Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
47561 | 2h3k RC | 6759 | cing | 2-parsed | STAR | dihedral angle | 140 |
data_2h3k_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2h3k
_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_2h3k 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2h3k
_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 2h3k "Master copy" parsed_2h3k
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2h3k
_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 2h3k.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2h3k 1
1 2h3k.mr . . XPLOR/CNS 2 distance NOE ambi 1741 parsed_2h3k 1
1 2h3k.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 66 parsed_2h3k 1
1 2h3k.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_2h3k 1
1 2h3k.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 140 parsed_2h3k 1
1 2h3k.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2h3k 1
stop_
save_
save_CNS/XPLOR_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2h3k
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 5
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 14 . N . 14 . CA . 14 . CB . 14 . CG parsed_2h3k 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 97 . N . 97 . CA . 97 . CB . 97 . CG parsed_2h3k 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 55 . N . 55 . CA . 55 . CB . 55 . CG parsed_2h3k 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 70 . N . 70 . CA . 70 . CB . 70 . CG parsed_2h3k 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 108 . N . 108 . CA . 108 . CB . 108 . CG parsed_2h3k 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 117 . N . 117 . CA . 117 . CB . 117 . CG parsed_2h3k 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 9 . N . 9 . CA . 9 . CB . 9 . CG parsed_2h3k 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 21 . N . 21 . CA . 21 . CB . 21 . CG parsed_2h3k 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 46 . N . 46 . CA . 46 . CB . 46 . CG parsed_2h3k 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 65 . N . 65 . CA . 65 . CB . 65 . CG parsed_2h3k 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 100 . N . 100 . CA . 100 . CB . 100 . CG parsed_2h3k 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 119 . N . 119 . CA . 119 . CB . 119 . CG parsed_2h3k 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 138 . N . 138 . CA . 138 . CB . 138 . CG parsed_2h3k 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.0 -37.0 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2h3k 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.0 22.0 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_2h3k 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -198.0 -30.0 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_2h3k 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 82.0 214.0 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_2h3k 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -191.0 -71.0 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_2h3k 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.0 192.0 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_2h3k 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -167.0 -53.0 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_2h3k 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.0 175.0 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_2h3k 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -194.0 -62.0 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_2h3k 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 85.0 181.0 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_2h3k 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -181.0 -67.0 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_2h3k 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.0 197.0 . . 29 . N . 29 . CA . 29 . C . 30 . N parsed_2h3k 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.0 -96.0 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_2h3k 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.0 180.0 . . 30 . N . 30 . CA . 30 . C . 31 . N parsed_2h3k 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.0 -61.0 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_2h3k 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.0 159.0 . . 31 . N . 31 . CA . 31 . C . 32 . N parsed_2h3k 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -174.0 -72.0 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_2h3k 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 93.0 171.0 . . 32 . N . 32 . CA . 32 . C . 33 . N parsed_2h3k 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113.0 -35.0 . . 37 . C . 38 . N . 38 . CA . 38 . C parsed_2h3k 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.0 161.0 . . 38 . N . 38 . CA . 38 . C . 39 . N parsed_2h3k 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -59.0 . . 47 . C . 48 . N . 48 . CA . 48 . C parsed_2h3k 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94.0 178.0 . . 48 . N . 48 . CA . 48 . C . 49 . N parsed_2h3k 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -220.0 -16.0 . . 50 . C . 51 . N . 51 . CA . 51 . C parsed_2h3k 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 92.0 170.0 . . 51 . N . 51 . CA . 51 . C . 52 . N parsed_2h3k 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -188.0 -38.0 . . 51 . C . 52 . N . 52 . CA . 52 . C parsed_2h3k 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 84.0 168.0 . . 52 . N . 52 . CA . 52 . C . 53 . N parsed_2h3k 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.0 -63.0 . . 52 . C . 53 . N . 53 . CA . 53 . C parsed_2h3k 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 85.0 181.0 . . 53 . N . 53 . CA . 53 . C . 54 . N parsed_2h3k 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166.0 -58.0 . . 53 . C . 54 . N . 54 . CA . 54 . C parsed_2h3k 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 83.0 191.0 . . 54 . N . 54 . CA . 54 . C . 55 . N parsed_2h3k 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -36.0 . . 54 . C . 55 . N . 55 . CA . 55 . C parsed_2h3k 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.0 201.0 . . 55 . N . 55 . CA . 55 . C . 56 . N parsed_2h3k 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -197.0 -29.0 . . 59 . C . 60 . N . 60 . CA . 60 . C parsed_2h3k 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 222.0 . . 60 . N . 60 . CA . 60 . C . 61 . N parsed_2h3k 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142.0 -64.0 . . 60 . C . 61 . N . 61 . CA . 61 . C parsed_2h3k 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 162.0 . . 61 . N . 61 . CA . 61 . C . 62 . N parsed_2h3k 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -74.0 . . 61 . C . 62 . N . 62 . CA . 62 . C parsed_2h3k 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.0 209.0 . . 62 . N . 62 . CA . 62 . C . 63 . N parsed_2h3k 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -94.0 . . 62 . C . 63 . N . 63 . CA . 63 . C parsed_2h3k 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.0 198.0 . . 63 . N . 63 . CA . 63 . C . 64 . N parsed_2h3k 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -33.0 . . 63 . C . 64 . N . 64 . CA . 64 . C parsed_2h3k 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94.0 172.0 . . 64 . N . 64 . CA . 64 . C . 65 . N parsed_2h3k 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -167.0 -65.0 . . 74 . C . 75 . N . 75 . CA . 75 . C parsed_2h3k 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 82.0 196.0 . . 75 . N . 75 . CA . 75 . C . 76 . N parsed_2h3k 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -53.0 . . 75 . C . 76 . N . 76 . CA . 76 . C parsed_2h3k 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 173.0 . . 76 . N . 76 . CA . 76 . C . 77 . N parsed_2h3k 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 76 . C . 77 . N . 77 . CA . 77 . C parsed_2h3k 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.0 186.0 . . 77 . N . 77 . CA . 77 . C . 78 . N parsed_2h3k 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -176.0 -74.0 . . 77 . C . 78 . N . 78 . CA . 78 . C parsed_2h3k 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 88.0 160.0 . . 78 . N . 78 . CA . 78 . C . 79 . N parsed_2h3k 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.0 -44.0 . . 82 . C . 83 . N . 83 . CA . 83 . C parsed_2h3k 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 53.0 185.0 . . 83 . N . 83 . CA . 83 . C . 84 . N parsed_2h3k 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.0 -2.0 . . 83 . C . 84 . N . 84 . CA . 84 . C parsed_2h3k 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 81.0 177.0 . . 84 . N . 84 . CA . 84 . C . 85 . N parsed_2h3k 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.0 -49.0 . . 84 . C . 85 . N . 85 . CA . 85 . C parsed_2h3k 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.0 164.0 . . 85 . N . 85 . CA . 85 . C . 86 . N parsed_2h3k 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -161.0 -71.0 . . 85 . C . 86 . N . 86 . CA . 86 . C parsed_2h3k 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.0 188.0 . . 86 . N . 86 . CA . 86 . C . 87 . N parsed_2h3k 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.0 -43.0 . . 86 . C . 87 . N . 87 . CA . 87 . C parsed_2h3k 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 168.0 . . 87 . N . 87 . CA . 87 . C . 88 . N parsed_2h3k 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -72.0 . . 89 . C . 90 . N . 90 . CA . 90 . C parsed_2h3k 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 84.0 174.0 . . 90 . N . 90 . CA . 90 . C . 91 . N parsed_2h3k 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -176.0 -56.0 . . 90 . C . 91 . N . 91 . CA . 91 . C parsed_2h3k 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 192.0 . . 91 . N . 91 . CA . 91 . C . 92 . N parsed_2h3k 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.0 -42.0 . . 91 . C . 92 . N . 92 . CA . 92 . C parsed_2h3k 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.0 163.0 . . 92 . N . 92 . CA . 92 . C . 93 . N parsed_2h3k 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -39.0 . . 94 . C . 95 . N . 95 . CA . 95 . C parsed_2h3k 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.0 3.0 . . 95 . N . 95 . CA . 95 . C . 96 . N parsed_2h3k 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -58.0 . . 96 . C . 97 . N . 97 . CA . 97 . C parsed_2h3k 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.0 191.0 . . 97 . N . 97 . CA . 97 . C . 98 . N parsed_2h3k 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -184.0 -112.0 . . 97 . C . 98 . N . 98 . CA . 98 . C parsed_2h3k 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.0 199.0 . . 98 . N . 98 . CA . 98 . C . 99 . N parsed_2h3k 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.0 -74.0 . . 98 . C . 99 . N . 99 . CA . 99 . C parsed_2h3k 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 148.0 . . 99 . N . 99 . CA . 99 . C . 100 . N parsed_2h3k 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.0 -109.0 . . 99 . C . 100 . N . 100 . CA . 100 . C parsed_2h3k 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.0 195.0 . . 100 . N . 100 . CA . 100 . C . 101 . N parsed_2h3k 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -198.0 -54.0 . . 100 . C . 101 . N . 101 . CA . 101 . C parsed_2h3k 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 85.0 211.0 . . 101 . N . 101 . CA . 101 . C . 102 . N parsed_2h3k 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -66.0 . . 101 . C . 102 . N . 102 . CA . 102 . C parsed_2h3k 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.0 212.0 . . 102 . N . 102 . CA . 102 . C . 103 . N parsed_2h3k 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -184.0 -4.0 . . 102 . C . 103 . N . 103 . CA . 103 . C parsed_2h3k 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 91.0 199.0 . . 103 . N . 103 . CA . 103 . C . 104 . N parsed_2h3k 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -58.0 . . 103 . C . 104 . N . 104 . CA . 104 . C parsed_2h3k 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 91.0 211.0 . . 104 . N . 104 . CA . 104 . C . 105 . N parsed_2h3k 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.0 -53.0 . . 104 . C . 105 . N . 105 . CA . 105 . C parsed_2h3k 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 74.0 218.0 . . 105 . N . 105 . CA . 105 . C . 106 . N parsed_2h3k 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 62.0 116.0 . . 106 . C . 107 . N . 107 . CA . 107 . C parsed_2h3k 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -33.0 27.0 . . 107 . N . 107 . CA . 107 . C . 108 . N parsed_2h3k 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -178.0 -82.0 . . 109 . C . 110 . N . 110 . CA . 110 . C parsed_2h3k 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.0 185.0 . . 110 . N . 110 . CA . 110 . C . 111 . N parsed_2h3k 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166.0 -88.0 . . 110 . C . 111 . N . 111 . CA . 111 . C parsed_2h3k 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.0 172.0 . . 111 . N . 111 . CA . 111 . C . 112 . N parsed_2h3k 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.0 -79.0 . . 111 . C . 112 . N . 112 . CA . 112 . C parsed_2h3k 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 88.0 172.0 . . 112 . N . 112 . CA . 112 . C . 113 . N parsed_2h3k 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.0 -68.0 . . 112 . C . 113 . N . 113 . CA . 113 . C parsed_2h3k 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.0 184.0 . . 113 . N . 113 . CA . 113 . C . 114 . N parsed_2h3k 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -227.0 -53.0 . . 113 . C . 114 . N . 114 . CA . 114 . C parsed_2h3k 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.0 199.0 . . 114 . N . 114 . CA . 114 . C . 115 . N parsed_2h3k 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.0 -50.0 . . 114 . C . 115 . N . 115 . CA . 115 . C parsed_2h3k 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.0 178.0 . . 115 . N . 115 . CA . 115 . C . 116 . N parsed_2h3k 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -188.0 -56.0 . . 115 . C . 116 . N . 116 . CA . 116 . C parsed_2h3k 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 192.0 . . 116 . N . 116 . CA . 116 . C . 117 . N parsed_2h3k 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -79.0 . . 116 . C . 117 . N . 117 . CA . 117 . C parsed_2h3k 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.0 198.0 . . 117 . N . 117 . CA . 117 . C . 118 . N parsed_2h3k 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -45.0 . . 118 . C . 119 . N . 119 . CA . 119 . C parsed_2h3k 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.0 56.0 . . 119 . N . 119 . CA . 119 . C . 120 . N parsed_2h3k 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -176.0 -20.0 . . 124 . C . 125 . N . 125 . CA . 125 . C parsed_2h3k 1
121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 85.0 169.0 . . 125 . N . 125 . CA . 125 . C . 126 . N parsed_2h3k 1
122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -171.0 -15.0 . . 125 . C . 126 . N . 126 . CA . 126 . C parsed_2h3k 1
123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.0 162.0 . . 126 . N . 126 . CA . 126 . C . 127 . N parsed_2h3k 1
124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -181.0 -1.0 . . 128 . C . 129 . N . 129 . CA . 129 . C parsed_2h3k 1
125 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 154.0 . . 129 . N . 129 . CA . 129 . C . 130 . N parsed_2h3k 1
126 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -174.0 -66.0 . . 129 . C . 130 . N . 130 . CA . 130 . C parsed_2h3k 1
127 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.0 156.0 . . 130 . N . 130 . CA . 130 . C . 131 . N parsed_2h3k 1
128 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -193.0 -79.0 . . 131 . C . 132 . N . 132 . CA . 132 . C parsed_2h3k 1
129 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 198.0 . . 132 . N . 132 . CA . 132 . C . 133 . N parsed_2h3k 1
130 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.0 -85.0 . . 132 . C . 133 . N . 133 . CA . 133 . C parsed_2h3k 1
131 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.0 152.0 . . 133 . N . 133 . CA . 133 . C . 134 . N parsed_2h3k 1
132 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140 -60 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_2h3k 1
133 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140 -60 . . 40 . C . 41 . N . 41 . CA . 41 . C parsed_2h3k 1
134 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140 -60 . . 41 . C . 42 . N . 42 . CA . 42 . C parsed_2h3k 1
135 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140 -60 . . 42 . C . 43 . N . 43 . CA . 43 . C parsed_2h3k 1
136 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140 -60 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_2h3k 1
137 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140 -60 . . 120 . C . 121 . N . 121 . CA . 121 . C parsed_2h3k 1
138 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140 -60 . . 122 . C . 123 . N . 123 . CA . 123 . C parsed_2h3k 1
139 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140 -60 . . 123 . C . 124 . N . 124 . CA . 124 . C parsed_2h3k 1
140 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140 -60 . . 140 . C . 141 . N . 141 . CA . 141 . C parsed_2h3k 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
;
CHI ANGLE RESTRAINTS
!L14 (-60), data good
;
2 2 3 24 parsed_2h3k 1
2 "!H97 (-60), data good" 6 2 6 24 parsed_2h3k 1
3 "!T55 (+60), data good" 9 2 9 24 parsed_2h3k 1
4 "!T70 (+60), data good" 12 2 12 24 parsed_2h3k 1
5 "!T108 (-60), data good" 15 2 15 25 parsed_2h3k 1
6 "!T117 (+60), data good" 18 2 18 25 parsed_2h3k 1
7 "!I9 (+60), data good" 21 2 21 23 parsed_2h3k 1
8 "!I21 (-60), data good" 24 2 24 24 parsed_2h3k 1
9 "!I46 (-60), data good" 27 2 27 24 parsed_2h3k 1
10 "!I65 (-60), data good" 30 2 30 24 parsed_2h3k 1
11 "!I100 (+60), data good:1" 33 2 33 27 parsed_2h3k 1
12 "!I119 (-60), data good" 36 2 36 25 parsed_2h3k 1
13 "!I138 (-60), data good" 39 2 39 25 parsed_2h3k 1
14
;
!!!!!!!!!!!!!!!!!!!!!
These Phi and Psi constraints are based on the results of TALOS
only for residues with 'Good' status.
The center value is the avergae of TALOS predictions.
The range of constrains are three times of standard deviation
of TALOS predictions. But if such a value is smaller than 20
degree, the range is set to 20 degree.
J.I.
!!!!!!!!!!!!!!
!!!!!!!!!!!!!!
A98 (TALOS: Phi -64.0 +/- 9.0 , TALOS: Psi -32.0 +/- 18.0 )
;
42 2 55 64 parsed_2h3k 1
15 "R109 (TALOS: Phi -114.0 +/- 28.0 , TALOS: Psi 148.0 +/- 22.0 )" 60 2 60 66 parsed_2h3k 1
16 "E110 (TALOS: Phi -131.0 +/- 20.0 , TALOS: Psi 153.0 +/- 13.0 )" 65 2 65 66 parsed_2h3k 1
17 "Q111 (TALOS: Phi -110.0 +/- 19.0 , TALOS: Psi 142.0 +/- 11.0 )" 70 2 70 66 parsed_2h3k 1
18 "V112 (TALOS: Phi -128.0 +/- 22.0 , TALOS: Psi 133.0 +/- 16.0 )" 75 2 75 66 parsed_2h3k 1
19 "F114 (TALOS: Phi -124.0 +/- 19.0 , TALOS: Psi 152.0 +/- 15.0 )" 80 2 80 66 parsed_2h3k 1
20 "Q115 (TALOS: Phi -129.0 +/- 11.0 , TALOS: Psi 147.0 +/- 11.0 )" 85 2 85 66 parsed_2h3k 1
21 "L116 (TALOS: Phi -115.0 +/- 18.0 , TALOS: Psi 138.0 +/- 7.0 )" 90 2 90 66 parsed_2h3k 1
22 "L117 (TALOS: Phi -123.0 +/- 17.0 , TALOS: Psi 132.0 +/- 13.0 )" 95 2 95 66 parsed_2h3k 1
23 "T123 (TALOS: Phi -74.0 +/- 13.0 , TALOS: Psi 134.0 +/- 9.0 )" 100 2 100 65 parsed_2h3k 1
24 "D133 (TALOS: Phi -107.0 +/- 16.0 , TALOS: Psi 136.0 +/- 14.0 )" 105 2 105 66 parsed_2h3k 1
25 "D136 (TALOS: Phi -118.0 +/- 34.0 , TALOS: Psi 131.0 +/- 13.0 )" 110 2 110 66 parsed_2h3k 1
26 "V137 (TALOS: Phi -113.0 +/- 25.0 , TALOS: Psi 126.0 +/- 14.0 )" 115 2 115 66 parsed_2h3k 1
27 "Y138 (TALOS: Phi -108.0 +/- 15.0 , TALOS: Psi 133.0 +/- 16.0 )" 120 2 120 66 parsed_2h3k 1
28 "Y139 (TALOS: Phi -112.0 +/- 18.0 , TALOS: Psi 137.0 +/- 18.0 )" 125 2 125 66 parsed_2h3k 1
29 "T140 (TALOS: Phi -108.0 +/- 24.0 , TALOS: Psi 159.0 +/- 14.0 )" 130 2 130 66 parsed_2h3k 1
30 "E145 (TALOS: Phi -113.0 +/- 28.0 , TALOS: Psi 141.0 +/- 27.0 )" 135 2 135 66 parsed_2h3k 1
31 "V146 (TALOS: Phi -103.0 +/- 13.0 , TALOS: Psi 126.0 +/- 12.0 )" 140 2 140 66 parsed_2h3k 1
32 "E147 (TALOS: Phi -122.0 +/- 16.0 , TALOS: Psi 161.0 +/- 16.0 )" 145 2 145 66 parsed_2h3k 1
33 "L148 (TALOS: Phi -142.0 +/- 16.0 , TALOS: Psi 156.0 +/- 14.0 )" 150 2 150 66 parsed_2h3k 1
34 "D149 (TALOS: Phi -99.0 +/- 22.0 , TALOS: Psi 133.0 +/- 13.0 )" 155 2 155 65 parsed_2h3k 1
35 "E160 (TALOS: Phi -116.0 +/- 17.0 , TALOS: Psi 139.0 +/- 19.0 )" 160 2 160 66 parsed_2h3k 1
36 "V161 (TALOS: Phi -104.0 +/- 17.0 , TALOS: Psi 134.0 +/- 13.0 )" 165 2 165 66 parsed_2h3k 1
37 "Y162 (TALOS: Phi -120.0 +/- 10.0 , TALOS: Psi 141.0 +/- 15.0 )" 170 2 170 66 parsed_2h3k 1
38 "E163 (TALOS: Phi -125.0 +/- 17.0 , TALOS: Psi 124.0 +/- 12.0 )" 175 2 175 66 parsed_2h3k 1
39 "L168 (TALOS: Phi -98.0 +/- 18.0 , TALOS: Psi 119.0 +/- 22.0 )" 180 2 180 65 parsed_2h3k 1
40 "P169 (TALOS: Phi -83.0 +/- 27.0 , TALOS: Psi 129.0 +/- 16.0 )" 185 2 185 65 parsed_2h3k 1
41 "V170 (TALOS: Phi -106.0 +/- 19.0 , TALOS: Psi 125.0 +/- 13.0 )" 190 2 190 66 parsed_2h3k 1
42 "R171 (TALOS: Phi -116.0 +/- 15.0 , TALOS: Psi 137.0 +/- 17.0 )" 195 2 195 66 parsed_2h3k 1
43 "L172 (TALOS: Phi -88.0 +/- 15.0 , TALOS: Psi 129.0 +/- 13.0 )" 200 2 200 65 parsed_2h3k 1
44 "Y175 (TALOS: Phi -111.0 +/- 13.0 , TALOS: Psi 129.0 +/- 15.0 )" 205 2 205 66 parsed_2h3k 1
45 "S176 (TALOS: Phi -116.0 +/- 20.0 , TALOS: Psi 126.0 +/- 22.0 )" 210 2 210 66 parsed_2h3k 1
46 "P177 (TALOS: Phi -63.0 +/- 7.0 , TALOS: Psi 142.0 +/- 7.0 )" 215 2 215 65 parsed_2h3k 1
47 "E180 (TALOS: Phi -63.0 +/- 8.0 , TALOS: Psi -30.0 +/- 11.0 )" 220 2 220 65 parsed_2h3k 1
48 "H182 (TALOS: Phi -124.0 +/- 22.0 , TALOS: Psi 152.0 +/- 13.0 )" 225 2 225 66 parsed_2h3k 1
49 "A183 (TALOS: Phi -148.0 +/- 12.0 , TALOS: Psi 154.0 +/- 15.0 )" 230 2 230 66 parsed_2h3k 1
50 "Y184 (TALOS: Phi -110.0 +/- 12.0 , TALOS: Psi 124.0 +/- 8.0 )" 235 2 235 66 parsed_2h3k 1
51 "I185 (TALOS: Phi -133.0 +/- 8.0 , TALOS: Psi 159.0 +/- 12.0 )" 240 2 240 66 parsed_2h3k 1
52 "R186 (TALOS: Phi -126.0 +/- 24.0 , TALOS: Psi 148.0 +/- 21.0 )" 245 2 245 66 parsed_2h3k 1
53 "F187 (TALOS: Phi -138.0 +/- 24.0 , TALOS: Psi 149.0 +/- 21.0 )" 250 2 250 66 parsed_2h3k 1
54 "P188 (TALOS: Phi -94.0 +/- 30.0 , TALOS: Psi 145.0 +/- 18.0 )" 255 2 255 65 parsed_2h3k 1
55 "V189 (TALOS: Phi -124.0 +/- 22.0 , TALOS: Psi 151.0 +/- 20.0 )" 260 2 260 66 parsed_2h3k 1
56 "S190 (TALOS: Phi -73.0 +/- 6.0 , TALOS: Psi 146.0 +/- 24.0 )" 265 2 265 65 parsed_2h3k 1
57 "G192 (TALOS: Phi 89.0 +/- 9.0 , TALOS: Psi -3.0 +/- 10.0 )" 270 2 270 65 parsed_2h3k 1
58 "E195 (TALOS: Phi -130.0 +/- 16.0 , TALOS: Psi 149.0 +/- 12.0 )" 275 2 275 66 parsed_2h3k 1
59 "L196 (TALOS: Phi -127.0 +/- 13.0 , TALOS: Psi 139.0 +/- 11.0 )" 280 2 280 66 parsed_2h3k 1
60 "K197 (TALOS: Phi -124.0 +/- 15.0 , TALOS: Psi 130.0 +/- 14.0 )" 285 2 285 66 parsed_2h3k 1
61 "I198 (TALOS: Phi -113.0 +/- 15.0 , TALOS: Psi 145.0 +/- 13.0 )" 290 2 290 66 parsed_2h3k 1
62 "V199 (TALOS: Phi -140.0 +/- 29.0 , TALOS: Psi 157.0 +/- 14.0 )" 295 2 295 66 parsed_2h3k 1
63 "S200 (TALOS: Phi -125.0 +/- 25.0 , TALOS: Psi 145.0 +/- 11.0 )" 300 2 300 66 parsed_2h3k 1
64 "S201 (TALOS: Phi -122.0 +/- 22.0 , TALOS: Psi 141.0 +/- 17.0 )" 305 2 305 66 parsed_2h3k 1
65 "T202 (TALOS: Phi -127.0 +/- 16.0 , TALOS: Psi 147.0 +/- 17.0 )" 310 2 310 66 parsed_2h3k 1
66 "I204 (TALOS: Phi -105.0 +/- 20.0 , TALOS: Psi 2.0 +/- 18.0 )" 315 2 315 66 parsed_2h3k 1
67 "T210 (TALOS: Phi -98.0 +/- 26.0 , TALOS: Psi 127.0 +/- 14.0 )" 320 2 320 65 parsed_2h3k 1
68 "N211 (TALOS: Phi -93.0 +/- 26.0 , TALOS: Psi 132.0 +/- 10.0 )" 325 2 325 65 parsed_2h3k 1
69 "Y214 (TALOS: Phi -91.0 +/- 30.0 , TALOS: Psi 127.0 +/- 9.0 )" 330 2 330 65 parsed_2h3k 1
70 "T215 (TALOS: Phi -120.0 +/- 18.0 , TALOS: Psi 129.0 +/- 9.0 )" 335 2 335 66 parsed_2h3k 1
71 "L217 (TALOS: Phi -136.0 +/- 19.0 , TALOS: Psi 144.0 +/- 18.0 )" 340 2 340 66 parsed_2h3k 1
72 "V218 (TALOS: Phi -106.0 +/- 7.0 , TALOS: Psi 128.0 +/- 8.0 )" 345 2 345 66 parsed_2h3k 1
73 "these phi angles for bulky residues were set to negative values" 351 1 351 65 parsed_2h3k 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 end 371 1 371 3 parsed_2h3k 1
stop_
save_