NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
568898 |
2md7   |
19472 | cing | 2-parsed | STAR | dihedral angle | 48 |
data_2md7_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2md7
_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_2md7 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2md7
_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 2md7 "Master copy" parsed_2md7
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2md7
_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 2md7.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2md7 1
1 2md7.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 48 parsed_2md7 1
1 2md7.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2md7 1
1 2md7.mr . . XPLOR/CNS 4 distance NOE ambi 0 parsed_2md7 1
1 2md7.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2md7 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2md7
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.50 11.10 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_2md7 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94.95 160.39 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_2md7 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.00 -24.14 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_2md7 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.84 -27.42 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_2md7 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.10 -28.36 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_2md7 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.86 -8.82 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_2md7 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -14.78 13.52 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_2md7 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.79 166.33 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_2md7 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 141.52 180.48 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_2md7 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 147.88 183.50 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_2md7 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.95 -23.79 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_2md7 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.90 -31.48 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_2md7 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.03 -13.63 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_2md7 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.86 -20.26 . . 28 . N . 28 . CA . 28 . C . 29 . N parsed_2md7 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.77 -34.99 . . 31 . N . 31 . CA . 31 . C . 32 . N parsed_2md7 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.63 -29.49 . . 32 . N . 32 . CA . 32 . C . 33 . N parsed_2md7 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.26 -25.18 . . 33 . N . 33 . CA . 33 . C . 34 . N parsed_2md7 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 132.51 160.37 . . 38 . N . 38 . CA . 38 . C . 39 . N parsed_2md7 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.67 182.33 . . 48 . N . 48 . CA . 48 . C . 49 . N parsed_2md7 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.50 -11.56 . . 49 . N . 49 . CA . 49 . C . 50 . N parsed_2md7 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.83 -32.81 . . 50 . N . 50 . CA . 50 . C . 51 . N parsed_2md7 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.27 -24.93 . . 51 . N . 51 . CA . 51 . C . 52 . N parsed_2md7 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.25 20.77 . . 52 . N . 52 . CA . 52 . C . 53 . N parsed_2md7 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -117.92 -39.90 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_2md7 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.91 -62.07 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_2md7 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.03 -48.71 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_2md7 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.06 -56.86 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2md7 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.37 -57.77 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_2md7 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.62 -60.28 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_2md7 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -103.74 -71.26 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2md7 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.39 -84.17 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_2md7 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.12 -65.10 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_2md7 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.48 -119.98 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_2md7 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.20 -65.60 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_2md7 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.25 -58.33 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_2md7 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.42 -54.70 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_2md7 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.96 -46.42 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_2md7 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.53 -59.15 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_2md7 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.85 -47.49 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_2md7 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.44 -54.18 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_2md7 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.37 -62.17 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_2md7 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.25 -53.89 . . 37 . C . 38 . N . 38 . CA . 38 . C parsed_2md7 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.00 -48.00 . . 38 . C . 39 . N . 39 . CA . 39 . C parsed_2md7 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113.95 -62.27 . . 47 . C . 48 . N . 48 . CA . 48 . C parsed_2md7 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.75 -43.65 . . 48 . C . 49 . N . 49 . CA . 49 . C parsed_2md7 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.30 -52.18 . . 49 . C . 50 . N . 50 . CA . 50 . C parsed_2md7 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.97 -56.67 . . 50 . C . 51 . N . 51 . CA . 51 . C parsed_2md7 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.26 -48.94 . . 51 . C . 52 . N . 52 . CA . 52 . C parsed_2md7 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!
9 D TALOS PSI = -19.20 +/- 20.20
;
1 1 3 41 parsed_2md7 1
2 "11 C TALOS PSI = 127.67 +/- 21.82" 7 1 7 41 parsed_2md7 1
3 "12 E TALOS PSI = -38.57 +/- 9.62" 11 1 11 41 parsed_2md7 1
4 "13 V TALOS PSI = -41.13 +/- 9.14" 15 1 15 41 parsed_2md7 1
5 "14 C TALOS PSI = -41.73 +/- 8.92" 19 1 19 41 parsed_2md7 1
6 "15 R TALOS PSI = -22.34 +/- 9.01" 23 1 23 41 parsed_2md7 1
7 "16 D TALOS PSI = -0.63 +/- 9.44" 27 1 27 40 parsed_2md7 1
8 "20 L TALOS PSI = 143.06 +/- 15.51" 31 1 31 41 parsed_2md7 1
9 "22 C TALOS PSI = 161.00 +/- 12.98" 35 1 35 41 parsed_2md7 1
10 "23 C TALOS PSI = 165.69 +/- 11.88" 39 1 39 41 parsed_2md7 1
11 "25 T TALOS PSI = -38.37 +/- 9.72" 43 1 43 41 parsed_2md7 1
12 "26 C TALOS PSI = -40.19 +/- 5.81" 47 1 47 41 parsed_2md7 1
13 "27 S TALOS PSI = -33.33 +/- 13.13" 51 1 51 41 parsed_2md7 1
14 "28 R TALOS PSI = -35.56 +/- 10.20" 55 1 55 41 parsed_2md7 1
15 "31 H TALOS PSI = -41.88 +/- 4.59" 59 1 59 41 parsed_2md7 1
16 "32 E TALOS PSI = -41.06 +/- 7.71" 63 1 63 41 parsed_2md7 1
17 "33 D TALOS PSI = -38.72 +/- 9.03" 67 1 67 41 parsed_2md7 1
18 "38 P TALOS PSI = 146.44 +/- 9.29" 71 1 71 41 parsed_2md7 1
19 "48 C TALOS PSI = 153.50 +/- 19.22" 75 1 75 41 parsed_2md7 1
20 "49 I TALOS PSI = -30.53 +/- 12.64" 79 1 79 41 parsed_2md7 1
21 "50 F TALOS PSI = -43.32 +/- 7.01" 83 1 83 41 parsed_2md7 1
22 "51 C TALOS PSI = -40.60 +/- 10.45" 87 1 87 41 parsed_2md7 1
23 "52 R TALOS PSI = -9.24 +/- 20.01" 91 1 91 40 parsed_2md7 1
24
;
using 1.5 times the talos error!
9 D TALOS PHI = -78.91 +/- 26.01
;
95 1 97 41 parsed_2md7 1
25 "11 C TALOS PHI = -82.49 +/- 13.62" 101 1 101 41 parsed_2md7 1
26 "12 E TALOS PHI = -56.87 +/- 5.44" 105 1 105 41 parsed_2md7 1
27 "13 V TALOS PHI = -63.96 +/- 4.74" 109 1 109 41 parsed_2md7 1
28 "14 C TALOS PHI = -63.07 +/- 3.54" 113 1 113 41 parsed_2md7 1
29 "15 R TALOS PHI = -67.45 +/- 4.78" 117 1 117 41 parsed_2md7 1
30 "16 D TALOS PHI = -87.50 +/- 10.83" 121 1 121 41 parsed_2md7 1
31 "20 L TALOS PHI = -121.78 +/- 25.07" 125 1 125 42 parsed_2md7 1
32 "21 F TALOS PHI = -102.11 +/- 12.72" 129 1 129 42 parsed_2md7 1
33 "22 C TALOS PHI = -139.23 +/- 12.83" 133 1 133 42 parsed_2md7 1
34 "23 C TALOS PHI = -76.40 +/- 7.20" 137 1 137 41 parsed_2md7 1
35 "25 T TALOS PHI = -65.79 +/- 4.98" 141 1 141 41 parsed_2md7 1
36 "26 C TALOS PHI = -65.06 +/- 6.91" 145 1 145 41 parsed_2md7 1
37 "27 S TALOS PHI = -59.69 +/- 8.85" 149 1 149 41 parsed_2md7 1
38 "28 R TALOS PHI = -72.84 +/- 9.12" 153 1 153 41 parsed_2md7 1
39 "31 H TALOS PHI = -58.67 +/- 7.46" 157 1 157 41 parsed_2md7 1
40 "32 E TALOS PHI = -64.31 +/- 6.75" 161 1 161 41 parsed_2md7 1
41 "33 D TALOS PHI = -70.27 +/- 5.40" 165 1 165 41 parsed_2md7 1
42 "38 P TALOS PHI = -64.07 +/- 6.79" 169 1 169 41 parsed_2md7 1
43 "39 V TALOS PHI = -63.00 +/- 10.00" 173 1 173 41 parsed_2md7 1
44 "48 C TALOS PHI = -88.11 +/- 17.23" 177 1 177 41 parsed_2md7 1
45 "49 I TALOS PHI = -59.20 +/- 10.37" 181 1 181 41 parsed_2md7 1
46 "50 F TALOS PHI = -63.74 +/- 7.71" 185 1 185 41 parsed_2md7 1
47 "51 C TALOS PHI = -64.82 +/- 5.43" 189 1 189 41 parsed_2md7 1
48 "52 R TALOS PHI = -75.60 +/- 17.77" 193 1 193 41 parsed_2md7 1
49 "53 M TALOS PHI = -80.00 +/- 17.00" 197 1 197 41 parsed_2md7 1
stop_
save_
Contact the webmaster for help, if required. Thursday, May 23, 2024 11:34:08 AM GMT (wattos1)