NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
635321 | 6e1l | 30232 | cing | 2-parsed | STAR | entry | full | 49 |
data_6e1l_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_6e1l _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_6e1l 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_6e1l _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 6e1l "Master copy" parsed_6e1l stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_6e1l _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 6e1l.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6e1l 1 1 6e1l.mr . . DYANA/DIANA 2 distance "hydrogen bond" simple 14 parsed_6e1l 1 1 6e1l.mr . . DYANA/DIANA 3 "dihedral angle" "Not applicable" "Not applicable" 35 parsed_6e1l 1 1 6e1l.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6e1l 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_6e1l _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 CYTOKINE 10-JUL-18 6E1L *TITLE GRN3ALA *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: GRANULIN; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: OPISTHORCHIS VIVERRINI; *SOURCE 4 ORGANISM_TAXID: 6198 *KEYWDS WOUND HEALING AGENT, GRANULIN, STRUCTURE FROM CYANA 3.97, CYTOKINE *EXPDTA SOLUTION NMR *NUMMDL 15 *AUTHOR M.DASTPEYMAN,P.BANSAL,D.WILSON,J.SOTILLO,P.BRINDLEY,A.LOUKAS,M.SMOUT, *AUTHOR 2 N.DALY *REVDAT 1 06-FEB-19 6E1L 0 ; save_ save_DYANA/DIANA_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_6e1l _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type "hydrogen bond" _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_6e1l 1 2 1 . . . parsed_6e1l 1 3 1 . . . parsed_6e1l 1 4 1 . . . parsed_6e1l 1 5 1 . . . parsed_6e1l 1 6 1 . . . parsed_6e1l 1 7 1 . . . parsed_6e1l 1 8 1 . . . parsed_6e1l 1 9 1 . . . parsed_6e1l 1 10 1 . . . parsed_6e1l 1 11 1 . . . parsed_6e1l 1 12 1 . . . parsed_6e1l 1 13 1 . . . parsed_6e1l 1 14 1 . . . parsed_6e1l 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 . . . . . . . . . 3 ASP O parsed_6e1l 1 1 1 2 . . . . . . . . . 6 TYR H parsed_6e1l 1 2 1 1 . . . . . . . . . 3 ASP O parsed_6e1l 1 2 1 2 . . . . . . . . . 6 TYR N parsed_6e1l 1 3 1 1 . . . . . . . . . 8 CYSS O parsed_6e1l 1 3 1 2 . . . . . . . . . 12 GLN H parsed_6e1l 1 4 1 1 . . . . . . . . . 8 CYSS O parsed_6e1l 1 4 1 2 . . . . . . . . . 12 GLN N parsed_6e1l 1 5 1 1 . . . . . . . . . 22 GLY O parsed_6e1l 1 5 1 2 . . . . . . . . . 15 CYSS H parsed_6e1l 1 6 1 1 . . . . . . . . . 22 GLY O parsed_6e1l 1 6 1 2 . . . . . . . . . 15 CYSS N parsed_6e1l 1 7 1 1 . . . . . . . . . 13 THR O parsed_6e1l 1 7 1 2 . . . . . . . . . 24 CYSS H parsed_6e1l 1 8 1 1 . . . . . . . . . 13 THR O parsed_6e1l 1 8 1 2 . . . . . . . . . 24 CYSS N parsed_6e1l 1 9 1 1 . . . . . . . . . 4 ALA O parsed_6e1l 1 9 1 2 . . . . . . . . . 8 CYSS H parsed_6e1l 1 10 1 1 . . . . . . . . . 4 ALA O parsed_6e1l 1 10 1 2 . . . . . . . . . 8 CYSS N parsed_6e1l 1 11 1 1 . . . . . . . . . 5 VAL O parsed_6e1l 1 11 1 2 . . . . . . . . . 9 ARG H parsed_6e1l 1 12 1 1 . . . . . . . . . 5 VAL O parsed_6e1l 1 12 1 2 . . . . . . . . . 9 ARG N parsed_6e1l 1 13 1 1 . . . . . . . . . 15 CYSS O parsed_6e1l 1 13 1 2 . . . . . . . . . 22 GLY H parsed_6e1l 1 14 1 1 . . . . . . . . . 15 CYSS O parsed_6e1l 1 14 1 2 . . . . . . . . . 22 GLY N parsed_6e1l 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 . . . . . . . 2.2 parsed_6e1l 1 2 1 . . . . . . . 3.2 parsed_6e1l 1 3 1 . . . . . . . 2.2 parsed_6e1l 1 4 1 . . . . . . . 3.2 parsed_6e1l 1 5 1 . . . . . . . 2.2 parsed_6e1l 1 6 1 . . . . . . . 3.2 parsed_6e1l 1 7 1 . . . . . . . 2.2 parsed_6e1l 1 8 1 . . . . . . . 3.2 parsed_6e1l 1 9 1 . . . . . . . 2.2 parsed_6e1l 1 10 1 . . . . . . . 3.2 parsed_6e1l 1 11 1 . . . . . . . 2.2 parsed_6e1l 1 12 1 . . . . . . . 3.2 parsed_6e1l 1 13 1 . . . . . . . 2.2 parsed_6e1l 1 14 1 . . . . . . . 3.2 parsed_6e1l 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: hbond.upl" 1 1 1 30 parsed_6e1l 1 stop_ save_ save_DYANA/DIANA_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_6e1l _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.9 -39.9 . . 2 ALA . . . . . . . . . . . . . parsed_6e1l 1 2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.8 -12.8 . . 2 ALA . . . . . . . . . . . . . parsed_6e1l 1 3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.1 -44.1 . . 3 ASP . . . . . . . . . . . . . parsed_6e1l 1 4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.3 -17.3 . . 3 ASP . . . . . . . . . . . . . parsed_6e1l 1 5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.6 -47.6 . . 4 ALA . . . . . . . . . . . . . parsed_6e1l 1 6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -20.0 . . 4 ALA . . . . . . . . . . . . . parsed_6e1l 1 7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.5 -45.5 . . 5 VAL . . . . . . . . . . . . . parsed_6e1l 1 8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.4 -20.4 . . 5 VAL . . . . . . . . . . . . . parsed_6e1l 1 9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.5 -45.5 . . 6 TYR . . . . . . . . . . . . . parsed_6e1l 1 10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.7 -22.7 . . 6 TYR . . . . . . . . . . . . . parsed_6e1l 1 11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.0 -46.0 . . 7 THR . . . . . . . . . . . . . parsed_6e1l 1 12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.4 -17.4 . . 7 THR . . . . . . . . . . . . . parsed_6e1l 1 13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.3 -46.3 . . 8 CYSS . . . . . . . . . . . . . parsed_6e1l 1 14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.0 -17.0 . . 8 CYSS . . . . . . . . . . . . . parsed_6e1l 1 15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.4 -51.4 . . 9 ARG . . . . . . . . . . . . . parsed_6e1l 1 16 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.1 -19.1 . . 9 ARG . . . . . . . . . . . . . parsed_6e1l 1 17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.6 -55.6 . . 10 ALA . . . . . . . . . . . . . parsed_6e1l 1 18 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.9 -12.9 . . 10 ALA . . . . . . . . . . . . . parsed_6e1l 1 19 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.7 -114.4 . . 12 GLN . . . . . . . . . . . . . parsed_6e1l 1 20 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 134.9 174.9 . . 12 GLN . . . . . . . . . . . . . parsed_6e1l 1 21 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168.1 -115.7 . . 13 THR . . . . . . . . . . . . . parsed_6e1l 1 22 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.9 166.2 . . 13 THR . . . . . . . . . . . . . parsed_6e1l 1 23 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.9 -54.6 . . 14 CYSS . . . . . . . . . . . . . parsed_6e1l 1 24 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.6 163.8 . . 14 CYSS . . . . . . . . . . . . . parsed_6e1l 1 25 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -192.7 -68.4 . . 15 CYSS . . . . . . . . . . . . . parsed_6e1l 1 26 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.4 176.3 . . 15 CYSS . . . . . . . . . . . . . parsed_6e1l 1 27 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.6 -41.6 . . 17 GLY . . . . . . . . . . . . . parsed_6e1l 1 28 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.2 -47.2 . . 18 LEU . . . . . . . . . . . . . parsed_6e1l 1 29 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.4 -22.4 . . 18 LEU . . . . . . . . . . . . . parsed_6e1l 1 30 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.4 -44.4 . . 19 HIS . . . . . . . . . . . . . parsed_6e1l 1 31 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.5 -17.5 . . 19 HIS . . . . . . . . . . . . . parsed_6e1l 1 32 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.8 -10.8 . . 20 GLY . . . . . . . . . . . . . parsed_6e1l 1 33 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.3 -81.1 . . 21 TYR . . . . . . . . . . . . . parsed_6e1l 1 34 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -111.3 -48.5 . . 23 CYSS . . . . . . . . . . . . . parsed_6e1l 1 35 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.2 167.1 . . 23 CYSS . . . . . . . . . . . . . parsed_6e1l 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 "Restraints file 2: GRN3ALA.aco" 1 1 1 32 parsed_6e1l 1 2 "Phi/Psi Angles From 'Strong' TALOS-N Predictions:" 3 1 3 52 parsed_6e1l 1 3 "error margins are set to conservative default values of double the" 4 1 4 72 parsed_6e1l 1 4 "standard deviation observed in TALOS-N capped at a minimum of +/-20 degree." 5 1 5 80 parsed_6e1l 1 5 "Phi/Psi Angles From 'Generous' TALOS-N Predictions:" 42 1 42 54 parsed_6e1l 1 6 "error margins are set to default values of triple the standard" 43 1 43 67 parsed_6e1l 1 7 "deviation observed in TALOS-N capped at a minimum of +/-30 degree." 44 1 44 71 parsed_6e1l 1 stop_ save_
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