NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
651424 | 6wpd | 30745 | cing | 2-parsed | STAR | entry | full | 24 |
data_6wpd_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_6wpd _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_6wpd 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_6wpd _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 6wpd "Master copy" parsed_6wpd stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_6wpd _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 6wpd.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6wpd 1 1 6wpd.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 24 parsed_6wpd 1 1 6wpd.mr . . unknown 3 distance NOE simple 0 parsed_6wpd 1 1 6wpd.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6wpd 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_6wpd _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 27-APR-20 6WPD *TITLE NMR STRUCTURE OF HSP1-NH2 ANTIMICROBIAL PEPTIDE IN PRESENCE OF DPC-D38 *TITLE 2 MICELLES *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: HSP1-NH2; *COMPND 3 CHAIN: A; *COMPND 4 SYNONYM: HSP1; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: BOANA PUNCTATA; *SOURCE 4 ORGANISM_COMMON: POLKA-DOT TREE FROG; *SOURCE 5 ORGANISM_TAXID: 2499473 *KEYWDS ANTIMICROBIAL PEPTIDE, ANTIMICROBIAL PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 10 *AUTHOR R.M.VERLY,I.P.GOMES *REVDAT 1 02-SEP-20 6WPD 0 ; save_ save_CNS/XPLOR_dihedral_2 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_6wpd _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 2 _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.45 -78.69 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_6wpd 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154.89 -34.99 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_6wpd 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.37 -53.53 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_6wpd 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.67 -55.61 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_6wpd 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.14 -60.64 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_6wpd 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.62 -50.74 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_6wpd 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.73 -53.37 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_6wpd 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.23 -50.21 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_6wpd 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.05 -51.17 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_6wpd 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.45 -54.97 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_6wpd 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.88 -53.74 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_6wpd 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.55 -46.55 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_6wpd 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 141.31 184.81 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_6wpd 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.46 176.86 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_6wpd 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.40 -32.86 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_6wpd 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.99 -27.89 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_6wpd 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.29 -36.43 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_6wpd 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.51 -30.25 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_6wpd 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.87 -29.45 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_6wpd 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.21 -35.69 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_6wpd 1 21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.21 -25.87 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_6wpd 1 22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.11 -29.23 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_6wpd 1 23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.58 9.26 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_6wpd 1 24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.61 -16.71 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_6wpd 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 "1. I 2 Phi -122.07 +/- 43.38 (-165.44 to -78.69)" 2 1 2 51 parsed_6wpd 1 2 "2. L 3 Phi -94.94 +/- 59.95 (-154.89 to -34.99)" 7 1 7 50 parsed_6wpd 1 3 "3. D 4 Phi -58.95 +/- 5.42 (-64.37 to -53.53)" 12 1 12 48 parsed_6wpd 1 4 "4. A 5 Phi -63.14 +/- 7.53 (-70.67 to -55.61)" 17 1 17 48 parsed_6wpd 1 5 "5. I 6 Phi -66.89 +/- 6.25 (-73.14 to -60.64)" 22 1 22 48 parsed_6wpd 1 6 "6. K 7 Phi -60.18 +/- 9.44 (-69.62 to -50.74)" 27 1 27 48 parsed_6wpd 1 7 "7. A 8 Phi -64.05 +/- 10.68 (-74.73 to -53.37)" 32 1 32 49 parsed_6wpd 1 8 "8. I 9 Phi -64.72 +/- 14.51 (-79.23 to -50.21)" 37 1 37 49 parsed_6wpd 1 9 "9. A 10 Phi -62.61 +/- 11.44 (-74.04 to -51.17)" 42 1 42 50 parsed_6wpd 1 10 "10. K 11 Phi -62.71 +/- 7.74 (-70.45 to -54.98)" 47 1 47 50 parsed_6wpd 1 11 "11. A 12 Phi -64.81 +/- 11.07 (-75.88 to -53.73)" 52 1 52 51 parsed_6wpd 1 12 "12. A 13 Phi -66.55 +/- 20.00 (-86.55 to -46.55)" 57 1 57 51 parsed_6wpd 1 13 "13. I 2 Psi 163.06 +/- 21.75 (141.31 to 184.81)" 63 1 63 50 parsed_6wpd 1 14 "14. L 3 Psi 163.66 +/- 13.20 (150.46 to 176.86)" 68 1 68 50 parsed_6wpd 1 15 "15. D 4 Psi -41.63 +/- 8.77 (-50.39 to -32.86)" 73 1 73 49 parsed_6wpd 1 16 "16. A 5 Psi -41.94 +/- 14.05 (-55.99 to -27.88)" 78 1 78 50 parsed_6wpd 1 17 "17. I 6 Psi -43.36 +/- 6.93 (-50.29 to -36.43)" 83 1 83 49 parsed_6wpd 1 18 "18. K 7 Psi -42.38 +/- 12.13 (-54.52 to -30.25)" 88 1 88 50 parsed_6wpd 1 19 "19. A 8 Psi -38.66 +/- 9.21 (-47.87 to -29.45)" 93 1 93 49 parsed_6wpd 1 20 "20. I 9 Psi -46.45 +/- 10.76 (-57.20 to -35.69)" 98 1 98 50 parsed_6wpd 1 21 "21. A 10 Psi -40.04 +/- 14.17 (-54.21 to -25.88)" 103 1 103 51 parsed_6wpd 1 22 "22. K 11 Psi -37.67 +/- 8.44 (-46.11 to -29.23)" 108 1 108 50 parsed_6wpd 1 23 "23. A 12 Psi -27.16 +/- 36.42 (-63.58 to 9.25)" 113 1 113 49 parsed_6wpd 1 24 "24. A 13 Psi -36.66 +/- 19.95 (-56.61 to -16.71)" 118 1 118 51 parsed_6wpd 1 stop_ loop_ _TA_constraint_parse_err.ID _TA_constraint_parse_err.Content _TA_constraint_parse_err.Begin_line _TA_constraint_parse_err.Begin_column _TA_constraint_parse_err.End_line _TA_constraint_parse_err.End_column _TA_constraint_parse_err.Entry_ID _TA_constraint_parse_err.Torsion_angle_constraint_list_ID 1 "# Restraints file 1: diedro_novo-dpc.tbl" 1 1 1 40 parsed_6wpd 1 stop_ save_
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