NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | item_count |
|
|
38548 |
1rot   |
cing | recoord | 2-parsed | STAR | dihedral angle | 29 |
data_1rot_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1rot
_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_1rot 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1rot
_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 1rot "Master copy" parsed_1rot
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1rot
_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 1rot.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1rot 1
1 1rot.mr . . DISCOVER 2 stereochemistry prochirality "Not applicable" 0 parsed_1rot 1
1 1rot.mr . . DISCOVER 3 distance "hydrogen bond" simple 92 parsed_1rot 1
1 1rot.mr . . DISCOVER 4 distance NOE simple 1291 parsed_1rot 1
1 1rot.mr . . DISCOVER 5 stereochemistry chirality "Not applicable" 0 parsed_1rot 1
1 1rot.mr . . DISCOVER 6 "dihedral angle" "Not applicable" "Not applicable" 29 parsed_1rot 1
1 1rot.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_1rot 1
1 1rot.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1rot 1
stop_
save_
save_Discover_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1rot
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 6
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -10.0 . 1 29 ASP C 1 30 GLU N 1 30 GLU CA 1 30 GLU C parsed_1rot 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -10.0 . 1 38 ARG C 1 39 GLU N 1 39 GLU CA 1 39 GLU C parsed_1rot 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . 1 44 GLU C 1 45 THR N 1 45 THR CA 1 45 THR C parsed_1rot 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -10.0 . 1 47 MET C 1 48 ILE N 1 48 ILE CA 1 48 ILE C parsed_1rot 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . 1 51 ARG C 1 52 VAL N 1 52 VAL CA 1 52 VAL C parsed_1rot 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . 1 52 VAL C 1 53 PHE N 1 53 PHE CA 1 53 PHE C parsed_1rot 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . 1 54 VAL C 1 55 HIS N 1 55 HIS CA 1 55 HIS C parsed_1rot 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . 1 55 HIS C 1 56 TYR N 1 56 TYR CA 1 56 TYR C parsed_1rot 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . 1 56 TYR C 1 57 THR N 1 57 THR CA 1 57 THR C parsed_1rot 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -10.0 . 1 60 LEU C 1 61 LEU N 1 61 LEU CA 1 61 LEU C parsed_1rot 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -10.0 . 1 64 THR C 1 65 LYS N 1 65 LYS CA 1 65 LYS C parsed_1rot 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . 1 67 ASP C 1 68 SER N 1 68 SER CA 1 68 SER C parsed_1rot 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -10.0 . 1 69 SER C 1 70 LEU N 1 70 LEU CA 1 70 LEU C parsed_1rot 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . 1 81 GLY C 1 82 LYS N 1 82 LYS CA 1 82 LYS C parsed_1rot 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . 1 84 GLU C 1 85 VAL N 1 85 VAL CA 1 85 VAL C parsed_1rot 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -10.0 . 1 89 TRP C 1 90 ASP N 1 90 ASP CA 1 90 ASP C parsed_1rot 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -10.0 . 1 92 ALA C 1 93 VAL N 1 93 VAL CA 1 93 VAL C parsed_1rot 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -10.0 . 1 93 VAL C 1 94 ALA N 1 94 ALA CA 1 94 ALA C parsed_1rot 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -10.0 . 1 97 LYS C 1 98 VAL N 1 98 VAL CA 1 98 VAL C parsed_1rot 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . 1 101 LEU C 1 102 CYSH N 1 102 CYSH CA 1 102 CYSH C parsed_1rot 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . 1 102 CYSH C 1 103 ARG N 1 103 ARG CA 1 103 ARG C parsed_1rot 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . 1 104 ILE C 1 105 THR N 1 105 THR CA 1 105 THR C parsed_1rot 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . 1 105 THR C 1 106 CYSH N 1 106 CYSH CA 1 106 CYSH C parsed_1rot 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -10.0 . 1 108 PRO C 1 109 GLU N 1 109 GLU CA 1 109 GLU C parsed_1rot 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . 1 110 TYR C 1 111 ALA N 1 111 ALA CA 1 111 ALA C parsed_1rot 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . 1 120 LYS C 1 121 ILE N 1 121 ILE CA 1 121 ILE C parsed_1rot 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . 1 127 LEU C 1 128 VAL N 1 128 VAL CA 1 128 VAL C parsed_1rot 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . 1 128 VAL C 1 129 PHE N 1 129 PHE CA 1 129 PHE C parsed_1rot 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . 1 136 PHE C 1 137 LYS N 1 137 LYS CA 1 137 LYS C parsed_1rot 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 NMR_dihedral 1 1 1 13 parsed_1rot 1
stop_
save_
Contact the webmaster for help, if required. Sunday, April 28, 2024 8:38:10 PM GMT (wattos1)