Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
568910 | 2md8 RC | 19473 | cing | 2-parsed | STAR | dihedral angle | 47 |
data_2md8_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2md8
_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_2md8 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2md8
_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 2md8 "Master copy" parsed_2md8
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2md8
_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 2md8.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2md8 1
1 2md8.mr . . XPLOR/CNS 2 distance NOE ambi 595 parsed_2md8 1
1 2md8.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 47 parsed_2md8 1
1 2md8.mr . . XPLOR/CNS 4 distance NOE ambi 0 parsed_2md8 1
1 2md8.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2md8 1
1 2md8.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2md8 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2md8
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.91 -62.07 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_2md8 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.03 -48.71 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_2md8 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.06 -56.86 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2md8 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.37 -57.77 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_2md8 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.62 -60.28 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_2md8 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -103.74 -71.26 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2md8 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.58 -89.36 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_2md8 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.00 -64.00 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_2md8 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.62 -119.44 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_2md8 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.61 -65.13 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_2md8 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.50 -42.50 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_2md8 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.25 -58.33 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_2md8 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.42 -54.70 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_2md8 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.96 -46.42 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_2md8 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.53 -59.15 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_2md8 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.85 -47.49 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_2md8 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.44 -54.18 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_2md8 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.37 -62.17 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_2md8 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.50 -46.50 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_2md8 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -108.10 -61.86 . . 47 . C . 48 . N . 48 . CA . 48 . C parsed_2md8 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.46 -49.50 . . 48 . C . 49 . N . 49 . CA . 49 . C parsed_2md8 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.05 -53.95 . . 49 . C . 50 . N . 50 . CA . 50 . C parsed_2md8 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.22 -57.06 . . 50 . C . 51 . N . 51 . CA . 51 . C parsed_2md8 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.42 -53.80 . . 51 . C . 52 . N . 52 . CA . 52 . C parsed_2md8 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94.95 160.39 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_2md8 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.00 -24.14 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_2md8 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.84 -27.42 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_2md8 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.10 -28.36 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_2md8 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.86 -8.82 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_2md8 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -14.78 13.52 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_2md8 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.53 166.77 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_2md8 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 141.53 178.31 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_2md8 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 147.41 183.31 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_2md8 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.50 -27.50 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_2md8 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.95 -23.79 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_2md8 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.90 -31.48 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_2md8 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.03 -13.63 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_2md8 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.86 -20.26 . . 28 . N . 28 . CA . 28 . C . 29 . N parsed_2md8 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.77 -34.99 . . 31 . N . 31 . CA . 31 . C . 32 . N parsed_2md8 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.63 -29.49 . . 32 . N . 32 . CA . 32 . C . 33 . N parsed_2md8 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.26 -25.18 . . 33 . N . 33 . CA . 33 . C . 34 . N parsed_2md8 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.00 -6.00 . . 34 . N . 34 . CA . 34 . C . 35 . N parsed_2md8 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.59 162.43 . . 48 . N . 48 . CA . 48 . C . 49 . N parsed_2md8 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.52 -14.02 . . 49 . N . 49 . CA . 49 . C . 50 . N parsed_2md8 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.31 -30.73 . . 50 . N . 50 . CA . 50 . C . 51 . N parsed_2md8 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.38 -26.50 . . 51 . N . 51 . CA . 51 . C . 52 . N parsed_2md8 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.34 10.60 . . 52 . N . 52 . CA . 52 . C . 53 . N parsed_2md8 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
;
using 1.5 times the talos error!
11 C TALOS PHI = -82.49 +/- 13.62
;
1 1 3 41 parsed_2md8 1
2 "12 E TALOS PHI = -56.87 +/- 5.44" 7 1 7 41 parsed_2md8 1
3 "13 V TALOS PHI = -63.96 +/- 4.74" 11 1 11 41 parsed_2md8 1
4 "14 C TALOS PHI = -63.07 +/- 3.54" 15 1 15 41 parsed_2md8 1
5 "15 R TALOS PHI = -67.45 +/- 4.78" 19 1 19 41 parsed_2md8 1
6 "16 D TALOS PHI = -87.50 +/- 10.83" 23 1 23 41 parsed_2md8 1
7 "20 L TALOS PHI = -126.47 +/- 24.74" 27 1 27 42 parsed_2md8 1
8 "21 F TALOS PHI = -106.00 +/- 28.00" 31 1 31 42 parsed_2md8 1
9 "22 C TALOS PHI = -138.53 +/- 12.73" 35 1 35 42 parsed_2md8 1
10 "23 C TALOS PHI = -75.37 +/- 6.83" 39 1 39 41 parsed_2md8 1
11 "24 D TALOS PHI = -62.00 +/- 13.00" 43 1 43 41 parsed_2md8 1
12 "25 T TALOS PHI = -65.79 +/- 4.98" 47 1 47 41 parsed_2md8 1
13 "26 C TALOS PHI = -65.06 +/- 6.91" 51 1 51 41 parsed_2md8 1
14 "27 S TALOS PHI = -59.69 +/- 8.85" 55 1 55 41 parsed_2md8 1
15 "28 R TALOS PHI = -72.84 +/- 9.12" 59 1 59 41 parsed_2md8 1
16 "31 H TALOS PHI = -58.67 +/- 7.46" 63 1 63 41 parsed_2md8 1
17 "32 E TALOS PHI = -64.31 +/- 6.75" 67 1 67 41 parsed_2md8 1
18 "33 D TALOS PHI = -70.27 +/- 5.40" 71 1 71 41 parsed_2md8 1
19 "34 C TALOS PHI = -81.00 +/- 23.00" 75 1 75 41 parsed_2md8 1
20 "48 C TALOS PHI = -84.98 +/- 15.41" 79 1 79 41 parsed_2md8 1
21 "49 I TALOS PHI = -58.48 +/- 5.99" 83 1 83 41 parsed_2md8 1
22 "50 F TALOS PHI = -64.00 +/- 6.70" 87 1 87 41 parsed_2md8 1
23 "51 C TALOS PHI = -66.14 +/- 6.06" 91 1 91 41 parsed_2md8 1
24 "52 R TALOS PHI = -71.11 +/- 11.54" 95 1 95 41 parsed_2md8 1
25
;
using 1.5 times the talos error!
11 C TALOS PSI = 127.67 +/- 21.82
;
99 1 101 41 parsed_2md8 1
26 "12 E TALOS PSI = -38.57 +/- 9.62" 105 1 105 41 parsed_2md8 1
27 "13 V TALOS PSI = -41.13 +/- 9.14" 109 1 109 41 parsed_2md8 1
28 "14 C TALOS PSI = -41.73 +/- 8.92" 113 1 113 41 parsed_2md8 1
29 "15 R TALOS PSI = -22.34 +/- 9.01" 117 1 117 41 parsed_2md8 1
30 "16 D TALOS PSI = -0.63 +/- 9.44" 121 1 121 40 parsed_2md8 1
31 "20 L TALOS PSI = 143.65 +/- 15.41" 125 1 125 41 parsed_2md8 1
32 "22 C TALOS PSI = 159.92 +/- 12.26" 129 1 129 41 parsed_2md8 1
33 "23 C TALOS PSI = 165.36 +/- 11.97" 133 1 133 41 parsed_2md8 1
34 "24 D TALOS PSI = -38.00 +/- 7.00" 137 1 137 41 parsed_2md8 1
35 "25 T TALOS PSI = -38.37 +/- 9.72" 141 1 141 41 parsed_2md8 1
36 "26 C TALOS PSI = -40.19 +/- 5.81" 145 1 145 41 parsed_2md8 1
37 "27 S TALOS PSI = -33.33 +/- 13.13" 149 1 149 41 parsed_2md8 1
38 "28 R TALOS PSI = -35.56 +/- 10.20" 153 1 153 41 parsed_2md8 1
39 "31 H TALOS PSI = -41.88 +/- 4.59" 157 1 157 41 parsed_2md8 1
40 "32 E TALOS PSI = -41.06 +/- 7.71" 161 1 161 41 parsed_2md8 1
41 "33 D TALOS PSI = -38.72 +/- 9.03" 165 1 165 41 parsed_2md8 1
42 "34 C TALOS PSI = -24.00 +/- 12.00" 169 1 169 41 parsed_2md8 1
43 "48 C TALOS PSI = 129.01 +/- 22.28" 173 1 173 41 parsed_2md8 1
44 "49 I TALOS PSI = -33.77 +/- 13.17" 177 1 177 41 parsed_2md8 1
45 "50 F TALOS PSI = -42.02 +/- 7.53" 181 1 181 41 parsed_2md8 1
46 "51 C TALOS PSI = -40.94 +/- 9.63" 185 1 185 41 parsed_2md8 1
47 "52 R TALOS PSI = -12.87 +/- 15.65" 189 1 189 41 parsed_2md8 1
stop_
save_