NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
643554 | 6s0n | 34414 | cing | 2-parsed | STAR | entry | full | 8 |
data_6s0n_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_6s0n _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_6s0n 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_6s0n _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 6s0n "Master copy" parsed_6s0n stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_6s0n _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 6s0n.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6s0n 1 1 6s0n.mr . . DYANA/DIANA 2 distance NOE simple 0 parsed_6s0n 1 1 6s0n.mr . . DYANA/DIANA 3 distance "hydrogen bond" simple 8 parsed_6s0n 1 1 6s0n.mr . . DYANA/DIANA 4 distance NOE simple 0 parsed_6s0n 1 1 6s0n.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6s0n 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_6s0n _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 PEPTIDE BINDING PROTEIN 17-JUN-19 6S0N *TITLE A9 PEPTIDE *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: GLN-ASP-VAL-ASN-THR-ALA-VAL-ALA-TRP; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: HOMO SAPIENS; *SOURCE 4 ORGANISM_TAXID: 9606 *KEYWDS HER2 RECEPTOR, PEPTIDE-PROTEIN INTERACTION, SATURATION TRANSFER *KEYWDS 2 DIFFERENCE, SPR TECHNIQUE, PEPTIDE BINDING PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR S.DE LUCA,V.VERDOLIVA,M.SAVIANO,R.FATTORUSSO,D.DIANA *REVDAT 1 06-NOV-19 6S0N 0 ; save_ save_DYANA/DIANA_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_6s0n _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_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: a9.cco" 1 1 1 27 parsed_6s0n 1 stop_ loop_ _Dist_constraint_parse_err.ID _Dist_constraint_parse_err.Content _Dist_constraint_parse_err.Begin_line _Dist_constraint_parse_err.Begin_column _Dist_constraint_parse_err.End_line _Dist_constraint_parse_err.End_column _Dist_constraint_parse_err.Entry_ID _Dist_constraint_parse_err.Distance_constraint_list_ID 1 "29 VAL HA H 6.5 2.0" 3 2 3 38 parsed_6s0n 1 2 "30 ASN HA H 6.5 2.0" 4 2 4 38 parsed_6s0n 1 3 "31 THR HA H 6.1 2.0" 5 2 5 38 parsed_6s0n 1 4 "33 VAL HA H 7.0 2.0" 6 2 6 38 parsed_6s0n 1 5 ; 35 TRP HA H 8.8 2.0 ; 7 2 9 2 parsed_6s0n 1 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_6s0n _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type "hydrogen bond" _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 3 _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_6s0n 2 2 1 . . . parsed_6s0n 2 3 1 . . . parsed_6s0n 2 4 1 . . . parsed_6s0n 2 5 1 . . . parsed_6s0n 2 6 1 . . . parsed_6s0n 2 7 1 . . . parsed_6s0n 2 8 1 . . . parsed_6s0n 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 . . . . . . . . . 33 VAL H parsed_6s0n 2 1 1 2 . . . . . . . . . 29 VAL O parsed_6s0n 2 2 1 1 . . . . . . . . . 32 ALA H parsed_6s0n 2 2 1 2 . . . . . . . . . 29 VAL O parsed_6s0n 2 3 1 1 . . . . . . . . . 31 THR H parsed_6s0n 2 3 1 2 . . . . . . . . . 28 ASP O parsed_6s0n 2 4 1 1 . . . . . . . . . 30 ASN H parsed_6s0n 2 4 1 2 . . . . . . . . . 28 ASP O parsed_6s0n 2 5 1 1 . . . . . . . . . 33 VAL N parsed_6s0n 2 5 1 2 . . . . . . . . . 29 VAL C parsed_6s0n 2 6 1 1 . . . . . . . . . 32 ALA N parsed_6s0n 2 6 1 2 . . . . . . . . . 29 VAL C parsed_6s0n 2 7 1 1 . . . . . . . . . 31 THR N parsed_6s0n 2 7 1 2 . . . . . . . . . 28 ASP C parsed_6s0n 2 8 1 1 . . . . . . . . . 30 ASN N parsed_6s0n 2 8 1 2 . . . . . . . . . 28 ASP C parsed_6s0n 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 . . . . . . . 2.2 parsed_6s0n 2 2 1 . . . . . . . 2.2 parsed_6s0n 2 3 1 . . . . . . . 2.2 parsed_6s0n 2 4 1 . . . . . . . 2.2 parsed_6s0n 2 5 1 . . . . . . . 4.0 parsed_6s0n 2 6 1 . . . . . . . 4.0 parsed_6s0n 2 7 1 . . . . . . . 4.0 parsed_6s0n 2 8 1 . . . . . . . 4.0 parsed_6s0n 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 "Restraints file 2: hbond.upl" 1 1 1 30 parsed_6s0n 2 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_6s0n _Distance_constraint_list.ID 3 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 4 _Distance_constraint_list.Details "Generated by Wattos" 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 3: D_1292102950_mr_P2.cyana.V2" 1 1 1 48 parsed_6s0n 3 2 "27 GLN HA H 6.0 2.0" 2 2 2 37 parsed_6s0n 3 3 "28 ASP HA H 6.8 2.0" 3 2 3 38 parsed_6s0n 3 stop_ loop_ _Dist_constraint_parse_err.ID _Dist_constraint_parse_err.Content _Dist_constraint_parse_err.Begin_line _Dist_constraint_parse_err.Begin_column _Dist_constraint_parse_err.End_line _Dist_constraint_parse_err.End_column _Dist_constraint_parse_err.Entry_ID _Dist_constraint_parse_err.Distance_constraint_list_ID 1 "29 VAL HA H 6.5 2.0" 4 2 4 38 parsed_6s0n 3 2 "30 ASN HA H 6.5 2.0" 5 2 5 38 parsed_6s0n 3 3 "31 THR HA H 6.1 2.0" 6 2 6 38 parsed_6s0n 3 4 "32 ALA HA H 6.7 2.0" 7 2 7 38 parsed_6s0n 3 5 "33 VAL HA H 7.0 2.0" 8 2 8 38 parsed_6s0n 3 6 "34 ALA HA H 7.5 2.0" 9 2 9 38 parsed_6s0n 3 7 ; 35 TRP HA H 8.8 2.0 ; 10 2 12 2 parsed_6s0n 3 stop_ save_
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