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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
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38674 |
1rvs ![]() ![]() |
cing | 2-parsed | STAR | entry | full | 62 |
data_1rvs_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1rvs _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_1rvs 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1rvs _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 1rvs "Master copy" parsed_1rvs stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1rvs _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 1rvs.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1rvs 1 1 1rvs.mr . . STAR 2 "chemical shift" "Not applicable" "Not applicable" 0 parsed_1rvs 1 1 1rvs.mr . . XPLOR/CNS 3 distance "general distance" simple 35 parsed_1rvs 1 1 1rvs.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 27 parsed_1rvs 1 1 1rvs.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1rvs 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_1rvs _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 14-DEC-03 1RVS *TITLE STRUCTURE OF TRANSTHYRETIN IN AMYLOID FIBRILS DETERMINED BY *TITLE 2 SOLID-STATE MAGIC ANGLE SPINNING NMR *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: TRANSTHYRETIN; *COMPND 3 CHAIN: A; *COMPND 4 FRAGMENT: RESIDUES 1-11; *COMPND 5 SYNONYM: PREALBUMIN, TBPA; *COMPND 6 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 OTHER_DETAILS: THE SEQUENCE OF THE PEPTIDE IS NATURALLY *SOURCE 4 FOUND IN RATTUS NORVEGICUS (RAT). IT WAS SYNTHESIZED BY *SOURCE 5 STANDARD SOLID-PHASE METHODS AND HPLC PURIFICATION. *KEYWDS TRANSTHYRETIN, TTR, AMYLOID, FIBRIL *EXPDTA NMR, 20 STRUCTURES *AUTHOR C.P.JARONIEC, C.E.MACPHEE, V.S.BAJAJ, M.T.MCMAHON, *AUTHOR 2 C.M.DOBSON, R.G.GRIFFIN *REVDAT 1 20-JAN-04 1RVS 0 ; save_ save_CNS/XPLOR_distance_constraints_3 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_1rvs _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type "general distance" _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_1rvs 1 2 1 . . . parsed_1rvs 1 3 1 . . . parsed_1rvs 1 4 1 . . . parsed_1rvs 1 5 1 . . . parsed_1rvs 1 6 1 . . . parsed_1rvs 1 7 1 . . . parsed_1rvs 1 8 1 . . . parsed_1rvs 1 9 1 . . . parsed_1rvs 1 10 1 . . . parsed_1rvs 1 11 1 . . . parsed_1rvs 1 12 1 . . . parsed_1rvs 1 13 1 . . . parsed_1rvs 1 14 1 . . . parsed_1rvs 1 15 1 . . . parsed_1rvs 1 16 1 . . . parsed_1rvs 1 17 1 . . . parsed_1rvs 1 18 1 . . . parsed_1rvs 1 19 1 . . . parsed_1rvs 1 20 1 . . . parsed_1rvs 1 21 1 . . . parsed_1rvs 1 22 1 . . . parsed_1rvs 1 23 1 . . . parsed_1rvs 1 24 1 . . . parsed_1rvs 1 25 1 . . . parsed_1rvs 1 26 1 . . . parsed_1rvs 1 27 1 . . . parsed_1rvs 1 28 1 . . . parsed_1rvs 1 29 1 . . . parsed_1rvs 1 30 1 . . . parsed_1rvs 1 31 1 . . . parsed_1rvs 1 32 1 . . . parsed_1rvs 1 33 1 . . . parsed_1rvs 1 34 1 . . . parsed_1rvs 1 35 1 . . . parsed_1rvs 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 . . . . . . . . . 1 . cb parsed_1rvs 1 1 1 2 . . . . . . . . . 2 . n parsed_1rvs 1 2 1 1 . . . . . . . . . 1 . cg parsed_1rvs 1 2 1 2 . . . . . . . . . 1 . n parsed_1rvs 1 3 1 1 . . . . . . . . . 1 . cg parsed_1rvs 1 3 1 2 . . . . . . . . . 2 . n parsed_1rvs 1 4 1 1 . . . . . . . . . 2 . cb parsed_1rvs 1 4 1 2 . . . . . . . . . 3 . n parsed_1rvs 1 5 1 1 . . . . . . . . . 2 . cg2 parsed_1rvs 1 5 1 2 . . . . . . . . . 2 . n parsed_1rvs 1 6 1 1 . . . . . . . . . 2 . cg2 parsed_1rvs 1 6 1 2 . . . . . . . . . 3 . n parsed_1rvs 1 7 1 1 . . . . . . . . . 3 . cb parsed_1rvs 1 7 1 2 . . . . . . . . . 4 . n parsed_1rvs 1 8 1 1 . . . . . . . . . 3 . cg1 parsed_1rvs 1 8 1 2 . . . . . . . . . 3 . n parsed_1rvs 1 9 1 1 . . . . . . . . . 3 . cg1 parsed_1rvs 1 9 1 2 . . . . . . . . . 4 . n parsed_1rvs 1 10 1 1 . . . . . . . . . 3 . cg2 parsed_1rvs 1 10 1 2 . . . . . . . . . 3 . n parsed_1rvs 1 11 1 1 . . . . . . . . . 3 . cg2 parsed_1rvs 1 11 1 2 . . . . . . . . . 4 . n parsed_1rvs 1 12 1 1 . . . . . . . . . 3 . cd1 parsed_1rvs 1 12 1 2 . . . . . . . . . 3 . n parsed_1rvs 1 13 1 1 . . . . . . . . . 3 . cd1 parsed_1rvs 1 13 1 2 . . . . . . . . . 4 . n parsed_1rvs 1 14 1 1 . . . . . . . . . 4 . cb parsed_1rvs 1 14 1 2 . . . . . . . . . 5 . n parsed_1rvs 1 15 1 1 . . . . . . . . . 5 . cb parsed_1rvs 1 15 1 2 . . . . . . . . . 6 . n parsed_1rvs 1 16 1 1 . . . . . . . . . 6 . cb parsed_1rvs 1 16 1 2 . . . . . . . . . 7 . n parsed_1rvs 1 17 1 1 . . . . . . . . . 6 . cd1 parsed_1rvs 1 17 1 2 . . . . . . . . . 6 . n parsed_1rvs 1 18 1 1 . . . . . . . . . 6 . cd1 parsed_1rvs 1 18 1 2 . . . . . . . . . 7 . n parsed_1rvs 1 19 1 1 . . . . . . . . . 7 . cb parsed_1rvs 1 19 1 2 . . . . . . . . . 8 . n parsed_1rvs 1 20 1 1 . . . . . . . . . 7 . cg parsed_1rvs 1 20 1 2 . . . . . . . . . 7 . n parsed_1rvs 1 21 1 1 . . . . . . . . . 7 . cg parsed_1rvs 1 21 1 2 . . . . . . . . . 8 . n parsed_1rvs 1 22 1 1 . . . . . . . . . 7 . cd1 parsed_1rvs 1 22 1 2 . . . . . . . . . 7 . n parsed_1rvs 1 23 1 1 . . . . . . . . . 7 . cd1 parsed_1rvs 1 23 1 2 . . . . . . . . . 8 . n parsed_1rvs 1 24 1 1 . . . . . . . . . 7 . cd2 parsed_1rvs 1 24 1 2 . . . . . . . . . 7 . n parsed_1rvs 1 25 1 1 . . . . . . . . . 7 . cd2 parsed_1rvs 1 25 1 2 . . . . . . . . . 8 . n parsed_1rvs 1 26 1 1 . . . . . . . . . 9 . cb parsed_1rvs 1 26 1 2 . . . . . . . . . 9 . n parsed_1rvs 1 27 1 1 . . . . . . . . . 9 . cb parsed_1rvs 1 27 1 2 . . . . . . . . . 10 . n parsed_1rvs 1 28 1 1 . . . . . . . . . 9 . cg parsed_1rvs 1 28 1 2 . . . . . . . . . 9 . n parsed_1rvs 1 29 1 1 . . . . . . . . . 9 . cg parsed_1rvs 1 29 1 2 . . . . . . . . . 10 . n parsed_1rvs 1 30 1 1 . . . . . . . . . 9 . cd parsed_1rvs 1 30 1 2 . . . . . . . . . 8 . n parsed_1rvs 1 31 1 1 . . . . . . . . . 10 . cg parsed_1rvs 1 31 1 2 . . . . . . . . . 10 . n parsed_1rvs 1 32 1 1 . . . . . . . . . 4 . c parsed_1rvs 1 32 1 2 . . . . . . . . . 6 . n parsed_1rvs 1 33 1 1 . . . . . . . . . 7 . ca parsed_1rvs 1 33 1 2 . . . . . . . . . 6 . n parsed_1rvs 1 34 1 1 . . . . . . . . . 8 . c parsed_1rvs 1 34 1 2 . . . . . . . . . 10 . n parsed_1rvs 1 35 1 1 . . . . . . . . . 11 . ca parsed_1rvs 1 35 1 2 . . . . . . . . . 10 . n parsed_1rvs 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 . . . . . 3.3 2.97 3.63 parsed_1rvs 1 2 1 . . . . . 3.18 2.98 3.38 parsed_1rvs 1 3 1 . . . . . 3.5 3.5 8.0 parsed_1rvs 1 4 1 . . . . . 3.5 3.15 3.85 parsed_1rvs 1 5 1 . . . . . 3.6 3.24 3.96 parsed_1rvs 1 6 1 . . . . . 3.2 2.88 3.52 parsed_1rvs 1 7 1 . . . . . 3.4 3.06 3.74 parsed_1rvs 1 8 1 . . . . . 3.1 2.79 3.41 parsed_1rvs 1 9 1 . . . . . 4.0 3.60 4.40 parsed_1rvs 1 10 1 . . . . . 3.8 3.42 4.18 parsed_1rvs 1 11 1 . . . . . 3.1 2.79 3.41 parsed_1rvs 1 12 1 . . . . . 4.6 4.14 5.06 parsed_1rvs 1 13 1 . . . . . 5.7 5.13 6.27 parsed_1rvs 1 14 1 . . . . . 3.5 3.15 3.85 parsed_1rvs 1 15 1 . . . . . 3.3 2.97 3.63 parsed_1rvs 1 16 1 . . . . . 3.6 3.24 3.96 parsed_1rvs 1 17 1 . . . . . 4.2 3.78 4.62 parsed_1rvs 1 18 1 . . . . . 3.4 3.06 3.74 parsed_1rvs 1 19 1 . . . . . 3.8 3.60 4.00 parsed_1rvs 1 20 1 . . . . . 3.0 2.70 3.30 parsed_1rvs 1 21 1 . . . . . 4.6 4.14 5.06 parsed_1rvs 1 22 1 . . . . . 3.5 3.5 8.0 parsed_1rvs 1 23 1 . . . . . 3.5 3.5 8.0 parsed_1rvs 1 24 1 . . . . . 3.2 2.88 3.52 parsed_1rvs 1 25 1 . . . . . 5.5 4.95 6.05 parsed_1rvs 1 26 1 . . . . . 2.4 2.16 2.64 parsed_1rvs 1 27 1 . . . . . 3.7 3.33 4.07 parsed_1rvs 1 28 1 . . . . . 2.3 2.07 2.53 parsed_1rvs 1 29 1 . . . . . 3.5 3.5 8.0 parsed_1rvs 1 30 1 . . . . . 3.2 2.88 3.52 parsed_1rvs 1 31 1 . . . . . 2.8 2.8 8.0 parsed_1rvs 1 32 1 . . . . . 4.25 4.10 4.70 parsed_1rvs 1 33 1 . . . . . 4.56 4.44 5.18 parsed_1rvs 1 34 1 . . . . . 4.06 4.00 4.42 parsed_1rvs 1 35 1 . . . . . 5.0 4.5 6.8 parsed_1rvs 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 "tyr105 cb" 9 1 9 11 parsed_1rvs 1 2 "tyr105 cg" 12 1 12 11 parsed_1rvs 1 3 "thr106 cb" 16 1 16 11 parsed_1rvs 1 4 "thr106 cg" 19 1 19 11 parsed_1rvs 1 5 "i107 cb" 23 1 23 10 parsed_1rvs 1 6 "i107 cg1" 26 1 26 10 parsed_1rvs 1 7 "i107 cg2" 30 1 30 11 parsed_1rvs 1 8 "i107 cd" 34 1 34 10 parsed_1rvs 1 9 "a108 cb" 38 1 38 10 parsed_1rvs 1 10 "ala109 cb" 41 1 41 12 parsed_1rvs 1 11 "leu110 cb" 44 1 44 12 parsed_1rvs 1 12 "leu110 cd1" 47 1 47 13 parsed_1rvs 1 13 "leu 111 cb" 51 1 51 12 parsed_1rvs 1 14 "leu 111 cg" 54 1 54 12 parsed_1rvs 1 15 "leu 111 cd1" 58 1 58 15 parsed_1rvs 1 16 "leu 111 cd2" 62 1 62 14 parsed_1rvs 1 17 "pro 113 cb" 66 1 66 13 parsed_1rvs 1 18 "pro 113 cg" 70 1 70 13 parsed_1rvs 1 19 "pro 113 cd" 74 1 74 13 parsed_1rvs 1 20 "y 114 cg" 77 1 77 11 parsed_1rvs 1 21 "ala 108 co" 80 1 80 13 parsed_1rvs 1 22 "leu 111 ca" 83 1 83 13 parsed_1rvs 1 23 "s112 co" 86 1 86 10 parsed_1rvs 1 24 "s115 ca" 89 1 89 10 parsed_1rvs 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 ; # CARBON-NITROGEN DISTANCE RESTRAINTS IN CNS FORMAT # FOR DETAILS SEE PRIMARY REFERENCE FOR DEPOSITED STRUCTURE AND # JARONIEC,C.P.;MACPHEE,C.E.;ASTROF,N.S.;DOBSON,C.M.; # GRIFFIN,R.G. PROC. NATL. ACAD. SCI. USA 2002, 99:16748-16753. # AMINO ACID SEQUENCE: YTIAALLSPYS # 1:Y105,2:T106,3:I107,4:A108,5:A109,6:L110,7:L111,8:S112,9:P113,10:Y114 # 11:S115 ; 1 1 7 9 parsed_1rvs 1 stop_ save_ save_CNS/XPLOR_dihedral_4 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_1rvs _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 4 _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 168.0 . . 1 . n . 1 . ca . 1 . c . 2 . n parsed_1rvs 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 140.0 . . 2 . n . 2 . ca . 2 . c . 3 . n parsed_1rvs 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 131.0 137.0 . . 3 . n . 3 . ca . 3 . c . 4 . n parsed_1rvs 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 140.0 . . 4 . n . 4 . ca . 4 . c . 5 . n parsed_1rvs 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.0 139.0 . . 5 . n . 5 . ca . 5 . c . 6 . n parsed_1rvs 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.0 136.0 . . 6 . n . 6 . ca . 6 . c . 7 . n parsed_1rvs 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.0 150.0 . . 7 . n . 7 . ca . 7 . c . 8 . n parsed_1rvs 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.0 146.0 . . 8 . n . 8 . ca . 8 . c . 9 . n parsed_1rvs 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.0 145.0 . . 9 . n . 9 . ca . 9 . c . 10 . n parsed_1rvs 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.0 153.0 . . 10 . n . 10 . ca . 10 . c . 11 . n parsed_1rvs 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.0 -101.0 . . 1 . c . 2 . n . 2 . ca . 2 . c parsed_1rvs 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.0 -105.0 . . 2 . c . 3 . n . 3 . ca . 3 . c parsed_1rvs 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.0 -98.0 . . 3 . c . 4 . n . 4 . ca . 4 . c parsed_1rvs 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.0 -117.0 . . 4 . c . 5 . n . 5 . ca . 5 . c parsed_1rvs 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.0 -101.0 . . 5 . c . 6 . n . 6 . ca . 6 . c parsed_1rvs 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 6 . c . 7 . n . 7 . ca . 7 . c parsed_1rvs 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.0 -101.0 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_1rvs 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -112.0 -50.0 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_1rvs 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.0 -101.0 . . 9 . c . 10 . n . 10 . ca . 10 . c parsed_1rvs 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 1 . n . 1 . ca . 1 . cb . 1 . cg parsed_1rvs 1 21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 120.0 . . 1 . ca . 1 . cb . 1 . cg . 1 . cd1 parsed_1rvs 1 22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 6 . n . 6 . ca . 6 . cb . 6 . cg parsed_1rvs 1 23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 6 . ca . 6 . cb . 6 . cg . 6 . cd1 parsed_1rvs 1 24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 7 . n . 7 . ca . 7 . cb . 7 . cg parsed_1rvs 1 25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 7 . ca . 7 . cb . 7 . cg . 7 . cd1 parsed_1rvs 1 26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 10 . n . 10 . ca . 10 . cb . 10 . cg parsed_1rvs 1 27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 120.0 . . 10 . ca . 10 . cb . 10 . cg . 10 . cd1 parsed_1rvs 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 "Y105 psi" 8 1 8 11 parsed_1rvs 1 2 "T106 psi" 12 1 12 11 parsed_1rvs 1 3 "I107 psi" 16 1 16 11 parsed_1rvs 1 4 "A108 psi" 20 1 20 11 parsed_1rvs 1 5 "A109 psi" 24 1 24 11 parsed_1rvs 1 6 "L110 psi" 28 1 28 11 parsed_1rvs 1 7 "L111 psi" 32 1 32 11 parsed_1rvs 1 8 "S112 psi" 36 1 36 11 parsed_1rvs 1 9 "P113 psi" 40 1 40 11 parsed_1rvs 1 10 "Y114 psi" 44 1 44 11 parsed_1rvs 1 11 "T106 phi" 48 1 48 11 parsed_1rvs 1 12 "I107 phi" 52 1 52 12 parsed_1rvs 1 13 "A108 phi" 56 1 56 12 parsed_1rvs 1 14 "A109 phi" 60 1 60 12 parsed_1rvs 1 15 "L110 phi" 64 1 64 12 parsed_1rvs 1 16 "L111 phi" 68 1 68 12 parsed_1rvs 1 17 "S112 phi" 72 1 72 12 parsed_1rvs 1 18 "P113 phi" 76 1 76 12 parsed_1rvs 1 19 "Y114 phi" 80 1 80 11 parsed_1rvs 1 20 "Y105 chi1" 87 1 87 12 parsed_1rvs 1 21 "Y105 chi2" 91 1 91 12 parsed_1rvs 1 22 "L110 chi1" 95 1 95 12 parsed_1rvs 1 23 "L110 chi2" 99 1 99 12 parsed_1rvs 1 24 "L111 chi1" 103 1 103 12 parsed_1rvs 1 25 "L111 chi2" 107 1 107 12 parsed_1rvs 1 26 "Y114 chi1" 111 1 111 12 parsed_1rvs 1 27 "Y114 chi2" 115 1 115 12 parsed_1rvs 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 ; # BACKBONE DIHEDRAL ANGLE RESTRAINTS IN CNS FORMAT # FOR DETAILS SEE PRIMARY REFERENCE FOR DEPOSITED STRUCTURE # AMINO ACID SEQUENCE: YTIAALLSPYS # 1:Y105,2:T106,3:I107,4:A108,5:A109,6:L110,7:L111,8:S112,9:P113,10:Y114 # 11:S115 ; 2 1 6 9 parsed_1rvs 1 2 ; # DATABASE-DERIVED ROTAMER RESTRAINTS FOR TYR AND LEU SIDE-CHAINS IN CNS FORMAT # BASED ON REF.: DUNBRACK, R.L. AND KARPLUS, M.J., J.MOL.BIOL. 1993, 203:543-574 ; 84 1 85 80 parsed_1rvs 1 stop_ save_
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