NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
551404 |
2ln7   |
18152 | cing | 2-parsed | STAR | dihedral angle | 189 |
data_2ln7_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2ln7
_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_2ln7 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2ln7
_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 2ln7 "Master copy" parsed_2ln7
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2ln7
_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 2ln7.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2ln7 1
1 2ln7.mr . . XPLOR/CNS 2 distance NOE simple 2504 parsed_2ln7 1
1 2ln7.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 189 parsed_2ln7 1
1 2ln7.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2ln7 1
1 2ln7.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 0 parsed_2ln7 1
1 2ln7.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2ln7 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2ln7
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_2ln7 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 16.0 154.0 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2ln7 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.0 91.0 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_2ln7 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -185.0 -101.0 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2ln7 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 133.0 173.0 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_2ln7 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -113.0 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_2ln7 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 178.0 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_2ln7 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -178.0 -94.0 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_2ln7 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.0 158.0 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_2ln7 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.0 -85.0 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_2ln7 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97.0 163.0 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_2ln7 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.4 -53.2 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_2ln7 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 85.7 166.7 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_2ln7 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -30.0 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_2ln7 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.0 -2.0 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_2ln7 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -173.0 -35.0 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_2ln7 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 60.0 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_2ln7 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 37.0 77.0 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_2ln7 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11.0 83.0 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_2ln7 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -185.0 -41.0 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_2ln7 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.0 182.0 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_2ln7 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -209.4 -78.4 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_2ln7 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.3 182.7 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_2ln7 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -184.1 -96.9 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_2ln7 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.1 168.5 . . 28 . N . 28 . CA . 28 . C . 29 . N parsed_2ln7 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -192.0 0.0 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_2ln7 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.0 156.0 . . 29 . N . 29 . CA . 29 . C . 30 . N parsed_2ln7 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -176.4 -71.0 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_2ln7 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87.6 188.2 . . 30 . N . 30 . CA . 30 . C . 31 . N parsed_2ln7 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -188.3 -79.7 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_2ln7 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97.7 193.7 . . 31 . N . 31 . CA . 31 . C . 32 . N parsed_2ln7 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -211.2 -61.6 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_2ln7 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87.6 187.2 . . 32 . N . 32 . CA . 32 . C . 33 . N parsed_2ln7 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -220.0 -40.0 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_2ln7 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 79.0 229.0 . . 34 . N . 34 . CA . 34 . C . 35 . N parsed_2ln7 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -103.0 -43.0 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_2ln7 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 28.0 238.0 . . 35 . N . 35 . CA . 35 . C . 36 . N parsed_2ln7 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.4 -34.4 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_2ln7 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.4 4.6 . . 36 . N . 36 . CA . 36 . C . 37 . N parsed_2ln7 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.4 -44.4 . . 36 . C . 37 . N . 37 . CA . 37 . C parsed_2ln7 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.6 -8.6 . . 37 . N . 37 . CA . 37 . C . 38 . N parsed_2ln7 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.3 -34.1 . . 37 . C . 38 . N . 38 . CA . 38 . C parsed_2ln7 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.3 64.9 . . 42 . N . 42 . CA . 42 . C . 43 . N parsed_2ln7 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -183.0 -75.0 . . 42 . C . 43 . N . 43 . CA . 43 . C parsed_2ln7 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 93.0 165.0 . . 43 . N . 43 . CA . 43 . C . 44 . N parsed_2ln7 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -228.0 -30.0 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_2ln7 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 85.0 187.0 . . 44 . N . 44 . CA . 44 . C . 45 . N parsed_2ln7 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -4.0 . . 44 . C . 45 . N . 45 . CA . 45 . C parsed_2ln7 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 81.0 177.0 . . 45 . N . 45 . CA . 45 . C . 46 . N parsed_2ln7 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.0 -13.0 . . 45 . C . 46 . N . 46 . CA . 46 . C parsed_2ln7 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.0 159.0 . . 46 . N . 46 . CA . 46 . C . 47 . N parsed_2ln7 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -229.0 -1.0 . . 47 . C . 48 . N . 48 . CA . 48 . C parsed_2ln7 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 148.0 188.0 . . 48 . N . 48 . CA . 48 . C . 49 . N parsed_2ln7 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.8 -24.6 . . 48 . C . 49 . N . 49 . CA . 49 . C parsed_2ln7 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.3 15.5 . . 49 . N . 49 . CA . 49 . C . 50 . N parsed_2ln7 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.3 -84.9 . . 49 . C . 50 . N . 50 . CA . 50 . C parsed_2ln7 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.7 45.3 . . 50 . N . 50 . CA . 50 . C . 51 . N parsed_2ln7 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -203.3 -77.7 . . 50 . C . 51 . N . 51 . CA . 51 . C parsed_2ln7 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.9 185.3 . . 51 . N . 51 . CA . 51 . C . 52 . N parsed_2ln7 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -216.2 -9.8 . . 51 . C . 52 . N . 52 . CA . 52 . C parsed_2ln7 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 134.4 186.4 . . 52 . N . 52 . CA . 52 . C . 53 . N parsed_2ln7 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.0 -21.0 . . 52 . C . 53 . N . 53 . CA . 53 . C parsed_2ln7 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 64.0 244.0 . . 53 . N . 53 . CA . 53 . C . 54 . N parsed_2ln7 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.3 -21.3 . . 54 . C . 55 . N . 55 . CA . 55 . C parsed_2ln7 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.7 45.1 . . 55 . N . 55 . CA . 55 . C . 56 . N parsed_2ln7 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.2 -58.8 . . 58 . C . 59 . N . 59 . CA . 59 . C parsed_2ln7 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.5 169.3 . . 59 . N . 59 . CA . 59 . C . 60 . N parsed_2ln7 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -185.7 -46.9 . . 59 . C . 60 . N . 60 . CA . 60 . C parsed_2ln7 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.3 167.3 . . 60 . N . 60 . CA . 60 . C . 61 . N parsed_2ln7 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.1 -83.7 . . 60 . C . 61 . N . 61 . CA . 61 . C parsed_2ln7 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.4 181.2 . . 61 . N . 61 . CA . 61 . C . 62 . N parsed_2ln7 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.3 -81.5 . . 61 . C . 62 . N . 62 . CA . 62 . C parsed_2ln7 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.2 178.2 . . 62 . N . 62 . CA . 62 . C . 63 . N parsed_2ln7 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -177.0 -83.4 . . 62 . C . 63 . N . 63 . CA . 63 . C parsed_2ln7 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.4 183.0 . . 63 . N . 63 . CA . 63 . C . 64 . N parsed_2ln7 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.7 -41.7 . . 71 . C . 72 . N . 72 . CA . 72 . C parsed_2ln7 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.3 -23.3 . . 72 . N . 72 . CA . 72 . C . 73 . N parsed_2ln7 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.5 -43.5 . . 72 . C . 73 . N . 73 . CA . 73 . C parsed_2ln7 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.3 -13.3 . . 73 . N . 73 . CA . 73 . C . 74 . N parsed_2ln7 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.9 -36.9 . . 73 . C . 74 . N . 74 . CA . 74 . C parsed_2ln7 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.5 -10.5 . . 74 . N . 74 . CA . 74 . C . 75 . N parsed_2ln7 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.5 -24.1 . . 74 . C . 75 . N . 75 . CA . 75 . C parsed_2ln7 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.1 8.9 . . 75 . N . 75 . CA . 75 . C . 76 . N parsed_2ln7 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 75 . C . 76 . N . 76 . CA . 76 . C parsed_2ln7 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 120.0 . . 76 . N . 76 . CA . 76 . C . 77 . N parsed_2ln7 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -187.5 -37.3 . . 76 . C . 77 . N . 77 . CA . 77 . C parsed_2ln7 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.0 190.8 . . 77 . N . 77 . CA . 77 . C . 78 . N parsed_2ln7 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.3 -38.3 . . 77 . C . 78 . N . 78 . CA . 78 . C parsed_2ln7 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.5 -10.7 . . 78 . N . 78 . CA . 78 . C . 79 . N parsed_2ln7 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -39.0 . . 78 . C . 79 . N . 79 . CA . 79 . C parsed_2ln7 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.0 -18.0 . . 79 . N . 79 . CA . 79 . C . 80 . N parsed_2ln7 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -211.1 -79.7 . . 80 . C . 81 . N . 81 . CA . 81 . C parsed_2ln7 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.4 195.2 . . 81 . N . 81 . CA . 81 . C . 82 . N parsed_2ln7 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -203.2 -88.0 . . 81 . C . 82 . N . 82 . CA . 82 . C parsed_2ln7 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.0 174.6 . . 82 . N . 82 . CA . 82 . C . 83 . N parsed_2ln7 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -182.5 -93.3 . . 82 . C . 83 . N . 83 . CA . 83 . C parsed_2ln7 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.4 170.0 . . 83 . N . 83 . CA . 83 . C . 84 . N parsed_2ln7 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -189.1 -71.7 . . 83 . C . 84 . N . 84 . CA . 84 . C parsed_2ln7 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 93.7 175.9 . . 84 . N . 84 . CA . 84 . C . 85 . N parsed_2ln7 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166.9 -65.7 . . 84 . C . 85 . N . 85 . CA . 85 . C parsed_2ln7 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.4 168.0 . . 85 . N . 85 . CA . 85 . C . 86 . N parsed_2ln7 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.0 -104.6 . . 85 . C . 86 . N . 86 . CA . 86 . C parsed_2ln7 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97.7 151.3 . . 86 . N . 86 . CA . 86 . C . 87 . N parsed_2ln7 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 60.0 . . 87 . N . 87 . CA . 87 . C . 88 . CA parsed_2ln7 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -206.0 -50.0 . . 88 . C . 89 . N . 89 . CA . 89 . C parsed_2ln7 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.0 187.0 . . 89 . N . 89 . CA . 89 . C . 90 . N parsed_2ln7 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -176.3 -64.5 . . 89 . C . 90 . N . 90 . CA . 90 . C parsed_2ln7 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.1 165.9 . . 90 . N . 90 . CA . 90 . C . 91 . N parsed_2ln7 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -177.1 -69.9 . . 90 . C . 91 . N . 91 . CA . 91 . C parsed_2ln7 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 177.8 . . 91 . N . 91 . CA . 91 . C . 92 . N parsed_2ln7 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -183.8 -50.0 . . 91 . C . 92 . N . 92 . CA . 92 . C parsed_2ln7 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.1 172.5 . . 92 . N . 92 . CA . 92 . C . 93 . N parsed_2ln7 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -204.4 -72.2 . . 92 . C . 93 . N . 93 . CA . 93 . C parsed_2ln7 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 199.2 . . 93 . N . 93 . CA . 93 . C . 94 . N parsed_2ln7 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.6 -103.2 . . 93 . C . 94 . N . 94 . CA . 94 . C parsed_2ln7 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 76.0 189.2 . . 94 . N . 94 . CA . 94 . C . 95 . N parsed_2ln7 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.6 -19.4 . . 94 . C . 95 . N . 95 . CA . 95 . C parsed_2ln7 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.6 158.0 . . 95 . N . 95 . CA . 95 . C . 96 . N parsed_2ln7 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -174.0 -120.0 . . 96 . C . 97 . N . 97 . CA . 97 . C parsed_2ln7 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.0 161.0 . . 97 . N . 97 . CA . 97 . C . 98 . N parsed_2ln7 1
121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -174.1 -64.1 . . 97 . C . 98 . N . 98 . CA . 98 . C parsed_2ln7 1
122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.8 178.6 . . 98 . N . 98 . CA . 98 . C . 99 . N parsed_2ln7 1
123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -187.3 -84.9 . . 98 . C . 99 . N . 99 . CA . 99 . C parsed_2ln7 1
124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 92.0 211.4 . . 99 . N . 99 . CA . 99 . C . 100 . N parsed_2ln7 1
125 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -203.0 -11.0 . . 99 . C . 100 . N . 100 . CA . 100 . C parsed_2ln7 1
126 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.0 173.0 . . 100 . N . 100 . CA . 100 . C . 101 . N parsed_2ln7 1
127 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -197.3 -54.5 . . 100 . C . 101 . N . 101 . CA . 101 . C parsed_2ln7 1
128 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.1 197.5 . . 101 . N . 101 . CA . 101 . C . 102 . N parsed_2ln7 1
129 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.6 -25.2 . . 101 . C . 102 . N . 102 . CA . 102 . C parsed_2ln7 1
130 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 93.6 206.6 . . 102 . N . 102 . CA . 102 . C . 103 . N parsed_2ln7 1
131 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.1 -38.9 . . 102 . C . 103 . N . 103 . CA . 103 . C parsed_2ln7 1
132 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.3 8.1 . . 103 . N . 103 . CA . 103 . C . 104 . N parsed_2ln7 1
133 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.6 -23.8 . . 103 . C . 104 . N . 104 . CA . 104 . C parsed_2ln7 1
134 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.0 38.2 . . 104 . N . 104 . CA . 104 . C . 105 . N parsed_2ln7 1
135 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.4 -36.6 . . 104 . C . 105 . N . 105 . CA . 105 . C parsed_2ln7 1
136 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 36.8 207.8 . . 105 . N . 105 . CA . 105 . C . 106 . N parsed_2ln7 1
137 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -116.0 -32.0 . . 105 . C . 106 . N . 106 . CA . 106 . C parsed_2ln7 1
138 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 18.0 . . 106 . N . 106 . CA . 106 . C . 107 . N parsed_2ln7 1
139 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.5 -9.5 . . 107 . C . 108 . N . 108 . CA . 108 . C parsed_2ln7 1
140 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.4 -2.0 . . 108 . N . 108 . CA . 108 . C . 109 . N parsed_2ln7 1
141 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 109 . C . 110 . N . 110 . CA . 110 . C parsed_2ln7 1
142 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -187.0 -7.0 . . 110 . C . 111 . N . 111 . CA . 111 . C parsed_2ln7 1
143 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.0 176.0 . . 111 . N . 111 . CA . 111 . C . 112 . N parsed_2ln7 1
144 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -197.2 -77.8 . . 111 . C . 112 . N . 112 . CA . 112 . C parsed_2ln7 1
145 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.8 193.4 . . 112 . N . 112 . CA . 112 . C . 113 . N parsed_2ln7 1
146 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.9 -87.3 . . 113 . C . 114 . N . 114 . CA . 114 . C parsed_2ln7 1
147 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 43.8 207.2 . . 114 . N . 114 . CA . 114 . C . 115 . N parsed_2ln7 1
148 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.2 -93.0 . . 115 . C . 116 . N . 116 . CA . 116 . C parsed_2ln7 1
149 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87.4 189.6 . . 116 . N . 116 . CA . 116 . C . 117 . N parsed_2ln7 1
150 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -173.1 -66.7 . . 116 . C . 117 . N . 117 . CA . 117 . C parsed_2ln7 1
151 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.0 147.0 . . 117 . N . 117 . CA . 117 . C . 118 . N parsed_2ln7 1
152 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.7 -82.9 . . 117 . C . 118 . N . 118 . CA . 118 . C parsed_2ln7 1
153 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97.8 154.4 . . 118 . N . 118 . CA . 118 . C . 119 . N parsed_2ln7 1
154 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.7 -78.1 . . 118 . C . 119 . N . 119 . CA . 119 . C parsed_2ln7 1
155 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.4 158.0 . . 119 . N . 119 . CA . 119 . C . 120 . N parsed_2ln7 1
156 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -174.4 -68.8 . . 119 . C . 120 . N . 120 . CA . 120 . C parsed_2ln7 1
157 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.3 177.3 . . 120 . N . 120 . CA . 120 . C . 121 . N parsed_2ln7 1
158 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -182.6 -87.2 . . 120 . C . 121 . N . 121 . CA . 121 . C parsed_2ln7 1
159 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 84.8 196.2 . . 121 . N . 121 . CA . 121 . C . 122 . N parsed_2ln7 1
160 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -123.0 -15.0 . . 124 . C . 125 . N . 125 . CA . 125 . C parsed_2ln7 1
161 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.0 19.0 . . 125 . N . 125 . CA . 125 . C . 126 . N parsed_2ln7 1
162 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.0 -35.0 . . 125 . C . 126 . N . 126 . CA . 126 . C parsed_2ln7 1
163 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 49.0 . . 126 . N . 126 . CA . 126 . C . 127 . N parsed_2ln7 1
164 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -122.0 -38.0 . . 126 . C . 127 . N . 127 . CA . 127 . C parsed_2ln7 1
165 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.0 176.0 . . 128 . N . 128 . CA . 128 . C . 129 . N parsed_2ln7 1
166 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.3 -16.3 . . 129 . C . 130 . N . 130 . CA . 130 . C parsed_2ln7 1
167 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97.7 167.3 . . 130 . N . 130 . CA . 130 . C . 131 . N parsed_2ln7 1
168 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -217.0 -55.0 . . 132 . C . 133 . N . 133 . CA . 133 . C parsed_2ln7 1
169 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.0 181.0 . . 133 . N . 133 . CA . 133 . C . 134 . N parsed_2ln7 1
170 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -183.0 -99.0 . . 133 . C . 134 . N . 134 . CA . 134 . C parsed_2ln7 1
171 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.0 170.0 . . 134 . N . 134 . CA . 134 . C . 135 . N parsed_2ln7 1
172 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -189.8 -31.2 . . 134 . C . 135 . N . 135 . CA . 135 . C parsed_2ln7 1
173 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87.9 158.7 . . 135 . N . 135 . CA . 135 . C . 136 . N parsed_2ln7 1
174 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.8 -34.0 . . 135 . C . 136 . N . 136 . CA . 136 . C parsed_2ln7 1
175 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.7 148.9 . . 136 . N . 136 . CA . 136 . C . 137 . N parsed_2ln7 1
176 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -197.4 -59.0 . . 136 . C . 137 . N . 137 . CA . 137 . C parsed_2ln7 1
177 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.5 170.7 . . 137 . N . 137 . CA . 137 . C . 138 . N parsed_2ln7 1
178 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -182.9 -72.1 . . 137 . C . 138 . N . 138 . CA . 138 . C parsed_2ln7 1
179 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.7 180.1 . . 138 . N . 138 . CA . 138 . C . 139 . N parsed_2ln7 1
180 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -185.2 -87.8 . . 138 . C . 139 . N . 139 . CA . 139 . C parsed_2ln7 1
181 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 92.8 199.2 . . 139 . N . 139 . CA . 139 . C . 140 . N parsed_2ln7 1
182 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -186.6 -70.2 . . 139 . C . 140 . N . 140 . CA . 140 . C parsed_2ln7 1
183 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.6 174.4 . . 140 . N . 140 . CA . 140 . C . 141 . N parsed_2ln7 1
184 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.0 -41.0 . . 140 . C . 141 . N . 141 . CA . 141 . C parsed_2ln7 1
185 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.0 156.0 . . 141 . N . 141 . CA . 141 . C . 142 . N parsed_2ln7 1
186 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -182.0 -80.0 . . 143 . C . 144 . N . 144 . CA . 144 . C parsed_2ln7 1
187 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.0 192.0 . . 144 . N . 144 . CA . 144 . C . 145 . N parsed_2ln7 1
188 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -199.6 -64.0 . . 144 . C . 145 . N . 145 . CA . 145 . C parsed_2ln7 1
189 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 74.2 176.6 . . 145 . N . 145 . CA . 145 . C . 146 . N parsed_2ln7 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
;
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.
E9 (TALOS: Phi -92.0 +/- 26.0 , TALOS: Psi 139.0 +/- 12.0 )
assign (resid 8 and name C) (resid 9 and name N)
(resid 9 and name CA) (resid 9 and name C) 1.0 -92.0 78.0 2
assign (resid 9 and name N) (resid 9 and name CA)
(resid 9 and name C) (resid 10 and name N) 1.0 139.0 36.0 2
H10 (TALOS: Phi -93.0 +/- 16.0 , TALOS: Psi 141.0 +/- 16.0 )
assign (resid 9 and name C) (resid 10 and name N)
(resid 10 and name CA) (resid 10 and name C) 1.0 -93.0 48.0 2
assign (resid 10 and name N) (resid 10 and name CA)
(resid 10 and name C) (resid 11 and name N) 1.0 141.0 48.0 2
K11 (TALOS: Phi -90.0 +/- 30.0 , TALOS: Psi 145.0 +/- 20.0 )
assign (resid 10 and name C) (resid 11 and name N)
(resid 11 and name CA) (resid 11 and name C) 1.0 -90.0 90.0 2
assign (resid 11 and name N) (resid 11 and name CA)
(resid 11 and name C) (resid 12 and name N) 1.0 145.0 60.0 2
K12 keeping phi of 12 into better rama space
;
1 1 26 46 parsed_2ln7 1
2 "G13 (TALOS: Phi 85.0 +/- 23.0 , TALOS: Psi 1.0 +/- 30.0 )" 29 1 29 63 parsed_2ln7 1
3 "V16 (TALOS: Phi -143.0 +/- 14.0 , TALOS: Psi 152.0 +/- 13.0 )" 34 1 34 64 parsed_2ln7 1
4
;
assign (resid 16 and name N) (resid 16 and name CA)
(resid 16 and name C) (resid 17 and name N) 1.0 152.0 39.0 2
A17 (TALOS: Phi -150.0 +/- 10.0 , TALOS: Psi 153.0 +/- 5.0 )
assign (resid 16 and name C) (resid 17 and name N)
(resid 17 and name CA) (resid 17 and name C) 1.0 -150.0 30.0 2
;
37 1 41 78 parsed_2ln7 1
5 "M18 (TALOS: Phi -146.0 +/- 11.0 , TALOS: Psi 139.0 +/- 13.0 )" 44 1 44 64 parsed_2ln7 1
6 "L19 (TALOS: Phi -136.0 +/- 14.0 , TALOS: Psi 134.0 +/- 8.0 )" 49 1 49 64 parsed_2ln7 1
7 "N20 (TALOS: Phi -115.0 +/- 10.0 , TALOS: Psi 130.0 +/- 11.0 )" 54 1 54 64 parsed_2ln7 1
8 "I21 (TALOS: Phi -116.8 +/- 21.2 , TALOS: Psi 126.2 +/- 13.5 )" 59 1 59 64 parsed_2ln7 1
9 "K23 (TALOS: Phi -90.0 +/- 20.0 , TALOS: Psi -38.0 +/- 12.0 )" 64 1 64 63 parsed_2ln7 1
10 "L24 (TALOS: Phi -104.0 +/- 23.0 , TALOS: Psi -15.0 +/- 25.0 )" 69 1 69 64 parsed_2ln7 1
11 "K25 (TALOS: Phi 57.0 +/- 4.0 , TALOS: Psi 47.0 +/- 12.0 )" 74 1 74 63 parsed_2ln7 1
12 "K26 (TALOS: Phi -113.0 +/- 24.0 , TALOS: Psi 149.0 +/- 11.0 )" 79 1 79 64 parsed_2ln7 1
13 "K27 (TALOS: Phi -143.9 +/- 21.8 , TALOS: Psi 152.0 +/- 10.2 )" 84 1 84 64 parsed_2ln7 1
14 "F28 (TALOS: Phi -140.5 +/- 14.5 , TALOS: Psi 134.3 +/- 11.4 )" 89 1 89 64 parsed_2ln7 1
15 "S29 (TALOS: Phi -96.0 +/- 32.0 , TALOS: Psi 135.0 +/- 7.0 )" 94 1 94 63 parsed_2ln7 1
16 "I30 (TALOS: Phi -123.7 +/- 17.6 , TALOS: Psi 137.9 +/- 16.8 )" 99 1 99 64 parsed_2ln7 1
17 "Y31 (TALOS: Phi -134.0 +/- 18.1 , TALOS: Psi 145.7 +/- 16.0 )" 104 1 104 64 parsed_2ln7 1
18 "W32 (TALOS: Phi -136.4 +/- 24.9 , TALOS: Psi 137.4 +/- 16.6 )" 109 1 109 64 parsed_2ln7 1
19 "A34 (TALOS: Phi -130.0 +/- 30.0 , TALOS: Psi 154.0 +/- 17.0 )" 114 1 114 64 parsed_2ln7 1
20
;
widened to avoid violaton
D35 (TALOS: Phi -73.0 +/- 10.0 , TALOS: Psi 133.0 +/- 35.0 )
;
118 77 119 63 parsed_2ln7 1
21 "D36 (TALOS: Phi -61.9 +/- 9.2 , TALOS: Psi -40.4 +/- 8.5 )" 124 1 124 63 parsed_2ln7 1
22
;
widened to avoid violation
A37 (TALOS: Phi -64.4 +/- 5.4 , TALOS: Psi -38.6 +/- 6.6 )
;
128 77 129 63 parsed_2ln7 1
23
;
widened to avoid violation
T38 (TALOS: Phi -71.7 +/- 12.5 , TALOS: Psi -45.6 +/- 3.6 )
;
133 77 134 63 parsed_2ln7 1
24
;
G42 (TALOS: Phi 81.9 +/- 11.3 , TALOS: Psi 5.3 +/- 19.9 )
assign (resid 41 and name C) (resid 42 and name N)
(resid 42 and name CA) (resid 42 and name C) 1.0 81.9 34.0 2 ! not to be trusted
;
137 1 139 97 parsed_2ln7 1
25 "V43 (TALOS: Phi -129.0 +/- 18.0 , TALOS: Psi 129.0 +/- 12.0 )" 142 1 142 64 parsed_2ln7 1
26 "G44 (TALOS: Phi -129.0 +/- 33.0 , TALOS: Psi 136.0 +/- 17.0 )" 147 1 147 64 parsed_2ln7 1
27 "M45 (TALOS: Phi -97.0 +/- 31.0 , TALOS: Psi 129.0 +/- 16.0 )" 152 1 152 63 parsed_2ln7 1
28 "F46 (TALOS: Phi -85.0 +/- 24.0 , TALOS: Psi 129.0 +/- 10.0 )" 157 1 157 63 parsed_2ln7 1
29 "S48 (TALOS: Phi -115.0 +/- 38.0 , TALOS: Psi 168.0 +/- 19.0 )" 162 1 162 64 parsed_2ln7 1
30
;
manually reduced to +/- 20
D49 (TALOS: Phi -78.7 +/- 18.0 , TALOS: Psi -24.4 +/- 13.3 )
;
166 77 167 63 parsed_2ln7 1
31 "V50 (TALOS: Phi -117.1 +/- 10.7 , TALOS: Psi 2.3 +/- 14.3 )" 172 1 172 64 parsed_2ln7 1
32 "T51 (TALOS: Phi -140.5 +/- 20.9 , TALOS: Psi 151.1 +/- 11.4 )" 177 1 177 64 parsed_2ln7 1
33 "T52 (TALOS: Phi -113.0 +/- 34.4 , TALOS: Psi 160.4 +/- 14.5 )" 182 1 182 64 parsed_2ln7 1
34
;
manually reduced to +/- 26
T53 (TALOS: Phi -87.0 +/- 22.0 , TALOS: Psi 154.0 +/- 30.0 )
;
186 75 187 63 parsed_2ln7 1
35 "S55 (TALOS: Phi -86.8 +/- 21.8 , TALOS: Psi -23.3 +/- 22.8 )" 192 1 192 63 parsed_2ln7 1
36 "H59 (TALOS: Phi -103.5 +/- 14.9 , TALOS: Psi 129.4 +/- 13.3 )" 197 1 197 64 parsed_2ln7 1
37 "T60 (TALOS: Phi -116.3 +/- 23.1 , TALOS: Psi 133.3 +/- 11.3 )" 202 1 202 64 parsed_2ln7 1
38 "V61 (TALOS: Phi -121.9 +/- 12.7 , TALOS: Psi 135.8 +/- 15.1 )" 207 1 207 64 parsed_2ln7 1
39 "L62 (TALOS: Phi -120.4 +/- 13.0 , TALOS: Psi 138.7 +/- 13.2 )" 212 1 212 64 parsed_2ln7 1
40 "S63 (TALOS: Phi -130.2 +/- 15.6 , TALOS: Psi 145.7 +/- 12.4 )" 217 1 217 64 parsed_2ln7 1
41 "D72 (TALOS: Phi -61.7 +/- 6.3 , TALOS: Psi -43.3 +/- 6.5 )" 222 1 222 63 parsed_2ln7 1
42 "L73 (TALOS: Phi -63.5 +/- 3.6 , TALOS: Psi -43.3 +/- 6.5 )" 227 1 227 63 parsed_2ln7 1
43
;
manually widened to +/- 30
G74 (TALOS: Phi -64.9 +/- 9.3 , TALOS: Psi -37.5 +/- 9.0 )
;
231 77 232 63 parsed_2ln7 1
44 "Q75 (TALOS: Phi -83.8 +/- 19.9 , TALOS: Psi -29.6 +/- 12.8 )" 237 1 237 63 parsed_2ln7 1
45 "76 (this is artificial - trying to put phi of 76 into good space" 242 1 242 66 parsed_2ln7 1
46 "K77 (TALOS: Phi -112.4 +/- 25.0 , TALOS: Psi 156.4 +/- 11.5 )" 247 1 247 64 parsed_2ln7 1
47 "E78 (TALOS: Phi -58.3 +/- 4.0 , TALOS: Psi -41.1 +/- 10.1 )" 252 1 252 63 parsed_2ln7 1
48 "K79 (TALOS: Phi -63.0 +/- 8.0 , TALOS: Psi -38.0 +/- 6.0 )" 257 1 257 63 parsed_2ln7 1
49 "T81 (TALOS: Phi -145.4 +/- 21.9 , TALOS: Psi 151.3 +/- 14.6 )" 262 1 262 64 parsed_2ln7 1
50 "L82 (TALOS: Phi -145.6 +/- 19.2 , TALOS: Psi 140.3 +/- 11.4 )" 267 1 267 64 parsed_2ln7 1
51 "V83 (TALOS: Phi -137.9 +/- 14.9 , TALOS: Psi 135.7 +/- 11.4 )" 272 1 272 64 parsed_2ln7 1
52 "L84 (TALOS: Phi -130.4 +/- 19.6 , TALOS: Psi 134.8 +/- 13.7 )" 277 1 277 64 parsed_2ln7 1
53 "E85 (TALOS: Phi -116.3 +/- 16.9 , TALOS: Psi 132.2 +/- 11.9 )" 282 1 282 64 parsed_2ln7 1
54 "Y86 (TALOS: Phi -134.3 +/- 9.9 , TALOS: Psi 124.5 +/- 8.9 )" 287 1 287 64 parsed_2ln7 1
55 "Y87 - this one is manual and forces 87 to be in left hand helical space" 292 1 292 73 parsed_2ln7 1
56 "K89 (TALOS: Phi -128.0 +/- 26.0 , TALOS: Psi 148.0 +/- 13.0 )" 295 1 295 64 parsed_2ln7 1
57 "T90 (TALOS: Phi -120.4 +/- 18.6 , TALOS: Psi 127.5 +/- 12.8 )" 300 1 300 64 parsed_2ln7 1
58 "Y91 (TALOS: Phi -123.5 +/- 17.9 , TALOS: Psi 136.4 +/- 13.8 )" 305 1 305 64 parsed_2ln7 1
59 "T92 (TALOS: Phi -116.9 +/- 22.3 , TALOS: Psi 139.3 +/- 11.1 )" 310 1 310 64 parsed_2ln7 1
60 "Y93 (TALOS: Phi -138.3 +/- 22.0 , TALOS: Psi 149.6 +/- 16.5 )" 315 1 315 64 parsed_2ln7 1
61 "E94 (TALOS: Phi -134.4 +/- 10.4 , TALOS: Psi 132.6 +/- 18.9 )" 320 1 320 64 parsed_2ln7 1
62 "I95 (TALOS: Phi -70.0 +/- 16.9 , TALOS: Psi 131.8 +/- 8.7 )" 325 1 325 63 parsed_2ln7 1
63 "K97 (TALOS: Phi -147.0 +/- 9.0 , TALOS: Psi 141.0 +/- 6.0 )" 330 1 330 64 parsed_2ln7 1
64 "I98 (TALOS: Phi -119.1 +/- 18.3 , TALOS: Psi 139.7 +/- 13.0 )" 335 1 335 64 parsed_2ln7 1
65 "W99 (TALOS: Phi -136.1 +/- 17.1 , TALOS: Psi 151.7 +/- 19.9 )" 340 1 340 64 parsed_2ln7 1
66 "I100 (TALOS: Phi -107.0 +/- 32.0 , TALOS: Psi 131.0 +/- 14.0 )" 345 1 345 65 parsed_2ln7 1
67 "T101 (TALOS: Phi -125.9 +/- 23.8 , TALOS: Psi 151.3 +/- 15.4 )" 350 1 350 65 parsed_2ln7 1
68 "H102 (TALOS: Phi -84.9 +/- 19.9 , TALOS: Psi 150.1 +/- 18.8 )" 355 1 355 64 parsed_2ln7 1
69 "A103 (TALOS: Phi -63.5 +/- 8.2 , TALOS: Psi -25.6 +/- 11.2 )" 360 1 360 64 parsed_2ln7 1
70 "D104 (TALOS: Phi -80.2 +/- 18.8 , TALOS: Psi -30.4 +/- 22.9 )" 365 1 365 64 parsed_2ln7 1
71 "D105 (TALOS: Phi -73.0 +/- 12.1 , TALOS: Psi 122.3 +/- 28.5 )" 370 1 370 64 parsed_2ln7 1
72 "R106 (TALOS: Phi -74.0 +/- 14.0 , TALOS: Psi -36.0 +/- 18.0 )" 375 1 375 64 parsed_2ln7 1
73 "V108 (TALOS: Phi -69.5 +/- 12.8 , TALOS: Psi -41.2 +/- 13.1 )" 380 1 380 64 parsed_2ln7 1
74 "widened to avoid violaton" 382 77 382 104 parsed_2ln7 1
75 "110 (this is artificial - trying to put phi of 110 into good space" 385 1 385 68 parsed_2ln7 1
76 "K111 (TALOS: Phi -97.0 +/- 30.0 , TALOS: Psi 137.0 +/- 13.0 )" 388 1 388 64 parsed_2ln7 1
77 "K112 (TALOS: Phi -137.5 +/- 19.9 , TALOS: Psi 152.1 +/- 13.8 )" 393 1 393 65 parsed_2ln7 1
78 "E114 (TALOS: Phi -134.1 +/- 15.6 , TALOS: Psi 125.5 +/- 27.2 )" 398 1 398 65 parsed_2ln7 1
79 "I116 (TALOS: Phi -122.1 +/- 9.7 , TALOS: Psi 138.5 +/- 17.0 )" 403 1 403 65 parsed_2ln7 1
80 "L117 (TALOS: Phi -119.9 +/- 17.7 , TALOS: Psi 127.0 +/- 6.5 )" 408 1 408 65 parsed_2ln7 1
81 "T118 (TALOS: Phi -114.8 +/- 10.6 , TALOS: Psi 126.1 +/- 9.4 )" 413 1 413 65 parsed_2ln7 1
82 "L119 (TALOS: Phi -121.9 +/- 14.6 , TALOS: Psi 133.2 +/- 8.3 )" 418 1 418 65 parsed_2ln7 1
83 "T120 (TALOS: Phi -121.6 +/- 17.6 , TALOS: Psi 143.3 +/- 11.3 )" 423 1 423 65 parsed_2ln7 1
84 "T121 (TALOS: Phi -134.9 +/- 15.9 , TALOS: Psi 140.5 +/- 18.6 )" 428 1 428 65 parsed_2ln7 1
85
;
make C122 beta sheet
assign (resid 121 and name C) (resid 122 and name N)
(resid 122 and name CA) (resid 122 and name C) 1.0 -110.0 70.0 2 ! make C122 beta sheet
assign (resid 122 and name N) (resid 122 and name CA)
(resid 122 and name C) (resid 123 and name N) 1.0 120.0 60.0 2 ! make C122 beta sheet
F125 (TALOS: Phi -69.0 +/- 18.0 , TALOS: Psi -32.0 +/- 17.0 )
;
433 1 438 64 parsed_2ln7 1
86 "D126 (TALOS: Phi -89.0 +/- 18.0 , TALOS: Psi -14.0 +/- 21.0 )" 443 1 443 64 parsed_2ln7 1
87 "Y127 (TALOS: Phi -80.0 +/- 14.0 , TALOS: Psi 134.0 +/- 12.0 )" 448 1 448 64 parsed_2ln7 1
88
;
assign (resid 127 and name N) (resid 127 and name CA)
(resid 127 and name C) (resid 128 and name N) 1.0 134.0 36.0 2
I128 (TALOS: Phi -107.0 +/- 25.0 , TALOS: Psi 128.0 +/- 16.0 )
assign (resid 127 and name C) (resid 128 and name N)
(resid 128 and name CA) (resid 128 and name C) 1.0 -107.0 75.0 2
;
451 1 455 78 parsed_2ln7 1
89 "D130 (TALOS: Phi -81.3 +/- 21.7 , TALOS: Psi 132.5 +/- 11.6 )" 458 1 458 64 parsed_2ln7 1
90 "D133 (TALOS: Phi -136.0 +/- 27.0 , TALOS: Psi 148.0 +/- 11.0 )" 463 1 463 65 parsed_2ln7 1
91 "R134 (TALOS: Phi -141.0 +/- 14.0 , TALOS: Psi 137.0 +/- 11.0 )" 468 1 468 65 parsed_2ln7 1
92 "Y135 (TALOS: Phi -110.5 +/- 26.4 , TALOS: Psi 123.3 +/- 11.8 )" 473 1 473 65 parsed_2ln7 1
93 "I136 (TALOS: Phi -92.9 +/- 19.6 , TALOS: Psi 126.3 +/- 7.5 )" 478 1 478 64 parsed_2ln7 1
94 "I137 (TALOS: Phi -128.2 +/- 23.1 , TALOS: Psi 139.1 +/- 10.5 )" 483 1 483 65 parsed_2ln7 1
95 "E138 (TALOS: Phi -127.5 +/- 18.5 , TALOS: Psi 134.9 +/- 15.1 )" 488 1 488 65 parsed_2ln7 1
96 "A139 (TALOS: Phi -136.5 +/- 16.2 , TALOS: Psi 146.0 +/- 17.7 )" 493 1 493 65 parsed_2ln7 1
97 "K140 (TALOS: Phi -128.4 +/- 19.4 , TALOS: Psi 138.0 +/- 12.1 )" 498 1 498 65 parsed_2ln7 1
98 "L141 (TALOS: Phi -74.0 +/- 11.0 , TALOS: Psi 136.0 +/- 5.0 )" 503 1 503 64 parsed_2ln7 1
99 "S144 (TALOS: Phi -131.0 +/- 17.0 , TALOS: Psi 144.0 +/- 16.0 )" 508 1 508 65 parsed_2ln7 1
100 "Y145 (TALOS: Phi -131.8 +/- 22.6 , TALOS: Psi 125.4 +/- 17.1 )" 513 1 513 65 parsed_2ln7 1
stop_
save_
Contact the webmaster for help, if required. Thursday, May 16, 2024 7:29:52 AM GMT (wattos1)