NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
654077 | 7jgx | 30775 | cing | 2-parsed | STAR | entry | full | 63 |
data_7jgx_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_7jgx _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_7jgx 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_7jgx _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 7jgx "Master copy" parsed_7jgx stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_7jgx _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 7jgx.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_7jgx 1 1 7jgx.mr . . DYANA/DIANA 2 distance NOE simple 37 parsed_7jgx 1 1 7jgx.mr . . DYANA/DIANA 3 "dihedral angle" "Not applicable" "Not applicable" 20 parsed_7jgx 1 1 7jgx.mr . . DYANA/DIANA 4 distance "hydrogen bond" simple 6 parsed_7jgx 1 1 7jgx.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_7jgx 1 stop_ save_ save_MR_file_comment_1 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_7jgx _Org_constr_file_comment.ID 1 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 1 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; *HEADER ANTIMICROBIAL PROTEIN 20-JUL-20 7JGX *TITLE SOLUTION NMR STRUCTURE OF NEUROVAL, A DERIVED PEPTIDE FROM WASP *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: NEUROVAL DERIVED PEPTIDE ILE-PHE-TRP-LEU-PHE-ARG-GLY-LYS- *COMPND 3 ALA-ASP-VAL-ALA-LEU-NH2; *COMPND 4 CHAIN: A; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: PARACHARTERGUS FRATERNUS; *SOURCE 4 ORGANISM_TAXID: 91406 *KEYWDS ALPHA-HELICAL, ANTIMICROBIAL, NON-HAEMOLYTIC., ANTIMICROBIAL PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR J.A.I.MULLER,D.J.CRAIK,J.KOEHBACH *REVDAT 1 16-DEC-20 7JGX 0 ; save_ save_DYANA/DIANA_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_7jgx _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 2 _Distance_constraint_list.Details "Generated by Wattos" loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . parsed_7jgx 1 2 1 . . . parsed_7jgx 1 3 1 . . . parsed_7jgx 1 4 1 . . . parsed_7jgx 1 5 1 . . . parsed_7jgx 1 6 1 . . . parsed_7jgx 1 7 1 . . . parsed_7jgx 1 8 1 . . . parsed_7jgx 1 9 1 . . . parsed_7jgx 1 10 1 . . . parsed_7jgx 1 11 1 . . . parsed_7jgx 1 12 1 . . . parsed_7jgx 1 13 1 . . . parsed_7jgx 1 14 1 . . . parsed_7jgx 1 15 1 . . . parsed_7jgx 1 16 1 . . . parsed_7jgx 1 17 1 . . . parsed_7jgx 1 18 1 . . . parsed_7jgx 1 19 1 . . . parsed_7jgx 1 20 1 . . . parsed_7jgx 1 21 1 . . . parsed_7jgx 1 22 1 . . . parsed_7jgx 1 23 1 . . . parsed_7jgx 1 24 1 . . . parsed_7jgx 1 25 1 . . . parsed_7jgx 1 26 1 . . . parsed_7jgx 1 27 1 . . . parsed_7jgx 1 28 1 . . . parsed_7jgx 1 29 1 . . . parsed_7jgx 1 30 1 . . . parsed_7jgx 1 31 1 . . . parsed_7jgx 1 32 1 . . . parsed_7jgx 1 33 1 . . . parsed_7jgx 1 34 1 . . . parsed_7jgx 1 35 1 . . . parsed_7jgx 1 36 1 . . . parsed_7jgx 1 37 1 . . . parsed_7jgx 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Assembly_atom_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Seq_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Resonance_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 . . . . . . . . . 12 ALA HA parsed_7jgx 1 1 1 2 . . . . . . . . . 13 LEU H parsed_7jgx 1 2 1 1 . . . . . . . . . 11 VAL HB parsed_7jgx 1 2 1 2 . . . . . . . . . 12 ALA H parsed_7jgx 1 3 1 1 . . . . . . . . . 11 VAL H parsed_7jgx 1 3 1 2 . . . . . . . . . 11 VAL HB parsed_7jgx 1 4 1 1 . . . . . . . . . 13 LEU H parsed_7jgx 1 4 1 2 . . . . . . . . . 13 LEU HG parsed_7jgx 1 5 1 1 . . . . . . . . . 6 ARG H parsed_7jgx 1 5 1 2 . . . . . . . . . 6 ARG HG2 parsed_7jgx 1 6 1 1 . . . . . . . . . 6 ARG H parsed_7jgx 1 6 1 2 . . . . . . . . . 6 ARG HG3 parsed_7jgx 1 7 1 1 . . . . . . . . . 8 LYS H parsed_7jgx 1 7 1 2 . . . . . . . . . 8 LYS HG2 parsed_7jgx 1 8 1 1 . . . . . . . . . 8 LYS H parsed_7jgx 1 8 1 2 . . . . . . . . . 8 LYS HG3 parsed_7jgx 1 9 1 1 . . . . . . . . . 12 ALA H parsed_7jgx 1 9 1 2 . . . . . . . . . 12 ALA QB parsed_7jgx 1 10 1 1 . . . . . . . . . 12 ALA QB parsed_7jgx 1 10 1 2 . . . . . . . . . 13 LEU H parsed_7jgx 1 11 1 1 . . . . . . . . . 9 ALA H parsed_7jgx 1 11 1 2 . . . . . . . . . 9 ALA QB parsed_7jgx 1 12 1 1 . . . . . . . . . 9 ALA QB parsed_7jgx 1 12 1 2 . . . . . . . . . 10 ASP H parsed_7jgx 1 13 1 1 . . . . . . . . . 4 LEU H parsed_7jgx 1 13 1 2 . . . . . . . . . 4 LEU HG parsed_7jgx 1 14 1 1 . . . . . . . . . 11 VAL QG1 parsed_7jgx 1 14 1 2 . . . . . . . . . 12 ALA H parsed_7jgx 1 15 1 1 . . . . . . . . . 11 VAL QG2 parsed_7jgx 1 15 1 2 . . . . . . . . . 12 ALA H parsed_7jgx 1 16 1 1 . . . . . . . . . 11 VAL H parsed_7jgx 1 16 1 2 . . . . . . . . . 11 VAL QG1 parsed_7jgx 1 17 1 1 . . . . . . . . . 11 VAL H parsed_7jgx 1 17 1 2 . . . . . . . . . 11 VAL QG2 parsed_7jgx 1 18 1 1 . . . . . . . . . 13 LEU HA parsed_7jgx 1 18 1 2 . . . . . . . . . 13 LEU QD1 parsed_7jgx 1 19 1 1 . . . . . . . . . 13 LEU HA parsed_7jgx 1 19 1 2 . . . . . . . . . 13 LEU QD2 parsed_7jgx 1 20 1 1 . . . . . . . . . 11 VAL HA parsed_7jgx 1 20 1 2 . . . . . . . . . 11 VAL QG1 parsed_7jgx 1 21 1 1 . . . . . . . . . 11 VAL HA parsed_7jgx 1 21 1 2 . . . . . . . . . 11 VAL QG2 parsed_7jgx 1 22 1 1 . . . . . . . . . 4 LEU HA parsed_7jgx 1 22 1 2 . . . . . . . . . 4 LEU QD1 parsed_7jgx 1 23 1 1 . . . . . . . . . 4 LEU HA parsed_7jgx 1 23 1 2 . . . . . . . . . 4 LEU QD2 parsed_7jgx 1 24 1 1 . . . . . . . . . 6 ARG HA parsed_7jgx 1 24 1 2 . . . . . . . . . 6 ARG HD2 parsed_7jgx 1 25 1 1 . . . . . . . . . 6 ARG HA parsed_7jgx 1 25 1 2 . . . . . . . . . 6 ARG HD3 parsed_7jgx 1 26 1 1 . . . . . . . . . 4 LEU HA parsed_7jgx 1 26 1 2 . . . . . . . . . 4 LEU QQD parsed_7jgx 1 27 1 1 . . . . . . . . . 5 PHE H parsed_7jgx 1 27 1 2 . . . . . . . . . 5 PHE QB parsed_7jgx 1 28 1 1 . . . . . . . . . 6 ARG H parsed_7jgx 1 28 1 2 . . . . . . . . . 6 ARG QB parsed_7jgx 1 29 1 1 . . . . . . . . . 6 ARG H parsed_7jgx 1 29 1 2 . . . . . . . . . 6 ARG QG parsed_7jgx 1 30 1 1 . . . . . . . . . 6 ARG HA parsed_7jgx 1 30 1 2 . . . . . . . . . 6 ARG QD parsed_7jgx 1 31 1 1 . . . . . . . . . 8 LYS H parsed_7jgx 1 31 1 2 . . . . . . . . . 8 LYS QB parsed_7jgx 1 32 1 1 . . . . . . . . . 8 LYS H parsed_7jgx 1 32 1 2 . . . . . . . . . 8 LYS QG parsed_7jgx 1 33 1 1 . . . . . . . . . 10 ASP H parsed_7jgx 1 33 1 2 . . . . . . . . . 10 ASP QB parsed_7jgx 1 34 1 1 . . . . . . . . . 11 VAL H parsed_7jgx 1 34 1 2 . . . . . . . . . 11 VAL QQG parsed_7jgx 1 35 1 1 . . . . . . . . . 11 VAL QQG parsed_7jgx 1 35 1 2 . . . . . . . . . 12 ALA H parsed_7jgx 1 36 1 1 . . . . . . . . . 13 LEU H parsed_7jgx 1 36 1 2 . . . . . . . . . 13 LEU QB parsed_7jgx 1 37 1 1 . . . . . . . . . 13 LEU HA parsed_7jgx 1 37 1 2 . . . . . . . . . 13 LEU QQD parsed_7jgx 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . . . 3.45 parsed_7jgx 1 2 1 . . . . . . . 4.52 parsed_7jgx 1 3 1 . . . . . . . 3.82 parsed_7jgx 1 4 1 . . . . . . . 4.41 parsed_7jgx 1 5 1 . . . . . . . 5.35 parsed_7jgx 1 6 1 . . . . . . . 5.35 parsed_7jgx 1 7 1 . . . . . . . 5.34 parsed_7jgx 1 8 1 . . . . . . . 5.34 parsed_7jgx 1 9 1 . . . . . . . 3.66 parsed_7jgx 1 10 1 . . . . . . . 4.55 parsed_7jgx 1 11 1 . . . . . . . 3.55 parsed_7jgx 1 12 1 . . . . . . . 4.51 parsed_7jgx 1 13 1 . . . . . . . 4.32 parsed_7jgx 1 14 1 . . . . . . . 5.47 parsed_7jgx 1 15 1 . . . . . . . 5.47 parsed_7jgx 1 16 1 . . . . . . . 4.58 parsed_7jgx 1 17 1 . . . . . . . 4.58 parsed_7jgx 1 18 1 . . . . . . . 4.52 parsed_7jgx 1 19 1 . . . . . . . 4.52 parsed_7jgx 1 20 1 . . . . . . . 3.92 parsed_7jgx 1 21 1 . . . . . . . 3.92 parsed_7jgx 1 22 1 . . . . . . . 4.25 parsed_7jgx 1 23 1 . . . . . . . 4.25 parsed_7jgx 1 24 1 . . . . . . . 5.39 parsed_7jgx 1 25 1 . . . . . . . 5.39 parsed_7jgx 1 26 1 . . . . . . . 3.54 parsed_7jgx 1 27 1 . . . . . . . 3.61 parsed_7jgx 1 28 1 . . . . . . . 3.64 parsed_7jgx 1 29 1 . . . . . . . 4.60 parsed_7jgx 1 30 1 . . . . . . . 4.61 parsed_7jgx 1 31 1 . . . . . . . 3.59 parsed_7jgx 1 32 1 . . . . . . . 4.58 parsed_7jgx 1 33 1 . . . . . . . 3.62 parsed_7jgx 1 34 1 . . . . . . . 3.97 parsed_7jgx 1 35 1 . . . . . . . 4.64 parsed_7jgx 1 36 1 . . . . . . . 3.56 parsed_7jgx 1 37 1 . . . . . . . 3.87 parsed_7jgx 1 stop_ loop_ _Dist_constraint_comment_org.ID _Dist_constraint_comment_org.Comment_text _Dist_constraint_comment_org.Comment_begin_line _Dist_constraint_comment_org.Comment_begin_column _Dist_constraint_comment_org.Comment_end_line _Dist_constraint_comment_org.Comment_end_column _Dist_constraint_comment_org.Entry_ID _Dist_constraint_comment_org.Distance_constraint_list_ID 1 "Restraints file 1: neuroval_pdb_restrains.txt" 1 1 1 47 parsed_7jgx 1 2 "distance restraints" 2 1 2 20 parsed_7jgx 1 3 "peak 18 #plist 1 #SUP 0.99 #QF 0.57" 3 39 3 74 parsed_7jgx 1 4 "peak 43 #plist 1 #SUP 0.98 #QF 0.98" 4 39 4 74 parsed_7jgx 1 5 "peak 44 #plist 1 #SUP 0.94 #QF 0.94" 5 39 5 74 parsed_7jgx 1 6 "peak 50 #plist 1 #SUP 0.85 #QF 0.80" 6 39 6 74 parsed_7jgx 1 7 "peak 51 #plist 1 #SUP 0.99 #QF 0.92" 7 39 7 74 parsed_7jgx 1 8 "peak 51 #plist 1 #SUP 0.99 #QF 0.92" 8 39 8 74 parsed_7jgx 1 9 "peak 52 #plist 1 #SUP 1.00 #QF 0.95" 9 39 9 74 parsed_7jgx 1 10 "peak 52 #plist 1 #SUP 1.00 #QF 0.95" 10 39 10 74 parsed_7jgx 1 11 "peak 53 #plist 1 #SUP 0.99 #QF 0.99" 11 39 11 74 parsed_7jgx 1 12 "peak 54 #plist 1 #SUP 0.99 #QF 0.99" 12 39 12 74 parsed_7jgx 1 13 "peak 55 #plist 1 #SUP 0.98 #QF 0.98" 13 39 13 74 parsed_7jgx 1 14 "peak 56 #plist 1 #SUP 0.97 #QF 0.97" 14 39 14 74 parsed_7jgx 1 15 "peak 57 #plist 1 #SUP 0.79 #QF 0.79" 15 39 15 74 parsed_7jgx 1 16 "peak 59 #plist 1 #SUP 1.00 #QF 0.98" 16 39 16 74 parsed_7jgx 1 17 "peak 59 #plist 1 #SUP 1.00 #QF 0.98" 17 39 17 74 parsed_7jgx 1 18 "peak 60 #plist 1 #SUP 1.00 #QF 0.96" 18 39 18 74 parsed_7jgx 1 19 "peak 60 #plist 1 #SUP 1.00 #QF 0.96" 19 39 19 74 parsed_7jgx 1 20 "peak 69 #plist 1 #SUP 0.91 #QF 0.68" 20 39 20 74 parsed_7jgx 1 21 "peak 69 #plist 1 #SUP 0.91 #QF 0.68" 21 39 21 74 parsed_7jgx 1 22 "peak 75 #plist 1 #SUP 1.00" 22 39 22 65 parsed_7jgx 1 23 "peak 75 #plist 1 #SUP 1.00" 23 39 23 65 parsed_7jgx 1 24 "peak 78 #plist 1 #SUP 0.91 #QF 0.91" 24 39 24 74 parsed_7jgx 1 25 "peak 79 #plist 1 #SUP 0.84 #QF 0.84" 25 39 25 74 parsed_7jgx 1 26 "peak 87 #plist 1 #SUP 0.94 #QF 0.76" 26 39 26 74 parsed_7jgx 1 27 "peak 87 #plist 1 #SUP 0.94 #QF 0.76" 27 39 27 74 parsed_7jgx 1 28 "peak 79 #plist 1" 28 39 28 55 parsed_7jgx 1 29 "peak 40 #plist 1" 29 39 29 55 parsed_7jgx 1 30 "peak 49 #plist 1" 30 39 30 55 parsed_7jgx 1 31 "peak 51 #plist 1" 31 39 31 55 parsed_7jgx 1 32 "peak 87 #plist 1" 32 39 32 55 parsed_7jgx 1 33 "peak 48 #plist 1" 33 39 33 55 parsed_7jgx 1 34 "peak 52 #plist 1" 34 39 34 55 parsed_7jgx 1 35 "peak 42 #plist 1" 35 39 35 55 parsed_7jgx 1 36 "peak 60 #plist 1" 36 39 36 55 parsed_7jgx 1 37 "peak 59 #plist 1" 37 39 37 55 parsed_7jgx 1 38 "peak 50 #plist 1" 38 39 38 55 parsed_7jgx 1 39 "peak 69 #plist 1" 39 39 39 55 parsed_7jgx 1 stop_ save_ save_DYANA/DIANA_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_7jgx _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 3 _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.4 -43.4 . . 2 PHE . . . . . . . . . . . . . parsed_7jgx 1 2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.3 -18.3 . . 2 PHE . . . . . . . . . . . . . parsed_7jgx 1 3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.5 -44.5 . . 3 TRP . . . . . . . . . . . . . parsed_7jgx 1 4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.3 -23.3 . . 3 TRP . . . . . . . . . . . . . parsed_7jgx 1 5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.1 -46.1 . . 4 LEU . . . . . . . . . . . . . parsed_7jgx 1 6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.9 -22.9 . . 4 LEU . . . . . . . . . . . . . parsed_7jgx 1 7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.8 -45.8 . . 5 PHE . . . . . . . . . . . . . parsed_7jgx 1 8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.5 -20.5 . . 5 PHE . . . . . . . . . . . . . parsed_7jgx 1 9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.7 -44.7 . . 6 ARG . . . . . . . . . . . . . parsed_7jgx 1 10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.7 -22.7 . . 6 ARG . . . . . . . . . . . . . parsed_7jgx 1 11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.6 -45.6 . . 7 GLY . . . . . . . . . . . . . parsed_7jgx 1 12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.9 -19.9 . . 7 GLY . . . . . . . . . . . . . parsed_7jgx 1 13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.5 -45.5 . . 8 LYS . . . . . . . . . . . . . parsed_7jgx 1 14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.6 -19.6 . . 8 LYS . . . . . . . . . . . . . parsed_7jgx 1 15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.1 -46.1 . . 9 ALA . . . . . . . . . . . . . parsed_7jgx 1 16 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.5 -19.5 . . 9 ALA . . . . . . . . . . . . . parsed_7jgx 1 17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -45.0 . . 10 ASP . . . . . . . . . . . . . parsed_7jgx 1 18 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.4 -20.4 . . 10 ASP . . . . . . . . . . . . . parsed_7jgx 1 19 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.0 -44.0 . . 11 VAL . . . . . . . . . . . . . parsed_7jgx 1 20 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.5 -15.5 . . 11 VAL . . . . . . . . . . . . . parsed_7jgx 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 "dihedral angle restraints" 1 1 1 26 parsed_7jgx 1 2 "2 F -63.375 -38.333 5.018 4.268 1.066 0.851 25 11 Strong" 3 1 3 72 parsed_7jgx 1 3 "3 W -64.493 -43.330 4.703 5.660 0.836 0.854 25 13 Strong" 7 1 7 72 parsed_7jgx 1 4 "4 L -66.123 -42.857 4.335 4.374 0.715 0.856 25 15 Strong" 11 1 11 72 parsed_7jgx 1 5 "5 F -65.779 -40.472 5.555 5.283 0.598 0.848 25 15 Strong" 15 1 15 72 parsed_7jgx 1 6 "6 R -64.652 -42.667 3.776 5.187 0.529 0.841 25 14 Strong" 19 1 19 72 parsed_7jgx 1 7 "7 G -65.572 -39.927 3.721 3.664 0.483 0.835 25 14 Strong" 23 1 23 72 parsed_7jgx 1 8 "8 K -65.487 -39.557 3.647 5.589 0.485 0.848 25 14 Strong" 27 1 27 72 parsed_7jgx 1 9 "9 A -66.135 -39.467 4.481 4.737 0.542 0.864 25 15 Strong" 31 1 31 72 parsed_7jgx 1 10 "10 D -64.987 -40.392 4.243 6.453 0.585 0.879 25 15 Strong" 35 1 35 72 parsed_7jgx 1 11 "11 V -63.996 -35.497 6.394 3.671 0.830 0.869 25 15 Strong" 39 1 39 72 parsed_7jgx 1 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_7jgx _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type "hydrogen bond" _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 4 _Distance_constraint_list.Details "Generated by Wattos" loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . parsed_7jgx 2 2 1 . . . parsed_7jgx 2 3 1 . . . parsed_7jgx 2 4 1 . . . parsed_7jgx 2 5 1 . . . parsed_7jgx 2 6 1 . . . parsed_7jgx 2 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Assembly_atom_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Seq_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Resonance_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 . . . . . . . . . 5 PHE H parsed_7jgx 2 1 1 2 . . . . . . . . . 1 ILE O parsed_7jgx 2 2 1 1 . . . . . . . . . 5 PHE N parsed_7jgx 2 2 1 2 . . . . . . . . . 1 ILE O parsed_7jgx 2 3 1 1 . . . . . . . . . 6 ARG H parsed_7jgx 2 3 1 2 . . . . . . . . . 2 PHE O parsed_7jgx 2 4 1 1 . . . . . . . . . 6 ARG N parsed_7jgx 2 4 1 2 . . . . . . . . . 2 PHE O parsed_7jgx 2 5 1 1 . . . . . . . . . 10 ASP H parsed_7jgx 2 5 1 2 . . . . . . . . . 6 ARG O parsed_7jgx 2 6 1 1 . . . . . . . . . 10 ASP N parsed_7jgx 2 6 1 2 . . . . . . . . . 6 ARG O parsed_7jgx 2 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . . . 2 parsed_7jgx 2 2 1 . . . . . . . 3 parsed_7jgx 2 3 1 . . . . . . . 2 parsed_7jgx 2 4 1 . . . . . . . 3 parsed_7jgx 2 5 1 . . . . . . . 2 parsed_7jgx 2 6 1 . . . . . . . 3 parsed_7jgx 2 stop_ loop_ _Dist_constraint_comment_org.ID _Dist_constraint_comment_org.Comment_text _Dist_constraint_comment_org.Comment_begin_line _Dist_constraint_comment_org.Comment_begin_column _Dist_constraint_comment_org.Comment_end_line _Dist_constraint_comment_org.Comment_end_column _Dist_constraint_comment_org.Entry_ID _Dist_constraint_comment_org.Distance_constraint_list_ID 1 "hbond restraints" 1 1 1 17 parsed_7jgx 2 stop_ save_
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