NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
30544 | 1crp | cing | 2-parsed | STAR | dihedral angle | 69 |
data_1crp_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1crp _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_1crp 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1crp _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 1crp "Master copy" parsed_1crp stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1crp _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 1crp.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1crp 1 1 1crp.mr . . XPLOR/CNS 2 distance NOE simple 3167 parsed_1crp 1 1 1crp.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_1crp 1 1 1crp.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 109 parsed_1crp 1 1 1crp.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1crp 1 1 1crp.mr . . XPLOR/CNS 6 distance "hydrogen bond" simple 18 parsed_1crp 1 1 1crp.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_1crp 1 1 1crp.mr . . XPLOR/CNS 8 distance "general distance" simple 6 parsed_1crp 1 1 1crp.mr . . n/a 9 comment "Not applicable" "Not applicable" 0 parsed_1crp 1 1 1crp.mr . . XPLOR/CNS 10 "dihedral angle" "Not applicable" "Not applicable" 69 parsed_1crp 1 1 1crp.mr . . n/a 11 comment "Not applicable" "Not applicable" 0 parsed_1crp 1 1 1crp.mr . . "MR format" 12 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1crp 1 stop_ save_ save_CNS/XPLOR_dihedral_10 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_1crp _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 10 _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_1crp 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 36 . C . 37 . N . 37 . CA . 37 . C parsed_1crp 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 38 . C . 39 . N . 39 . CA . 39 . C parsed_1crp 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 50 . C . 51 . N . 51 . CA . 51 . C parsed_1crp 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 73 . C . 74 . N . 74 . CA . 74 . C parsed_1crp 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 75 . C . 76 . N . 76 . CA . 76 . C parsed_1crp 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 107 . C . 108 . N . 108 . CA . 108 . C parsed_1crp 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 108 . C . 109 . N . 109 . CA . 109 . C parsed_1crp 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 113 . C . 114 . N . 114 . CA . 114 . C parsed_1crp 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 123 . C . 124 . N . 124 . CA . 124 . C parsed_1crp 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 124 . C . 125 . N . 125 . CA . 125 . C parsed_1crp 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 138 . C . 139 . N . 139 . CA . 139 . C parsed_1crp 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 141 . C . 142 . N . 142 . CA . 142 . C parsed_1crp 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 143 . C . 144 . N . 144 . CA . 144 . C parsed_1crp 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 2 . N . 2 . CA . 2 . CB . 2 . OG1 parsed_1crp 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 4 . N . 4 . CA . 4 . CB . 4 . CG parsed_1crp 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 6 . N . 6 . CA . 6 . CB . 6 . CG parsed_1crp 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 7 . N . 7 . CA . 7 . CB . 7 . CG1 parsed_1crp 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 8 . N . 8 . CA . 8 . CB . 8 . CG1 parsed_1crp 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 20 . N . 20 . CA . 20 . CB . 20 . OG1 parsed_1crp 1 21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 21 . N . 21 . CA . 21 . CB . 21 . CG1 parsed_1crp 1 22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 23 . N . 23 . CA . 23 . CB . 23 . CG parsed_1crp 1 23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 24 . N . 24 . CA . 24 . CB . 24 . CG1 parsed_1crp 1 24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 25 . N . 25 . CA . 25 . CB . 25 . CG parsed_1crp 1 25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 28 . N . 28 . CA . 28 . CB . 28 . CG parsed_1crp 1 26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 35 . N . 35 . CA . 35 . CB . 35 . OG1 parsed_1crp 1 27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 36 . N . 36 . CA . 36 . CB . 36 . CG1 parsed_1crp 1 28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 39 . N . 39 . CA . 39 . CB . 39 . OG parsed_1crp 1 29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 40 . N . 40 . CA . 40 . CB . 40 . CG parsed_1crp 1 30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 45 . N . 45 . CA . 45 . CB . 45 . CG1 parsed_1crp 1 31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 46 . N . 46 . CA . 46 . CB . 46 . CG1 parsed_1crp 1 32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 47 . N . 47 . CA . 47 . CB . 47 . CG parsed_1crp 1 33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 50 . N . 50 . CA . 50 . CB . 50 . OG1 parsed_1crp 1 34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 51 . N . 51 . CA . 51 . CB . 51 . SG parsed_1crp 1 35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 53 . N . 53 . CA . 53 . CB . 53 . CG parsed_1crp 1 36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 54 . N . 54 . CA . 54 . CB . 54 . CG parsed_1crp 1 37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 56 . N . 56 . CA . 56 . CB . 56 . CG parsed_1crp 1 38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 57 . N . 57 . CA . 57 . CB . 57 . CG parsed_1crp 1 39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 58 . N . 58 . CA . 58 . CB . 58 . OG1 parsed_1crp 1 40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 72 . N . 72 . CA . 72 . CB . 72 . CG parsed_1crp 1 41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 74 . N . 74 . CA . 74 . CB . 74 . OG1 parsed_1crp 1 42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 76 . N . 76 . CA . 76 . CB . 76 . CG parsed_1crp 1 43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 80 . N . 80 . CA . 80 . CB . 80 . SG parsed_1crp 1 44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 81 . N . 81 . CA . 81 . CB . 81 . CG1 parsed_1crp 1 45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 88 . N . 88 . CA . 88 . CB . 88 . CG parsed_1crp 1 46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 90 . N . 90 . CA . 90 . CB . 90 . CG parsed_1crp 1 47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 93 . N . 93 . CA . 93 . CB . 93 . CG1 parsed_1crp 1 48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 95 . N . 95 . CA . 95 . CB . 95 . CG parsed_1crp 1 49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 100 . N . 100 . CA . 100 . CB . 100 . CG1 parsed_1crp 1 50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 103 . N . 103 . CA . 103 . CB . 103 . CG1 parsed_1crp 1 51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 109 . N . 109 . CA . 109 . CB . 109 . CG1 parsed_1crp 1 52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 113 . N . 113 . CA . 113 . CB . 113 . CG parsed_1crp 1 53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 114 . N . 114 . CA . 114 . CB . 114 . CG1 parsed_1crp 1 54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 116 . N . 116 . CA . 116 . CB . 116 . CG parsed_1crp 1 55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 118 . N . 118 . CA . 118 . CB . 118 . SG parsed_1crp 1 56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 119 . N . 119 . CA . 119 . CB . 119 . CG parsed_1crp 1 57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 124 . N . 124 . CA . 124 . CB . 124 . OG1 parsed_1crp 1 58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 125 . N . 125 . CA . 125 . CB . 125 . CG1 parsed_1crp 1 59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 132 . N . 132 . CA . 132 . CB . 132 . CG parsed_1crp 1 60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 133 . N . 133 . CA . 133 . CB . 133 . CG parsed_1crp 1 61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 137 . N . 137 . CA . 137 . CB . 137 . CG parsed_1crp 1 62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 141 . N . 141 . CA . 141 . CB . 141 . CG parsed_1crp 1 63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 142 . N . 142 . CA . 142 . CB . 142 . CG1 parsed_1crp 1 64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 150 . N . 150 . CA . 150 . CB . 150 . CG parsed_1crp 1 65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 152 . N . 152 . CA . 152 . CB . 152 . CG1 parsed_1crp 1 66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 153 . N . 153 . CA . 153 . CB . 153 . CG parsed_1crp 1 67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 160 . N . 160 . CA . 160 . CB . 160 . CG1 parsed_1crp 1 68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 163 . N . 163 . CA . 163 . CB . 163 . CG1 parsed_1crp 1 69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 165 . N . 165 . CA . 165 . CB . 165 . CG parsed_1crp 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 ; ras p21, GDP Dihedral angle restraints. The HN-HA restraints are derived from the intensities of the HN-HN (diagonal), HN-HA and HN-HB crosspeaks in the 3D 15NHMQC-TOCSY using the method of Archer et al, Biochemistry (1993) 32, 1164-171. The other restraints are from the 3J-HA-HB and 3J-CO-HB coupling constants derived from the SOFT-HCCH-E.COSY and SOFT-HCCH-COSY spectra described in Eggenberger et al, J. Biomol. NMR (1992) 2, 583-590. Per Kraulis, Dept Biochemistry, University of Cambridge, UK. 7-Apr-1993 22-Jun-1993 restraints derived from HCCH-ECOSY and HCCH-COSY entered ; 1 1 15 73 parsed_1crp 1 2 ; ----------------------------------- phi dihedral angles for beta-sheet ; 25 1 26 37 parsed_1crp 1 3 ; ---------------------- chi-1 dihedral angles ; 71 1 72 24 parsed_1crp 1 4 ; This restrain has to be used in order to exclude a minor family of structures which have an unreasonable geometry that cannot form proper hydrogen bonds involving the carboxylate of 119 Asp and the guanine ring nitrogens. ; 197 1 199 71 parsed_1crp 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 ; constraints dihedral nassign=100 scale=1.0 ; 18 1 22 13 parsed_1crp 1 stop_ save_
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