NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
471351 |
2rqt   |
11081 | cing | 2-parsed | STAR | dihedral angle | 77 |
data_2rqt_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2rqt
_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_2rqt 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2rqt
_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 2rqt "Master copy" parsed_2rqt
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2rqt
_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 2rqt.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2rqt 1
1 2rqt.mr . . XPLOR/CNS 2 distance NOE simple 1024 parsed_2rqt 1
1 2rqt.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 50 parsed_2rqt 1
1 2rqt.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 77 parsed_2rqt 1
1 2rqt.mr . . DYANA/DIANA 5 distance NOE simple 1024 parsed_2rqt 1
1 2rqt.mr . . DYANA/DIANA 6 distance NOE simple 1024 parsed_2rqt 1
1 2rqt.mr . . DYANA/DIANA 7 "dihedral angle" "Not applicable" "Not applicable" 77 parsed_2rqt 1
1 2rqt.mr . . DYANA/DIANA 8 distance "hydrogen bond" simple 0 parsed_2rqt 1
1 2rqt.mr . . DYANA/DIANA 9 distance "hydrogen bond" simple 0 parsed_2rqt 1
1 2rqt.mr . . "MR format" 10 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2rqt 1
stop_
save_
save_DYANA/DIANA_dihedral_7
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2rqt
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 7
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.0 -53.0 . . 1070 ARG . . . . . . . . . . . . . parsed_2rqt 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.0 163.0 . . 1070 ARG . . . . . . . . . . . . . parsed_2rqt 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.0 -88.0 . . 1071 ARG . . . . . . . . . . . . . parsed_2rqt 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 133.0 173.0 . . 1071 ARG . . . . . . . . . . . . . parsed_2rqt 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.0 -95.0 . . 1072 VAL . . . . . . . . . . . . . parsed_2rqt 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.0 179.0 . . 1072 VAL . . . . . . . . . . . . . parsed_2rqt 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.0 -101.0 . . 1073 LYS . . . . . . . . . . . . . parsed_2rqt 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.0 153.0 . . 1073 LYS . . . . . . . . . . . . . parsed_2rqt 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -107.0 . . 1076 TYR . . . . . . . . . . . . . parsed_2rqt 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 132.0 184.0 . . 1076 TYR . . . . . . . . . . . . . parsed_2rqt 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.0 -46.0 . . 1078 CYS . . . . . . . . . . . . . parsed_2rqt 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 171.0 . . 1078 CYS . . . . . . . . . . . . . parsed_2rqt 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.0 -51.0 . . 1079 GLN . . . . . . . . . . . . . parsed_2rqt 1
14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.0 165.0 . . 1079 GLN . . . . . . . . . . . . . parsed_2rqt 1
15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.0 -4.0 . . 1080 ALA . . . . . . . . . . . . . parsed_2rqt 1
16 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.0 185.0 . . 1080 ALA . . . . . . . . . . . . . parsed_2rqt 1
17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -226.0 14.0 . . 1082 ASN . . . . . . . . . . . . . parsed_2rqt 1
18 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.0 187.0 . . 1082 ASN . . . . . . . . . . . . . parsed_2rqt 1
19 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -45.0 . . 1083 ASP . . . . . . . . . . . . . parsed_2rqt 1
20 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.0 7.0 . . 1083 ASP . . . . . . . . . . . . . parsed_2rqt 1
21 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.0 -51.0 . . 1084 ASP . . . . . . . . . . . . . parsed_2rqt 1
22 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.0 25.0 . . 1084 ASP . . . . . . . . . . . . . parsed_2rqt 1
23 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.0 -73.0 . . 1086 LEU . . . . . . . . . . . . . parsed_2rqt 1
24 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.0 154.0 . . 1086 LEU . . . . . . . . . . . . . parsed_2rqt 1
25 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.0 -90.0 . . 1087 THR . . . . . . . . . . . . . parsed_2rqt 1
26 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.0 160.0 . . 1087 THR . . . . . . . . . . . . . parsed_2rqt 1
27 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168.0 -52.0 . . 1089 ILE . . . . . . . . . . . . . parsed_2rqt 1
28 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 141.0 185.0 . . 1089 ILE . . . . . . . . . . . . . parsed_2rqt 1
29 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.0 -40.0 . . 1090 GLU . . . . . . . . . . . . . parsed_2rqt 1
30 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.0 162.0 . . 1090 GLU . . . . . . . . . . . . . parsed_2rqt 1
31 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 74.0 118.0 . . 1091 GLY . . . . . . . . . . . . . parsed_2rqt 1
32 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.0 9.0 . . 1091 GLY . . . . . . . . . . . . . parsed_2rqt 1
33 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142.0 -66.0 . . 1093 VAL . . . . . . . . . . . . . parsed_2rqt 1
34 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97.0 161.0 . . 1093 VAL . . . . . . . . . . . . . parsed_2rqt 1
35 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.0 -90.0 . . 1094 ILE . . . . . . . . . . . . . parsed_2rqt 1
36 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.0 150.0 . . 1094 ILE . . . . . . . . . . . . . parsed_2rqt 1
37 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -76.0 . . 1095 ILE . . . . . . . . . . . . . parsed_2rqt 1
38 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 92.0 132.0 . . 1095 ILE . . . . . . . . . . . . . parsed_2rqt 1
39 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.0 -70.0 . . 1096 VAL . . . . . . . . . . . . . parsed_2rqt 1
40 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 88.0 164.0 . . 1096 VAL . . . . . . . . . . . . . parsed_2rqt 1
41 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -186.0 -18.0 . . 1099 GLU . . . . . . . . . . . . . parsed_2rqt 1
42 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.0 184.0 . . 1099 GLU . . . . . . . . . . . . . parsed_2rqt 1
43 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.0 -53.0 . . 1103 GLU . . . . . . . . . . . . . parsed_2rqt 1
44 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.0 46.0 . . 1103 GLU . . . . . . . . . . . . . parsed_2rqt 1
45 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -62.0 . . 1104 TRP . . . . . . . . . . . . . parsed_2rqt 1
46 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 145.0 . . 1104 TRP . . . . . . . . . . . . . parsed_2rqt 1
47 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.0 -80.0 . . 1105 TRP . . . . . . . . . . . . . parsed_2rqt 1
48 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.0 185.0 . . 1105 TRP . . . . . . . . . . . . . parsed_2rqt 1
49 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -114.0 . . 1106 ILE . . . . . . . . . . . . . parsed_2rqt 1
50 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.0 177.0 . . 1106 ILE . . . . . . . . . . . . . parsed_2rqt 1
51 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.0 -101.0 . . 1108 HIS . . . . . . . . . . . . . parsed_2rqt 1
52 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 174.0 . . 1108 HIS . . . . . . . . . . . . . parsed_2rqt 1
53 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -112.0 -52.0 . . 1109 ILE . . . . . . . . . . . . . parsed_2rqt 1
54 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 85.0 145.0 . . 1109 ILE . . . . . . . . . . . . . parsed_2rqt 1
55 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 66.0 94.0 . . 1111 GLY . . . . . . . . . . . . . parsed_2rqt 1
56 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.0 37.0 . . 1111 GLY . . . . . . . . . . . . . parsed_2rqt 1
57 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.0 -25.0 . . 1112 GLN . . . . . . . . . . . . . parsed_2rqt 1
58 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8.0 212.0 . . 1112 GLN . . . . . . . . . . . . . parsed_2rqt 1
59 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -191.0 7.0 . . 1115 ARG . . . . . . . . . . . . . parsed_2rqt 1
60 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87.0 189.0 . . 1115 ARG . . . . . . . . . . . . . parsed_2rqt 1
61 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -176.0 -88.0 . . 1116 LYS . . . . . . . . . . . . . parsed_2rqt 1
62 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 137.0 177.0 . . 1116 LYS . . . . . . . . . . . . . parsed_2rqt 1
63 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -68.0 . . 1118 VAL . . . . . . . . . . . . . parsed_2rqt 1
64 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 170.0 . . 1118 VAL . . . . . . . . . . . . . parsed_2rqt 1
65 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.0 -99.0 . . 1119 PHE . . . . . . . . . . . . . parsed_2rqt 1
66 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 71.0 175.0 . . 1119 PHE . . . . . . . . . . . . . parsed_2rqt 1
67 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 74.0 170.0 . . 1120 PRO . . . . . . . . . . . . . parsed_2rqt 1
68 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.0 -41.0 . . 1121 VAL . . . . . . . . . . . . . parsed_2rqt 1
69 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.0 1.0 . . 1121 VAL . . . . . . . . . . . . . parsed_2rqt 1
70 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.0 -40.0 . . 1122 SER . . . . . . . . . . . . . parsed_2rqt 1
71 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 22.0 . . 1122 SER . . . . . . . . . . . . . parsed_2rqt 1
72 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.0 -118.0 . . 1124 VAL . . . . . . . . . . . . . parsed_2rqt 1
73 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 142.0 178.0 . . 1124 VAL . . . . . . . . . . . . . parsed_2rqt 1
74 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.0 -95.0 . . 1125 HIS . . . . . . . . . . . . . parsed_2rqt 1
75 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.0 169.0 . . 1125 HIS . . . . . . . . . . . . . parsed_2rqt 1
76 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.0 -46.0 . . 1126 ILE . . . . . . . . . . . . . parsed_2rqt 1
77 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.0 150.0 . . 1126 ILE . . . . . . . . . . . . . parsed_2rqt 1
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