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 |
|
|
531536 |
2lp6   |
6173 | cing | 2-parsed | STAR | dihedral angle | 28 |
data_2lp6_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2lp6
_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_2lp6 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2lp6
_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 2lp6 "Master copy" parsed_2lp6
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2lp6
_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 2lp6.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lp6 1
1 2lp6.mr . . XPLOR/CNS 2 distance NOE simple 1493 parsed_2lp6 1
1 2lp6.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 125 parsed_2lp6 1
1 2lp6.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 28 parsed_2lp6 1
1 2lp6.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 0 parsed_2lp6 1
1 2lp6.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lp6 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2lp6
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -40.00 . . 8 . N . 8 . CA . 8 . CB . 8 . CG parsed_2lp6 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.00 200.00 . . 8 . CA . 8 . CB . 8 . CG . 8 . CD1 parsed_2lp6 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -40.00 . . 27 . N . 27 . CA . 27 . CB . 27 . CG parsed_2lp6 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.00 200.00 . . 27 . CA . 27 . CB . 27 . CG . 27 . CD1 parsed_2lp6 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -40.00 . . 38 . N . 38 . CA . 38 . CB . 38 . CG parsed_2lp6 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.00 200.00 . . 38 . CA . 38 . CB . 38 . CG . 38 . CD1 parsed_2lp6 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -40.00 . . 53 . N . 53 . CA . 53 . CB . 53 . CG parsed_2lp6 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.00 200.00 . . 53 . CA . 53 . CB . 53 . CG . 53 . CD1 parsed_2lp6 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -40.00 . . 75 . N . 75 . CA . 75 . CB . 75 . CG parsed_2lp6 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.00 200.00 . . 75 . CA . 75 . CB . 75 . CG . 75 . CD1 parsed_2lp6 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -40.00 . . 80 . N . 80 . CA . 80 . CB . 80 . CG parsed_2lp6 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.00 200.00 . . 80 . CA . 80 . CB . 80 . CG . 80 . CD1 parsed_2lp6 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.00 200.00 . . 42 . N . 42 . CA . 42 . CB . 42 . CG parsed_2lp6 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.00 80.00 . . 42 . CA . 42 . CB . 42 . CG . 42 . CD1 parsed_2lp6 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -40.00 . . 57 . N . 57 . CA . 57 . CB . 57 . CG1 parsed_2lp6 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.00 200.00 . . 57 . CA . 57 . CB . 57 . CG1 . 57 . CD1 parsed_2lp6 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -40.00 . . 24 . N . 24 . CA . 24 . CB . 24 . CG1 parsed_2lp6 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.00 200.00 . . 24 . CA . 24 . CB . 24 . CG1 . 24 . CD1 parsed_2lp6 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -40.00 . . 52 . N . 52 . CA . 52 . CB . 52 . CG1 parsed_2lp6 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.00 200.00 . . 52 . CA . 52 . CB . 52 . CG1 . 52 . CD1 parsed_2lp6 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -40.00 . . 3 . N . 3 . CA . 3 . CB . 3 . CG1 parsed_2lp6 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.00 200.00 . . 3 . CA . 3 . CB . 3 . CG1 . 3 . CD1 parsed_2lp6 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -40.00 . . 86 . N . 86 . CA . 86 . CB . 86 . CG1 parsed_2lp6 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.00 200.00 . . 86 . CA . 86 . CB . 86 . CG1 . 86 . CD1 parsed_2lp6 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -40.00 . . 10 . N . 10 . CA . 10 . CB . 10 . CG parsed_2lp6 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -40.00 . . 71 . N . 71 . CA . 71 . CB . 71 . CG parsed_2lp6 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.00 100.00 . . 71 . CA . 71 . CB . 71 . CG . 71 . CD1 parsed_2lp6 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.00 200.00 . . 22 . CA . 22 . CB . 22 . CG . 22 . SD parsed_2lp6 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
;
additional chi1/chi2 favourable rotamer constraints for selected ordered residues
base on MolProbity and Procheck analyses and Leu CD1/CD2 chemical shifts
applied at final stage of structure refinement
;
1 1 5 2 parsed_2lp6 1
stop_
save_
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