NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
32681 |
1gjt   |
cing | 2-parsed | STAR | dihedral angle | 57 |
data_1gjt_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1gjt
_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_1gjt 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1gjt
_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 1gjt "Master copy" parsed_1gjt
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1gjt
_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 1gjt.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1gjt 1
1 1gjt.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1gjt 1
1 1gjt.mr . . XPLOR/CNS 3 distance NOE simple 839 parsed_1gjt 1
1 1gjt.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 57 parsed_1gjt 1
1 1gjt.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1gjt 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1gjt
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_1gjt 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_1gjt 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_1gjt 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_1gjt 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_1gjt 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_1gjt 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_1gjt 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_1gjt 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_1gjt 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -178.00 -2.00 . . 29 . c . 30 . n . 30 . ca . 30 . c parsed_1gjt 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -178.00 -2.00 . . 30 . c . 31 . n . 31 . ca . 31 . c parsed_1gjt 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_1gjt 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -178.00 -2.00 . . 32 . c . 33 . n . 33 . ca . 33 . c parsed_1gjt 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -178.00 -2.00 . . 33 . c . 33 . n . 34 . ca . 34 . c parsed_1gjt 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -178.00 -2.00 . . 35 . c . 36 . n . 36 . ca . 36 . c parsed_1gjt 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 36 . C . 37 . N . 37 . CA . 37 . C parsed_1gjt 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -178.00 -2.00 . . 37 . c . 38 . n . 38 . ca . 38 . c parsed_1gjt 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -178.00 -2.00 . . 38 . c . 39 . n . 39 . ca . 39 . c parsed_1gjt 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_1gjt 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 40 . C . 41 . N . 41 . CA . 41 . C parsed_1gjt 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 41 . C . 42 . N . 42 . CA . 42 . C parsed_1gjt 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 42 . C . 43 . N . 43 . CA . 43 . C parsed_1gjt 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_1gjt 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 44 . C . 45 . N . 45 . CA . 45 . C parsed_1gjt 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -178.00 -2.00 . . 45 . c . 46 . n . 46 . ca . 46 . c parsed_1gjt 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 46 . C . 47 . N . 47 . CA . 47 . C parsed_1gjt 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -178.00 -2.00 . . 47 . c . 48 . n . 48 . ca . 48 . c parsed_1gjt 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -178.00 -2.00 . . 48 . c . 49 . n . 49 . ca . 49 . c parsed_1gjt 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -178.00 -2.00 . . 49 . c . 50 . n . 50 . ca . 50 . c parsed_1gjt 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 50 . C . 51 . N . 51 . CA . 51 . C parsed_1gjt 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 52 . C . 53 . N . 53 . CA . 53 . C parsed_1gjt 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 53 . C . 54 . N . 54 . CA . 54 . C parsed_1gjt 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 54 . C . 55 . N . 55 . CA . 55 . C parsed_1gjt 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 55 . C . 56 . N . 56 . CA . 56 . C parsed_1gjt 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 56 . C . 57 . N . 57 . CA . 57 . C parsed_1gjt 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 57 . C . 58 . N . 58 . CA . 58 . C parsed_1gjt 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 58 . C . 59 . N . 59 . CA . 59 . C parsed_1gjt 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 59 . C . 60 . N . 60 . CA . 60 . C parsed_1gjt 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 60 . C . 61 . N . 61 . CA . 61 . C parsed_1gjt 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 61 . C . 62 . N . 62 . CA . 62 . C parsed_1gjt 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -178.00 -2.00 . . 62 . c . 63 . n . 63 . ca . 63 . c parsed_1gjt 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -178.00 -2.00 . . 63 . c . 64 . n . 64 . ca . 64 . c parsed_1gjt 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 25 . N . 25 . CA . 25 . CB . 25 . CG1 parsed_1gjt 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 26 . N . 26 . CA . 26 . CB . 26 . CG parsed_1gjt 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 28 . N . 28 . CA . 28 . CB . 28 . CG parsed_1gjt 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 31 . N . 31 . CA . 31 . CB . 31 . CG parsed_1gjt 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 43 . N . 43 . CA . 43 . CB . 43 . CG parsed_1gjt 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 44 . N . 44 . CA . 44 . CB . 44 . CG1 parsed_1gjt 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 53 . N . 53 . CA . 53 . CB . 53 . CG1 parsed_1gjt 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 56 . N . 56 . CA . 56 . CB . 56 . CG parsed_1gjt 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 60 . N . 60 . CA . 60 . CB . 60 . CG1 parsed_1gjt 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 61 . N . 61 . CA . 61 . CB . 61 . CG parsed_1gjt 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 26 . ca . 26 . cb . 26 . cg . 26 . cd1 parsed_1gjt 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 31 . ca . 31 . cb . 31 . cg . 31 . cd1 parsed_1gjt 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 43 . ca . 43 . cb . 43 . cg . 43 . cd1 parsed_1gjt 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 56 . ca . 56 . cb . 56 . cg . 56 . cd1 parsed_1gjt 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 61 . ca . 61 . cb . 61 . cg . 61 . cd1 parsed_1gjt 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
;
Dihedral angle constraints
Phi-angle constraints
21 Ala: 3.5
;
1 1 5 14 parsed_1gjt 1
2 "22 Glu: 4.0" 9 1 9 14 parsed_1gjt 1
3 "23 Ala: 3.5" 13 1 13 14 parsed_1gjt 1
4 "24 Ala: 3.0" 17 1 17 14 parsed_1gjt 1
5 "25 Val: 3.0" 21 1 21 14 parsed_1gjt 1
6 "26 Leu: 3.0" 25 1 25 14 parsed_1gjt 1
7 "27 Ala: 4.5" 29 1 29 14 parsed_1gjt 1
8 "28 Asn: 4.0" 32 1 32 14 parsed_1gjt 1
9 "29 Arg: 3.0" 36 1 36 14 parsed_1gjt 1
10 "30 Glu:" 40 1 40 11 parsed_1gjt 1
11 "31 Leu:" 44 1 44 11 parsed_1gjt 1
12 "32 Asp: 2.5" 48 1 48 14 parsed_1gjt 1
13 "33 Lys:" 52 1 52 11 parsed_1gjt 1
14 "34 Tyr: 7.0" 56 1 56 14 parsed_1gjt 1
15
;
35 Gly: -
36 Val: 5.5
;
60 1 61 14 parsed_1gjt 1
16 "37 Ser: 4.0" 65 1 65 14 parsed_1gjt 1
17 "38 Asp: -" 68 1 68 12 parsed_1gjt 1
18 "39 Tyr: -" 72 1 72 12 parsed_1gjt 1
19 "40 Tyr: 4.0" 76 1 76 14 parsed_1gjt 1
20 "41 Lys: 4.0" 80 1 80 14 parsed_1gjt 1
21 "42 Asn: 3.0" 84 1 84 15 parsed_1gjt 1
22 "43 Leu: 4.0" 88 1 88 14 parsed_1gjt 1
23 "44 Ile: 3.5" 92 1 92 14 parsed_1gjt 1
24 "45 Asn: 3.5" 96 1 96 14 parsed_1gjt 1
25 "46 Asn: 7.0" 100 1 100 14 parsed_1gjt 1
26 "47 Ala: 3.0" 104 1 104 14 parsed_1gjt 1
27 "48 Lys: -" 108 1 108 12 parsed_1gjt 1
28 "49 Thr: 7.0" 112 1 112 14 parsed_1gjt 1
29 "50 Val: -" 115 1 115 12 parsed_1gjt 1
30 "51 Glu: 3.0" 119 1 119 14 parsed_1gjt 1
31 "53 Val: 3.5" 123 1 123 14 parsed_1gjt 1
32 "54 Lys: 4.0" 127 1 127 14 parsed_1gjt 1
33 "55 Ala: 3.5" 131 1 131 14 parsed_1gjt 1
34 "56 Leu: 4.0" 135 1 135 14 parsed_1gjt 1
35 "57 Ile: 3.0" 139 1 139 14 parsed_1gjt 1
36 "58 Asp: 3.5" 143 1 143 15 parsed_1gjt 1
37 "59 Glu: 4.0" 147 1 147 15 parsed_1gjt 1
38 "60 Ile: 3.0" 151 1 151 14 parsed_1gjt 1
39 "61 Leu: 4.0" 155 1 155 14 parsed_1gjt 1
40 "62 Ala: 3.5" 159 1 159 14 parsed_1gjt 1
41 "63 Ala: 7.0" 163 1 163 14 parsed_1gjt 1
42 "64 Leu: 5.5" 167 1 167 14 parsed_1gjt 1
43 "chi-1 constraints" 172 1 172 20 parsed_1gjt 1
44 "chi-2 constraints" 203 1 203 19 parsed_1gjt 1
stop_
save_
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