NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
34458 | 1jy9 | cing | 2-parsed | STAR | entry | full | 45 |
data_1jy9_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1jy9 _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_1jy9 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1jy9 _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 1jy9 "Master copy" parsed_1jy9 stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1jy9 _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 1jy9.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1jy9 1 1 1jy9.mr . . DYANA/DIANA 2 distance NOE simple 45 parsed_1jy9 1 1 1jy9.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1jy9 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_1jy9 _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 DE NOVO PROTEIN 11-SEP-01 1JY9 *TITLE MINIMIZED AVERAGE STRUCTURE OF DP-TT2 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: DP-TT2; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 OTHER_DETAILS: THE PEPTIDE WAS SYNTHESIZED BY SOLID PHASE *SOURCE 4 PEPTIDE SYNTHESIS. *KEYWDS BETA-HAIRPIN *EXPDTA NMR, MINIMIZED AVERAGE STRUCTURE *AUTHOR H.E.STANGER, F.A.SYUD, J.F.ESPINOSA, I.GIRIAT, T.MUIR, *AUTHOR 2 S.H.GELLMAN *REVDAT 1 19-SEP-01 1JY9 0 ; save_ save_DYANA/DIANA_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_1jy9 _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_1jy9 1 2 1 . . . parsed_1jy9 1 3 1 . . . parsed_1jy9 1 4 1 . . . parsed_1jy9 1 5 1 . . . parsed_1jy9 1 6 1 . . . parsed_1jy9 1 7 1 . . . parsed_1jy9 1 8 1 . . . parsed_1jy9 1 9 1 . . . parsed_1jy9 1 10 1 . . . parsed_1jy9 1 11 1 . . . parsed_1jy9 1 12 1 . . . parsed_1jy9 1 13 1 . . . parsed_1jy9 1 14 1 . . . parsed_1jy9 1 15 1 . . . parsed_1jy9 1 16 1 . . . parsed_1jy9 1 17 1 . . . parsed_1jy9 1 18 1 . . . parsed_1jy9 1 19 1 . . . parsed_1jy9 1 20 1 . . . parsed_1jy9 1 21 1 . . . parsed_1jy9 1 22 1 . . . parsed_1jy9 1 23 1 . . . parsed_1jy9 1 24 1 . . . parsed_1jy9 1 25 1 . . . parsed_1jy9 1 26 1 . . . parsed_1jy9 1 27 1 . . . parsed_1jy9 1 28 1 . . . parsed_1jy9 1 29 1 . . . parsed_1jy9 1 30 1 . . . parsed_1jy9 1 31 1 . . . parsed_1jy9 1 32 1 . . . parsed_1jy9 1 33 1 . . . parsed_1jy9 1 34 1 . . . parsed_1jy9 1 35 1 . . . parsed_1jy9 1 36 1 . . . parsed_1jy9 1 37 1 . . . parsed_1jy9 1 38 1 . . . parsed_1jy9 1 39 1 . . . parsed_1jy9 1 40 1 . . . parsed_1jy9 1 41 1 . . . parsed_1jy9 1 42 1 . . . parsed_1jy9 1 43 1 . . . parsed_1jy9 1 44 1 . . . parsed_1jy9 1 45 1 . . . parsed_1jy9 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 . . . . . . . . . 2 THR HA parsed_1jy9 1 1 1 2 . . . . . . . . . 19 THR HA parsed_1jy9 1 2 1 1 . . . . . . . . . 4 THR QG2 parsed_1jy9 1 2 1 2 . . . . . . . . . 6 TYR QD parsed_1jy9 1 3 1 1 . . . . . . . . . 4 THR QG2 parsed_1jy9 1 3 1 2 . . . . . . . . . 15 LEU QD1 parsed_1jy9 1 4 1 1 . . . . . . . . . 4 THR QG2 parsed_1jy9 1 4 1 2 . . . . . . . . . 15 LEU QD2 parsed_1jy9 1 5 1 1 . . . . . . . . . 4 THR HB parsed_1jy9 1 5 1 2 . . . . . . . . . 15 LEU QD1 parsed_1jy9 1 6 1 1 . . . . . . . . . 4 THR HB parsed_1jy9 1 6 1 2 . . . . . . . . . 15 LEU QD2 parsed_1jy9 1 7 1 1 . . . . . . . . . 5 ARG HN parsed_1jy9 1 7 1 2 . . . . . . . . . 16 GLN HN parsed_1jy9 1 8 1 1 . . . . . . . . . 5 ARG O parsed_1jy9 1 8 1 2 . . . . . . . . . 16 GLN N parsed_1jy9 1 9 1 1 . . . . . . . . . 5 ARG O parsed_1jy9 1 9 1 2 . . . . . . . . . 16 GLN HN parsed_1jy9 1 10 1 1 . . . . . . . . . 5 ARG N parsed_1jy9 1 10 1 2 . . . . . . . . . 16 GLN O parsed_1jy9 1 11 1 1 . . . . . . . . . 5 ARG HN parsed_1jy9 1 11 1 2 . . . . . . . . . 16 GLN O parsed_1jy9 1 12 1 1 . . . . . . . . . 6 TYR HA parsed_1jy9 1 12 1 2 . . . . . . . . . 15 LEU HA parsed_1jy9 1 13 1 1 . . . . . . . . . 6 TYR HB3 parsed_1jy9 1 13 1 2 . . . . . . . . . 13 LYS QD parsed_1jy9 1 14 1 1 . . . . . . . . . 6 TYR HB2 parsed_1jy9 1 14 1 2 . . . . . . . . . 13 LYS QD parsed_1jy9 1 15 1 1 . . . . . . . . . 6 TYR QD parsed_1jy9 1 15 1 2 . . . . . . . . . 13 LYS QB parsed_1jy9 1 16 1 1 . . . . . . . . . 6 TYR QD parsed_1jy9 1 16 1 2 . . . . . . . . . 13 LYS QD parsed_1jy9 1 17 1 1 . . . . . . . . . 6 TYR QD parsed_1jy9 1 17 1 2 . . . . . . . . . 13 LYS QG parsed_1jy9 1 18 1 1 . . . . . . . . . 6 TYR QD parsed_1jy9 1 18 1 2 . . . . . . . . . 15 LEU HA parsed_1jy9 1 19 1 1 . . . . . . . . . 6 TYR QD parsed_1jy9 1 19 1 2 . . . . . . . . . 15 LEU HB2 parsed_1jy9 1 20 1 1 . . . . . . . . . 6 TYR QD parsed_1jy9 1 20 1 2 . . . . . . . . . 15 LEU QD1 parsed_1jy9 1 21 1 1 . . . . . . . . . 6 TYR QD parsed_1jy9 1 21 1 2 . . . . . . . . . 15 LEU HG parsed_1jy9 1 22 1 1 . . . . . . . . . 6 TYR QD parsed_1jy9 1 22 1 2 . . . . . . . . . 14 ILE QG1 parsed_1jy9 1 23 1 1 . . . . . . . . . 6 TYR QE parsed_1jy9 1 23 1 2 . . . . . . . . . 15 LEU QD1 parsed_1jy9 1 24 1 1 . . . . . . . . . 6 TYR QE parsed_1jy9 1 24 1 2 . . . . . . . . . 15 LEU QD2 parsed_1jy9 1 25 1 1 . . . . . . . . . 6 TYR QE parsed_1jy9 1 25 1 2 . . . . . . . . . 15 LEU HB2 parsed_1jy9 1 26 1 1 . . . . . . . . . 6 TYR QE parsed_1jy9 1 26 1 2 . . . . . . . . . 15 LEU HA parsed_1jy9 1 27 1 1 . . . . . . . . . 6 TYR QE parsed_1jy9 1 27 1 2 . . . . . . . . . 15 LEU HB3 parsed_1jy9 1 28 1 1 . . . . . . . . . 6 TYR QE parsed_1jy9 1 28 1 2 . . . . . . . . . 13 LYS QG parsed_1jy9 1 29 1 1 . . . . . . . . . 6 TYR QE parsed_1jy9 1 29 1 2 . . . . . . . . . 13 LYS QB parsed_1jy9 1 30 1 1 . . . . . . . . . 7 VAL HN parsed_1jy9 1 30 1 2 . . . . . . . . . 14 ILE HN parsed_1jy9 1 31 1 1 . . . . . . . . . 7 VAL N parsed_1jy9 1 31 1 2 . . . . . . . . . 14 ILE O parsed_1jy9 1 32 1 1 . . . . . . . . . 7 VAL HN parsed_1jy9 1 32 1 2 . . . . . . . . . 14 ILE O parsed_1jy9 1 33 1 1 . . . . . . . . . 7 VAL O parsed_1jy9 1 33 1 2 . . . . . . . . . 14 ILE N parsed_1jy9 1 34 1 1 . . . . . . . . . 7 VAL O parsed_1jy9 1 34 1 2 . . . . . . . . . 14 ILE HN parsed_1jy9 1 35 1 1 . . . . . . . . . 8 GLU HA parsed_1jy9 1 35 1 2 . . . . . . . . . 13 LYS HA parsed_1jy9 1 36 1 1 . . . . . . . . . 9 VAL HN parsed_1jy9 1 36 1 2 . . . . . . . . . 13 LYS HN parsed_1jy9 1 37 1 1 . . . . . . . . . 9 VAL QQG parsed_1jy9 1 37 1 2 . . . . . . . . . 10 DPRO HA parsed_1jy9 1 38 1 1 . . . . . . . . . 9 VAL QQG parsed_1jy9 1 38 1 2 . . . . . . . . . 10 DPRO HB2 parsed_1jy9 1 39 1 1 . . . . . . . . . 9 VAL HA parsed_1jy9 1 39 1 2 . . . . . . . . . 10 DPRO QD parsed_1jy9 1 40 1 1 . . . . . . . . . 9 VAL QQG parsed_1jy9 1 40 1 2 . . . . . . . . . 10 DPRO QD parsed_1jy9 1 41 1 1 . . . . . . . . . 9 VAL N parsed_1jy9 1 41 1 2 . . . . . . . . . 12 LYS O parsed_1jy9 1 42 1 1 . . . . . . . . . 9 VAL HN parsed_1jy9 1 42 1 2 . . . . . . . . . 12 LYS O parsed_1jy9 1 43 1 1 . . . . . . . . . 9 VAL O parsed_1jy9 1 43 1 2 . . . . . . . . . 12 LYS N parsed_1jy9 1 44 1 1 . . . . . . . . . 9 VAL O parsed_1jy9 1 44 1 2 . . . . . . . . . 12 LYS HN parsed_1jy9 1 45 1 1 . . . . . . . . . 11 GLY HN parsed_1jy9 1 45 1 2 . . . . . . . . . 12 LYS HN parsed_1jy9 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 . . . . . . . 4.00 parsed_1jy9 1 2 1 . . . . . . . 4.00 parsed_1jy9 1 3 1 . . . . . . . 4.00 parsed_1jy9 1 4 1 . . . . . . . 4.00 parsed_1jy9 1 5 1 . . . . . . . 5.00 parsed_1jy9 1 6 1 . . . . . . . 5.00 parsed_1jy9 1 7 1 . . . . . . . 3.00 parsed_1jy9 1 8 1 . . . . . . . 3.00 parsed_1jy9 1 9 1 . . . . . . . 2.00 parsed_1jy9 1 10 1 . . . . . . . 3.00 parsed_1jy9 1 11 1 . . . . . . . 2.00 parsed_1jy9 1 12 1 . . . . . . . 3.00 parsed_1jy9 1 13 1 . . . . . . . 4.00 parsed_1jy9 1 14 1 . . . . . . . 4.00 parsed_1jy9 1 15 1 . . . . . . . 4.00 parsed_1jy9 1 16 1 . . . . . . . 3.00 parsed_1jy9 1 17 1 . . . . . . . 3.00 parsed_1jy9 1 18 1 . . . . . . . 3.00 parsed_1jy9 1 19 1 . . . . . . . 4.00 parsed_1jy9 1 20 1 . . . . . . . 5.00 parsed_1jy9 1 21 1 . . . . . . . 6.00 parsed_1jy9 1 22 1 . . . . . . . 5.00 parsed_1jy9 1 23 1 . . . . . . . 3.00 parsed_1jy9 1 24 1 . . . . . . . 3.00 parsed_1jy9 1 25 1 . . . . . . . 5.00 parsed_1jy9 1 26 1 . . . . . . . 5.00 parsed_1jy9 1 27 1 . . . . . . . 3.00 parsed_1jy9 1 28 1 . . . . . . . 4.00 parsed_1jy9 1 29 1 . . . . . . . 5.00 parsed_1jy9 1 30 1 . . . . . . . 4.00 parsed_1jy9 1 31 1 . . . . . . . 3.00 parsed_1jy9 1 32 1 . . . . . . . 2.00 parsed_1jy9 1 33 1 . . . . . . . 3.00 parsed_1jy9 1 34 1 . . . . . . . 2.00 parsed_1jy9 1 35 1 . . . . . . . 3.00 parsed_1jy9 1 36 1 . . . . . . . 3.00 parsed_1jy9 1 37 1 . . . . . . . 3.00 parsed_1jy9 1 38 1 . . . . . . . 5.00 parsed_1jy9 1 39 1 . . . . . . . 3.00 parsed_1jy9 1 40 1 . . . . . . . 3.00 parsed_1jy9 1 41 1 . . . . . . . 3.00 parsed_1jy9 1 42 1 . . . . . . . 2.00 parsed_1jy9 1 43 1 . . . . . . . 3.00 parsed_1jy9 1 44 1 . . . . . . . 2.00 parsed_1jy9 1 45 1 . . . . . . . 3.00 parsed_1jy9 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 alpha-alpha 16 37 16 48 parsed_1jy9 1 2 "tyr 2,6H to others" 19 37 19 55 parsed_1jy9 1 3 "tyr 3,5H" 27 37 27 46 parsed_1jy9 1 4 amide-amide 35 37 35 48 parsed_1jy9 1 5 alpha-alpha 41 37 41 48 parsed_1jy9 1 6 seq 46 37 46 40 parsed_1jy9 1 7 seq 47 37 47 41 parsed_1jy9 1 stop_ save_
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