NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
512301 |
2l07   |
17032 | cing | 2-parsed | STAR | entry | full | 34 |
data_2l07_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2l07
_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_2l07 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2l07
_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 2l07 "Master copy" parsed_2l07
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2l07
_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 2l07.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2l07 1
1 2l07.mr . . DYANA/DIANA 2 "dihedral angle" "Not applicable" "Not applicable" 26 parsed_2l07 1
1 2l07.mr . . DYANA/DIANA 3 distance "hydrogen bond" simple 8 parsed_2l07 1
1 2l07.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2l07 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_2l07
_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 PLANT PROTEIN 30-JUN-10 2L07
*TITLE 1H, 13C, AND 15N CHEMICAL SHIFTS AND STRUCTURE OF BRAZZEIN-DERIVED
*TITLE 2 PEPTIDE CKR-PNG
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: DEFENSIN-LIKE PROTEIN;
*COMPND 3 CHAIN: A;
*COMPND 4 SYNONYM: BRAZZEIN;
*COMPND 5 ENGINEERED: YES;
*COMPND 6 MUTATION: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: PENTADIPLANDRA BRAZZEANA;
*SOURCE 3 ORGANISM_TAXID: 43545;
*SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562;
*SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21-CODONPLUS (DE3) RIPL;
*SOURCE 7 EXPRESSION_SYSTEM_VECTOR: PET9A
*KEYWDS PLANT PROTEIN
*EXPDTA SOLUTION NMR
*NUMMDL 20
*AUTHOR S.M.DITTLI, F.M.ASSADI-PORTER, H.RAO, M.TONELLI
*REVDAT 1 22-JUN-11 2L07 0
;
save_
save_DYANA/DIANA_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2l07
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
_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 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -115.0 . . 2 CYSS . . . . . . . . . . . . . parsed_2l07 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 178.0 . . 2 CYSS . . . . . . . . . . . . . parsed_2l07 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.0 -43.0 . . 3 LYS . . . . . . . . . . . . . parsed_2l07 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.0 151.0 . . 3 LYS . . . . . . . . . . . . . parsed_2l07 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.0 -52.0 . . 4 ARG . . . . . . . . . . . . . parsed_2l07 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.0 184.0 . . 4 ARG . . . . . . . . . . . . . parsed_2l07 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.0 -56.0 . . 5 LYS . . . . . . . . . . . . . parsed_2l07 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 88.0 172.0 . . 5 LYS . . . . . . . . . . . . . parsed_2l07 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.0 -74.0 . . 6 VAL . . . . . . . . . . . . . parsed_2l07 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 88.0 140.0 . . 6 VAL . . . . . . . . . . . . . parsed_2l07 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -52.0 . . 7 TYR . . . . . . . . . . . . . parsed_2l07 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.0 188.0 . . 7 TYR . . . . . . . . . . . . . parsed_2l07 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -68.0 . . 9 ASN . . . . . . . . . . . . . parsed_2l07 1
14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -20.0 24.0 . . 9 ASN . . . . . . . . . . . . . parsed_2l07 1
15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 78.0 106.0 . . 10 GLY . . . . . . . . . . . . . parsed_2l07 1
16 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -18.0 6.0 . . 10 GLY . . . . . . . . . . . . . parsed_2l07 1
17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.0 -36.0 . . 11 SER . . . . . . . . . . . . . parsed_2l07 1
18 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 92.0 204.0 . . 11 SER . . . . . . . . . . . . . parsed_2l07 1
19 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -55.0 . . 12 ILE . . . . . . . . . . . . . parsed_2l07 1
20 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.0 164.0 . . 12 ILE . . . . . . . . . . . . . parsed_2l07 1
21 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -171.0 -67.0 . . 15 TYR . . . . . . . . . . . . . parsed_2l07 1
22 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.0 176.0 . . 15 TYR . . . . . . . . . . . . . parsed_2l07 1
23 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.0 -111.0 . . 16 CYSS . . . . . . . . . . . . . parsed_2l07 1
24 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.0 172.0 . . 16 CYSS . . . . . . . . . . . . . parsed_2l07 1
25 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.0 -47.0 . . 17 GLU . . . . . . . . . . . . . parsed_2l07 1
26 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.0 153.0 . . 17 GLU . . . . . . . . . . . . . parsed_2l07 1
stop_
save_
save_DYANA/DIANA_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2l07
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_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_2l07 1
2 1 . . . parsed_2l07 1
3 1 . . . parsed_2l07 1
4 1 . . . parsed_2l07 1
5 1 . . . parsed_2l07 1
6 1 . . . parsed_2l07 1
7 1 . . . parsed_2l07 1
8 1 . . . parsed_2l07 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 . . . . . . . . . 7 TYR H parsed_2l07 1
1 1 2 . . . . . . . . . 11 SER O parsed_2l07 1
2 1 1 . . . . . . . . . 7 TYR N parsed_2l07 1
2 1 2 . . . . . . . . . 11 SER O parsed_2l07 1
3 1 1 . . . . . . . . . 5 LYS O parsed_2l07 1
3 1 2 . . . . . . . . . 13 SER H parsed_2l07 1
4 1 1 . . . . . . . . . 5 LYS O parsed_2l07 1
4 1 2 . . . . . . . . . 13 SER N parsed_2l07 1
5 1 1 . . . . . . . . . 7 TYR H parsed_2l07 1
5 1 2 . . . . . . . . . 11 SER O parsed_2l07 1
6 1 1 . . . . . . . . . 7 TYR N parsed_2l07 1
6 1 2 . . . . . . . . . 11 SER O parsed_2l07 1
7 1 1 . . . . . . . . . 5 LYS O parsed_2l07 1
7 1 2 . . . . . . . . . 13 SER H parsed_2l07 1
8 1 1 . . . . . . . . . 5 LYS O parsed_2l07 1
8 1 2 . . . . . . . . . 13 SER N parsed_2l07 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 . . . . . . . 1.80 parsed_2l07 1
2 1 . . . . . . . 2.70 parsed_2l07 1
3 1 . . . . . . . 1.80 parsed_2l07 1
4 1 . . . . . . . 2.70 parsed_2l07 1
5 1 . . . . . . . 2.00 parsed_2l07 1
6 1 . . . . . . . 3.00 parsed_2l07 1
7 1 . . . . . . . 2.00 parsed_2l07 1
8 1 . . . . . . . 3.00 parsed_2l07 1
stop_
save_
Contact the webmaster for help, if required. Thursday, May 16, 2024 7:04:04 AM GMT (wattos1)