . . . . . . . . . . parsed_2ndm 1
20 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 5 TYR . . . . . . . . . . . . . parsed_2ndm 1
21 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 6 THR . . . . . . . . . . . . . parsed_2ndm 1
22 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 8 GLN . . . . . . . . . . . . . parsed_2ndm 1
23 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 11 PHE . . . . . . . . . . . . . parsed_2ndm 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 R -70.801 138.034 5.849 10.372 0.447 0.606 25 12 Strong" 1 1 1 72 parsed_2ndm 1
2 "3 P -63.977 143.217 5.858 6.581 0.404 0.702 25 13 Strong" 5 1 5 72 parsed_2ndm 1
3 "3 PRO PHI -84.0 -44.0" 6 4 6 34 parsed_2ndm 1
4 "4 c -88.523 128.580 15.514 17.133 0.359 0.796 25 13 Strong" 9 1 9 72 parsed_2ndm 1
5 "5 Y -78.938 141.845 13.626 11.370 0.398 0.725 10 15 Generous" 13 1 13 74 parsed_2ndm 1
6 "6 T -109.621 167.550 33.361 14.522 0.370 0.684 25 15 Strong" 17 1 17 72 parsed_2ndm 1
7 "7 L -64.774 -22.168 6.760 6.086 0.336 0.632 25 15 Strong" 21 1 21 72 parsed_2ndm 1
8 "8 Q -88.454 -3.815 8.011 6.886 0.337 0.676 25 15 Strong" 25 1 25 72 parsed_2ndm 1
9 "10 c -86.593 121.780 12.654 15.004 0.446 0.799 25 15 Strong" 29 1 29 72 parsed_2ndm 1
10 "11 F -71.755 134.461 9.963 8.715 0.649 0.791 25 13 Strong" 33 1 33 72 parsed_2ndm 1
11 "12 P -65.137 144.626 7.455 10.516 0.817 0.759 25 13 Strong" 37 1 37 72 parsed_2ndm 1
12 "12 PRO PHI -85.1 -45.1" 38 3 38 34 parsed_2ndm 1
13 "CHI1 From Talos in agreement with original structure" 41 1 41 53 parsed_2ndm 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 "ARG H 13 ASP O 2.3" 46 37 46 59 parsed_2ndm 1
stop_
save_
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