NMR Restraints Grid
| |
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_
Contact the webmaster for help, if required. Tuesday, May 28, 2024 10:54:12 PM GMT (wattos1)