NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
639845 | 6qkq | 34359 | cing | 2-parsed | STAR | dihedral angle | 30 |
data_6qkq_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_6qkq _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_6qkq 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_6qkq _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 6qkq "Master copy" parsed_6qkq stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_6qkq _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 6qkq.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6qkq 1 1 6qkq.mr . . XPLOR/CNS 2 distance NOE simple 483 parsed_6qkq 1 1 6qkq.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 30 parsed_6qkq 1 1 6qkq.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 30 parsed_6qkq 1 1 6qkq.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6qkq 1 stop_ save_ save_CNS/XPLOR_dihedral_4 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_6qkq _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.9 -45.9 . . 82 . C . 83 . N . 83 . CA . 83 . C parsed_6qkq 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.1 -12.1 . . 83 . N . 83 . CA . 83 . C . 84 . N parsed_6qkq 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.8 -47.8 . . 83 . C . 84 . N . 84 . CA . 84 . C parsed_6qkq 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.8 -11.8 . . 84 . N . 84 . CA . 84 . C . 85 . N parsed_6qkq 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.6 -42.4 . . 84 . C . 85 . N . 85 . CA . 85 . C parsed_6qkq 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.8 27.0 . . 85 . N . 85 . CA . 85 . C . 86 . N parsed_6qkq 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.9 -45.9 . . 86 . C . 87 . N . 87 . CA . 87 . C parsed_6qkq 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.3 -15.3 . . 87 . N . 87 . CA . 87 . C . 88 . N parsed_6qkq 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -50.0 . . 87 . C . 88 . N . 88 . CA . 88 . C parsed_6qkq 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.6 -14.6 . . 88 . N . 88 . CA . 88 . C . 89 . N parsed_6qkq 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.2 -54.2 . . 88 . C . 89 . N . 89 . CA . 89 . C parsed_6qkq 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.1 -5.1 . . 89 . N . 89 . CA . 89 . C . 90 . N parsed_6qkq 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.1 -40.1 . . 100 . C . 101 . N . 101 . CA . 101 . C parsed_6qkq 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.0 164.4 . . 101 . N . 101 . CA . 101 . C . 102 . N parsed_6qkq 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.8 -44.8 . . 101 . C . 102 . N . 102 . CA . 102 . C parsed_6qkq 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.1 -10.1 . . 102 . N . 102 . CA . 102 . C . 103 . N parsed_6qkq 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.3 -47.3 . . 104 . C . 105 . N . 105 . CA . 105 . C parsed_6qkq 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.0 -12.0 . . 105 . N . 105 . CA . 105 . C . 106 . N parsed_6qkq 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.3 -50.3 . . 105 . C . 106 . N . 106 . CA . 106 . C parsed_6qkq 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.2 0.4 . . 106 . N . 106 . CA . 106 . C . 107 . N parsed_6qkq 1 21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.7 -13.1 . . 106 . C . 107 . N . 107 . CA . 107 . C parsed_6qkq 1 22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.5 31.9 . . 107 . N . 107 . CA . 107 . C . 108 . N parsed_6qkq 1 23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.1 -43.1 . . 107 . C . 108 . N . 108 . CA . 108 . C parsed_6qkq 1 24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.3 -22.3 . . 108 . N . 108 . CA . 108 . C . 109 . N parsed_6qkq 1 25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.1 -48.1 . . 108 . C . 109 . N . 109 . CA . 109 . C parsed_6qkq 1 26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.3 -7.3 . . 109 . N . 109 . CA . 109 . C . 110 . N parsed_6qkq 1 27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.6 -58.6 . . 109 . C . 110 . N . 110 . CA . 110 . C parsed_6qkq 1 28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.4 3.6 . . 110 . N . 110 . CA . 110 . C . 111 . N parsed_6qkq 1 29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.6 -50.6 . . 110 . C . 111 . N . 111 . CA . 111 . C parsed_6qkq 1 30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.9 157.7 . . 111 . N . 111 . CA . 111 . C . 112 . N parsed_6qkq 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 "83 I -65.928 -32.142 4.764 6.625 0.804 0.708 25 9 Strong" 3 1 3 73 parsed_6qkq 1 2 "84 R -67.758 -31.781 4.599 6.172 0.857 0.735 25 9 Strong" 9 1 9 73 parsed_6qkq 1 3 "85 E -74.011 -25.897 10.546 17.621 0.782 0.735 10 9 Generous" 15 1 15 75 parsed_6qkq 1 4 "87 A -65.879 -35.254 4.685 6.232 0.751 0.689 25 9 Strong" 21 1 21 73 parsed_6qkq 1 5 "88 R -69.957 -34.640 8.035 7.477 0.686 0.635 25 9 Strong" 27 1 27 73 parsed_6qkq 1 6 "89 R -74.230 -25.082 9.936 9.155 0.599 0.605 25 9 Strong" 33 1 33 73 parsed_6qkq 1 7 "101 P -60.092 144.206 5.779 10.076 0.495 0.644 25 7 Strong" 39 1 39 73 parsed_6qkq 1 8 "102 A -64.850 -30.111 7.931 7.651 0.596 0.707 25 7 Strong" 45 1 45 73 parsed_6qkq 1 9 "105 I -67.269 -31.969 5.303 7.367 1.253 0.798 25 9 Strong" 51 1 51 73 parsed_6qkq 1 10 "106 D -70.311 -25.443 8.183 12.877 1.256 0.795 25 9 Strong" 57 1 57 73 parsed_6qkq 1 11 "107 A -76.441 -29.312 21.089 20.412 1.152 0.794 10 9 Generous" 63 1 63 75 parsed_6qkq 1 12 "108 Y -63.118 -42.305 5.474 6.726 1.134 0.806 25 9 Strong" 69 1 69 73 parsed_6qkq 1 13 "109 H -68.119 -27.326 4.656 6.651 1.007 0.776 25 9 Strong" 75 1 75 73 parsed_6qkq 1 14 "110 A -78.630 -16.390 8.025 8.101 0.867 0.741 25 9 Strong" 81 1 81 73 parsed_6qkq 1 15 "111 A -70.572 133.809 8.435 11.950 0.834 0.692 25 9 Strong" 87 1 87 73 parsed_6qkq 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 "# Restraints file 3: dihedrals.tbl" 1 1 1 34 parsed_6qkq 1 stop_ save_
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