NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
578613 |
2m5e   |
19050 | cing | 2-parsed | STAR | dihedral angle | 38 |
data_2m5e_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2m5e
_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_2m5e 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2m5e
_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 2m5e "Master copy" parsed_2m5e
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2m5e
_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 2m5e.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2m5e 1
1 2m5e.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 136 parsed_2m5e 1
1 2m5e.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 38 parsed_2m5e 1
1 2m5e.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 parsed_2m5e 1
1 2m5e.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 0 parsed_2m5e 1
1 2m5e.mr . . XPLOR/CNS 6 distance "general distance" simple 0 parsed_2m5e 1
1 2m5e.mr . . XPLOR/CNS 7 distance NOE ambi 0 parsed_2m5e 1
1 2m5e.mr . . XPLOR/CNS 8 distance NOE ambi 0 parsed_2m5e 1
1 2m5e.mr . . XPLOR/CNS 9 distance NOE ambi 0 parsed_2m5e 1
1 2m5e.mr . . XPLOR/CNS 10 distance NOE simple 0 parsed_2m5e 1
1 2m5e.mr . . XPLOR/CNS 11 distance NOE simple 0 parsed_2m5e 1
1 2m5e.mr . . XPLOR/CNS 12 distance NOE simple 0 parsed_2m5e 1
1 2m5e.mr . . "MR format" 13 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2m5e 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2m5e
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.00 -30.00 . . 1904 . C . 1905 . N . 1905 . CA . 1905 . C parsed_2m5e 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 15.00 . . 1905 . N . 1905 . CA . 1905 . C . 1906 . N parsed_2m5e 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.78 -40.00 . . 1905 . C . 1906 . N . 1906 . CA . 1906 . C parsed_2m5e 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -8.34 . . 1906 . N . 1906 . CA . 1906 . C . 1907 . N parsed_2m5e 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.26 -40.00 . . 1906 . C . 1907 . N . 1907 . CA . 1907 . C parsed_2m5e 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.96 -10.00 . . 1907 . N . 1907 . CA . 1907 . C . 1908 . N parsed_2m5e 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -32.68 . . 1907 . C . 1908 . N . 1908 . CA . 1908 . C parsed_2m5e 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -4.82 . . 1908 . N . 1908 . CA . 1908 . C . 1909 . N parsed_2m5e 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -38.98 . . 1908 . C . 1909 . N . 1909 . CA . 1909 . C parsed_2m5e 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.60 -10.00 . . 1909 . N . 1909 . CA . 1909 . C . 1910 . N parsed_2m5e 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.42 . . 1909 . C . 1910 . N . 1910 . CA . 1910 . C parsed_2m5e 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.50 -10.00 . . 1910 . N . 1910 . CA . 1910 . C . 1911 . N parsed_2m5e 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -20.80 . . 1910 . C . 1911 . N . 1911 . CA . 1911 . C parsed_2m5e 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.24 -10.00 . . 1911 . N . 1911 . CA . 1911 . C . 1912 . N parsed_2m5e 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.62 . . 1911 . C . 1912 . N . 1912 . CA . 1912 . C parsed_2m5e 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -10.48 . . 1912 . N . 1912 . CA . 1912 . C . 1913 . N parsed_2m5e 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.44 -40.00 . . 1912 . C . 1913 . N . 1913 . CA . 1913 . C parsed_2m5e 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -5.12 . . 1913 . N . 1913 . CA . 1913 . C . 1914 . N parsed_2m5e 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.16 . . 1913 . C . 1914 . N . 1914 . CA . 1914 . C parsed_2m5e 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -17.60 . . 1914 . N . 1914 . CA . 1914 . C . 1915 . N parsed_2m5e 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.70 . . 1914 . C . 1915 . N . 1915 . CA . 1915 . C parsed_2m5e 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -15.92 . . 1915 . N . 1915 . CA . 1915 . C . 1916 . N parsed_2m5e 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.22 -40.00 . . 1915 . C . 1916 . N . 1916 . CA . 1916 . C parsed_2m5e 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -19.82 . . 1916 . N . 1916 . CA . 1916 . C . 1917 . N parsed_2m5e 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -31.92 . . 1916 . C . 1917 . N . 1917 . CA . 1917 . C parsed_2m5e 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.54 0.00 . . 1917 . N . 1917 . CA . 1917 . C . 1918 . N parsed_2m5e 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.94 . . 1917 . C . 1918 . N . 1918 . CA . 1918 . C parsed_2m5e 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.56 -20.00 . . 1918 . N . 1918 . CA . 1918 . C . 1919 . N parsed_2m5e 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.90 . . 1918 . C . 1919 . N . 1919 . CA . 1919 . C parsed_2m5e 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -19.68 . . 1919 . N . 1919 . CA . 1919 . C . 1920 . N parsed_2m5e 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.06 . . 1919 . C . 1920 . N . 1920 . CA . 1920 . C parsed_2m5e 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -17.34 . . 1920 . N . 1920 . CA . 1920 . C . 1921 . N parsed_2m5e 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -38.60 . . 1920 . C . 1921 . N . 1921 . CA . 1921 . C parsed_2m5e 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.48 -10.00 . . 1921 . N . 1921 . CA . 1921 . C . 1922 . N parsed_2m5e 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -35.50 . . 1921 . C . 1922 . N . 1922 . CA . 1922 . C parsed_2m5e 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.18 0.00 . . 1922 . N . 1922 . CA . 1922 . C . 1923 . N parsed_2m5e 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -32.28 . . 1922 . C . 1923 . N . 1923 . CA . 1923 . C parsed_2m5e 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 14.84 . . 1923 . N . 1923 . CA . 1923 . C . 1924 . N parsed_2m5e 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
;
phi/psi dihedral (DANGLE) restraint file for Ca++ CaM+VDSC analysis project
updated assignments, peptide only
;
1 1 2 36 parsed_2m5e 1
2 "restraint 5" 4 81 4 96 parsed_2m5e 1
3 "restraint 6" 6 81 6 96 parsed_2m5e 1
4 "restraint 7" 8 81 8 96 parsed_2m5e 1
5 "restraint 8" 10 81 10 96 parsed_2m5e 1
6 "restraint 9" 12 81 12 96 parsed_2m5e 1
7 "restraint 10" 14 81 14 96 parsed_2m5e 1
8 "restraint 11" 16 81 16 96 parsed_2m5e 1
9 "restraint 12" 18 81 18 96 parsed_2m5e 1
10 "restraint 13" 20 81 20 96 parsed_2m5e 1
11 "restraint 14" 22 81 22 96 parsed_2m5e 1
12 "restraint 15" 24 81 24 96 parsed_2m5e 1
13 "restraint 16" 26 81 26 96 parsed_2m5e 1
14 "restraint 17" 28 81 28 96 parsed_2m5e 1
15 "restraint 18" 30 81 30 96 parsed_2m5e 1
16 "restraint 19" 32 81 32 96 parsed_2m5e 1
17 "restraint 20" 34 81 34 96 parsed_2m5e 1
18 "restraint 21" 36 81 36 96 parsed_2m5e 1
19 "restraint 22" 38 81 38 96 parsed_2m5e 1
20 "restraint 23" 40 81 40 96 parsed_2m5e 1
21 "restraint 24" 42 81 42 96 parsed_2m5e 1
22 "restraint 25" 44 81 44 96 parsed_2m5e 1
23 "restraint 26" 46 81 46 96 parsed_2m5e 1
24 "restraint 27" 48 81 48 96 parsed_2m5e 1
25 "restraint 28" 50 81 50 96 parsed_2m5e 1
26 "restraint 29" 52 81 52 96 parsed_2m5e 1
27 "restraint 30" 54 81 54 96 parsed_2m5e 1
28 "restraint 31" 56 81 56 96 parsed_2m5e 1
29 "restraint 32" 58 81 58 96 parsed_2m5e 1
30 "restraint 33" 60 81 60 96 parsed_2m5e 1
31 "restraint 34" 62 81 62 96 parsed_2m5e 1
32 "restraint 35" 64 81 64 96 parsed_2m5e 1
33 "restraint 36" 66 81 66 96 parsed_2m5e 1
34 "restraint 37" 68 81 68 96 parsed_2m5e 1
35 "restraint 38" 70 81 70 96 parsed_2m5e 1
36 "restraint 39" 72 81 72 96 parsed_2m5e 1
37 "restraint 40" 74 81 74 96 parsed_2m5e 1
38 "restraint 41" 76 81 76 96 parsed_2m5e 1
39 "restraint 42" 78 81 78 96 parsed_2m5e 1
stop_
save_
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