NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
35570 |
1lv3   |
5335 | cing | 2-parsed | STAR | dihedral angle | 29 |
data_1lv3_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1lv3
_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_1lv3 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1lv3
_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 1lv3 "Master copy" parsed_1lv3
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1lv3
_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 1lv3.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1lv3 1
1 1lv3.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1lv3 1
1 1lv3.mr . . XPLOR/CNS 3 distance "general distance" simple 4 parsed_1lv3 1
1 1lv3.mr . . XPLOR/CNS 4 distance "disulfide bond" simple 6 parsed_1lv3 1
1 1lv3.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1lv3 1
1 1lv3.mr . . XPLOR/CNS 6 distance "hydrogen bond" simple 6 parsed_1lv3 1
1 1lv3.mr . . XPLOR/CNS 7 distance NOE simple 351 parsed_1lv3 1
1 1lv3.mr . . XPLOR/CNS 8 "dihedral angle" "Not applicable" "Not applicable" 29 parsed_1lv3 1
1 1lv3.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1lv3 1
stop_
save_
save_CNS/XPLOR_dihedral_8
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1lv3
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 8
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -37.0 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_1lv3 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -37.0 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_1lv3 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -37.0 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_1lv3 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -37.0 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_1lv3 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -37.0 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_1lv3 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -37.0 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_1lv3 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -37.0 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_1lv3 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -37.0 . . 36 . C . 37 . N . 37 . CA . 37 . C parsed_1lv3 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_1lv3 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_1lv3 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_1lv3 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_1lv3 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_1lv3 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_1lv3 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -80.0 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_1lv3 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -80.0 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_1lv3 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.0 -27.0 . . 30 . N . 30 . CA . 30 . C . 31 . N parsed_1lv3 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.0 -27.0 . . 31 . N . 31 . CA . 31 . C . 32 . N parsed_1lv3 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.0 -27.0 . . 32 . N . 32 . CA . 32 . C . 33 . N parsed_1lv3 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.0 -27.0 . . 33 . N . 33 . CA . 33 . C . 34 . N parsed_1lv3 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.0 -27.0 . . 34 . N . 34 . CA . 34 . C . 35 . N parsed_1lv3 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.0 -27.0 . . 35 . N . 35 . CA . 35 . C . 36 . N parsed_1lv3 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.0 -27.0 . . 36 . N . 36 . CA . 36 . C . 37 . N parsed_1lv3 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.0 -27.0 . . 37 . N . 37 . CA . 37 . C . 38 . N parsed_1lv3 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 175.0 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_1lv3 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 175.0 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_1lv3 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 175.0 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_1lv3 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 175.0 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_1lv3 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 175.0 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_1lv3 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
;
BACKBONE DIHEDRAL RESTRAINTS
: PHI restraints
: HELIX
;
2 1 6 16 parsed_1lv3 1
2 "phi is restrained to -57 + or - 20 degrees for J < 6.5" 7 1 7 57 parsed_1lv3 1
3 ": SHEET" 26 1 26 16 parsed_1lv3 1
4 "phi is restrained to -120 + or - 40 degrees for J > 8" 27 1 27 56 parsed_1lv3 1
5 ": OTHER" 37 1 37 15 parsed_1lv3 1
6 "phi is restrained to -100 + or - 80 when Ha-HN own is clearly weaker than prev.Ha" 38 1 38 84 parsed_1lv3 1
7 "phi is restrained to -130 + or - 50 degrees for J > 8" 43 1 43 56 parsed_1lv3 1
8
;
: PSI restraits
: HELIX
;
49 1 51 16 parsed_1lv3 1
9 ": SHEET" 69 1 69 15 parsed_1lv3 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 end 81 1 81 3 parsed_1lv3 1
stop_
save_
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