NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type |
|
|
650825 |
6kha   |
cing | 2-parsed | STAR | dihedral angle |
data_6kha_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6kha
_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_6kha 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6kha
_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 6kha "Master copy" parsed_6kha
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6kha
_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 6kha.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6kha 1
1 6kha.mr . . DYANA/DIANA 2 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_6kha 1
1 6kha.mr . . DYANA/DIANA 3 distance NOE simple 0 parsed_6kha 1
1 6kha.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6kha 1
stop_
save_
save_DYANA/DIANA_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6kha
_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_
_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 "Restraints file 1: 38hrs_torsion.aco" 1 1 1 38 parsed_6kha 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 "2 ILE A PHI -82.44 -42.44" 2 1 2 47 parsed_6kha 1
2 "2 ILE A PSI -50.92 -10.92" 3 1 3 47 parsed_6kha 1
3 "3 VAL A PHI -89.16 -49.16" 4 1 4 47 parsed_6kha 1
4 "3 VAL A PSI -57.96 -17.96" 5 1 5 47 parsed_6kha 1
5 "4 GLU A PHI -90.92 -50.92" 6 1 6 47 parsed_6kha 1
6 "4 GLU A PSI -60.6 -20.6" 7 1 7 46 parsed_6kha 1
7 "5 GLN A PHI -92.55 -52.55" 8 1 8 47 parsed_6kha 1
8 "7 CYS A PHI -82.9 -42.9" 9 1 9 46 parsed_6kha 1
9 "7 CYS A PSI -75.68 -35.68" 10 1 10 47 parsed_6kha 1
10 "8 ALA A PHI -86.71 -46.71" 11 1 11 47 parsed_6kha 1
11 "8 ALA A PSI -52.77 -12.77" 12 1 12 47 parsed_6kha 1
12
;
9 SER A PHI -122.7 -82.7
#9 SER A PSI 183.3 143.3
;
13 1 14 46 parsed_6kha 1
13
;
10 VAL A PHI -142.1 -102.1
#10 VAL A PSI 135.4 95.4
;
15 1 16 45 parsed_6kha 1
14 "11 CYS A PHI -82.9 -42.9" 17 1 17 46 parsed_6kha 1
15 "11 CYS A PSI -58 -18" 18 1 18 44 parsed_6kha 1
16
;
12 SER A PHI -87.7 -47.7
#12 SER A PSI 141.9 101.9
;
19 1 20 46 parsed_6kha 1
17 "13 LEU A PHI -94.3 -54.3" 21 1 21 46 parsed_6kha 1
18 "13 LEU A PSI -48.44 -8.44" 22 1 22 46 parsed_6kha 1
19 "14 TRP A PHI -79.84 -39.84" 23 1 23 47 parsed_6kha 1
20 "17 GLU A PHI -89.61 -49.61" 24 1 24 47 parsed_6kha 1
21 "17 GLU A PSI -26.25 13.75" 25 1 25 46 parsed_6kha 1
22 "18 ASN A PHI -99.17 -59.17" 26 1 26 47 parsed_6kha 1
23 "18 ASN A PSI -31.73 8.27" 27 1 27 45 parsed_6kha 1
24
;
19 TRP A PHI -125.07 -85.07
#19 TRP A PSI 37.06 -2.94
;
28 1 29 46 parsed_6kha 1
25 "20 CYS A PHI -110.9 -70.9" 30 1 30 46 parsed_6kha 1
26 "20 CYS A PSI 134.66 174.66" 31 1 31 47 parsed_6kha 1
27 "21 ASN A PHI -106.21 -66.2" 32 1 32 46 parsed_6kha 1
28 "1 PHE B PSI -20.72 19.28" 33 1 33 46 parsed_6kha 1
29 "2 VAL B PHI -107.79 -67.79" 34 1 34 47 parsed_6kha 1
30 "2 VAL B PSI -37.92 2.08" 35 1 35 45 parsed_6kha 1
31 "3 ASN B PHI -115.11 -75.11" 36 1 36 47 parsed_6kha 1
32 "6 LEU B PHI -136.49 -96.49" 37 1 37 47 parsed_6kha 1
33 "6 LEU B PSI 99.58 139.58" 38 1 38 47 parsed_6kha 1
34 "7 CYS B PHI -150.41 -110.41" 39 1 39 48 parsed_6kha 1
35 "7 CYS B PSI 132.61 172.61" 40 1 40 47 parsed_6kha 1
36 "8 GLY B PHI 33.67 73.67" 41 1 41 46 parsed_6kha 1
37 "8 GLY B PSI -154.45 -114.45" 42 1 42 48 parsed_6kha 1
38 "9 SER B PHI -77.25 -37.25" 43 1 43 47 parsed_6kha 1
39 "9 SER B PSI -45.27 -5.27" 44 1 44 46 parsed_6kha 1
40 "10 HIS B PHI -92.95 -52.95" 45 1 45 47 parsed_6kha 1
41 "10 HIS B PSI -47.97 -7.97" 46 1 46 46 parsed_6kha 1
42 "11 LEU B PHI -105.31 -65.31" 47 1 47 47 parsed_6kha 1
43 "11 LEU B PSI -51.32 -11.32" 48 1 48 47 parsed_6kha 1
44 "12 VAL B PHI -87.57 -47.57" 49 1 49 47 parsed_6kha 1
45 "12 VAL B PSI -55.7 -15.7" 50 1 50 46 parsed_6kha 1
46 "13 GLU B PHI -88.41 -48.41" 51 1 51 47 parsed_6kha 1
47 "13 GLU B PSI -55.5 -15.5" 52 1 52 46 parsed_6kha 1
48 "14 ALA B PHI -88.3 -48.3" 53 1 53 46 parsed_6kha 1
49 "14 ALA B PSI -59.1 -19.1" 54 1 54 46 parsed_6kha 1
50 "15 LEU B PHI -81.57 -41.57" 55 1 55 47 parsed_6kha 1
51 "15 LEU B PSI -59.31 -19.31" 56 1 56 47 parsed_6kha 1
52 "16 TRP B PHI -80.75 -40.75" 57 1 57 47 parsed_6kha 1
53 "16 TRP B PSI -65.1 -25.1" 58 1 58 46 parsed_6kha 1
54 "17 LEU B PHI -96.02 -56.02" 59 1 59 47 parsed_6kha 1
55 "17 LEU B PSI -60.01 -20.01" 60 1 60 47 parsed_6kha 1
56 "18 VAL B PHI -95.78 -55.78" 61 1 61 47 parsed_6kha 1
57 "18 VAL B PSI -60.12 -20.12" 62 1 62 47 parsed_6kha 1
58 "19 CYS B PHI -93.46 -53.46" 63 1 63 47 parsed_6kha 1
59 "19 CYS B PSI -53.29 -13.29" 64 1 64 47 parsed_6kha 1
60 "20 GLY B PHI 38.5 78.5" 65 1 65 45 parsed_6kha 1
61 "20 GLY B PSI 1.9 41.9" 66 1 66 45 parsed_6kha 1
62 "21 GLU B PHI -85.7 -45.7" 67 1 67 46 parsed_6kha 1
63 "21 GLU B PSI -56.2 -16.2" 68 1 68 46 parsed_6kha 1
64 "22 ARG B PHI -94.3 -54.3" 69 1 69 46 parsed_6kha 1
65 "22 ARG B PSI 129 169" 70 1 70 44 parsed_6kha 1
66 "23 GLY B PHI -88.4 -48.4" 71 1 71 46 parsed_6kha 1
67 "23 GLY B PSI -29.7 10.3" 72 1 72 45 parsed_6kha 1
68 "24 PHE B PHI -87.5 -47.5" 73 1 73 46 parsed_6kha 1
69 "24 PHE B PSI -54.6 -14.6" 74 1 74 46 parsed_6kha 1
70 "25 PHE B PHI -150.52 -110.52" 75 1 75 48 parsed_6kha 1
71 "25 PHE B PSI 118.94 158.94" 76 1 76 47 parsed_6kha 1
72 "26 TRP B PHI -135.6 -95.6" 77 1 77 46 parsed_6kha 1
73 "26 TRP B PSI 90.61 130.61" 78 1 78 47 parsed_6kha 1
74 "27 TYR B PHI -150.65 -110.65" 79 1 79 48 parsed_6kha 1
75 "27 TYR B PSI 74.16 114.16" 80 1 80 47 parsed_6kha 1
76 "28 PRO B PHI -96.19 -56.19" 81 1 81 47 parsed_6kha 1
77 "28 PRO B PSI -37.58 2.42" 82 1 82 45 parsed_6kha 1
78 "29 LYS B PHI -113.4 -73.4" 83 1 83 46 parsed_6kha 1
79 "29 LYS B PSI 4.77 44.77" 84 1 84 46 parsed_6kha 1
80 "30 ALA B PHI 101.29 141.29" 85 1 85 47 parsed_6kha 1
stop_
save_
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