NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
51450 |
2k78   |
15913 | cing | 2-parsed | STAR | dihedral angle | 208 |
data_2k78_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2k78
_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_2k78 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2k78
_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 2k78 "Master copy" parsed_2k78
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2k78
_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 2k78.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2k78 1
1 2k78.mr . . XPLOR/CNS 2 distance NOE ambi 1533 parsed_2k78 1
1 2k78.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 208 parsed_2k78 1
1 2k78.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 parsed_2k78 1
1 2k78.mr . . XPLOR/CNS 5 distance NOE simple 0 parsed_2k78 1
1 2k78.mr . . XPLOR/CNS 6 "coupling constant" "Not applicable" "Not applicable" 0 parsed_2k78 1
1 2k78.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2k78 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2k78
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -189.0 -93.0 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_2k78 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.0 203.0 . . 28 . N . 28 . CA . 28 . C . 29 . N parsed_2k78 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -171.0 -81.0 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_2k78 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 93.0 189.0 . . 30 . N . 30 . CA . 30 . C . 31 . N parsed_2k78 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -174.0 -72.0 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_2k78 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.0 158.0 . . 31 . N . 31 . CA . 31 . C . 32 . N parsed_2k78 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -46.0 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_2k78 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.0 159.0 . . 32 . N . 32 . CA . 32 . C . 33 . N parsed_2k78 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -199.0 -79.0 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_2k78 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 192.0 . . 33 . N . 33 . CA . 33 . C . 34 . N parsed_2k78 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168.0 -114.0 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_2k78 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.0 194.0 . . 34 . N . 34 . CA . 34 . C . 35 . N parsed_2k78 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -196.4 -38.8 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_2k78 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 61.6 192.4 . . 35 . N . 35 . CA . 35 . C . 36 . N parsed_2k78 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.0 -60.4 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_2k78 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 63.8 195.4 . . 36 . N . 36 . CA . 36 . C . 37 . N parsed_2k78 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -123.7 -52.7 . . 36 . C . 37 . N . 37 . CA . 37 . C parsed_2k78 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 69.6 179.2 . . 37 . N . 37 . CA . 37 . C . 38 . N parsed_2k78 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 38 . C . 39 . N . 39 . CA . 39 . C parsed_2k78 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -193.0 -61.0 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_2k78 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.0 220.0 . . 40 . N . 40 . CA . 40 . C . 41 . N parsed_2k78 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . . 42 . N . 42 . CA . 42 . C . 43 . N parsed_2k78 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.0 -42.0 . . 42 . C . 43 . N . 43 . CA . 43 . C parsed_2k78 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.0 159.0 . . 43 . N . 43 . CA . 43 . C . 44 . N parsed_2k78 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.0 -69.0 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_2k78 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -15.0 45.0 . . 44 . N . 44 . CA . 44 . C . 45 . N parsed_2k78 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 -45.0 . . 44 . C . 45 . N . 45 . CA . 45 . C parsed_2k78 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.5 -45.5 . . 45 . C . 46 . N . 46 . CA . 46 . C parsed_2k78 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.7 18.3 . . 46 . N . 46 . CA . 46 . C . 47 . N parsed_2k78 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -111.9 -23.9 . . 46 . C . 47 . N . 47 . CA . 47 . C parsed_2k78 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.3 -9.3 . . 47 . N . 47 . CA . 47 . C . 48 . N parsed_2k78 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.1 -41.3 . . 47 . C . 48 . N . 48 . CA . 48 . C parsed_2k78 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.5 14.9 . . 48 . N . 48 . CA . 48 . C . 49 . N parsed_2k78 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -220 -20 . . 48 . C . 49 . N . 49 . CA . 49 . C parsed_2k78 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.0 -48.0 . . 49 . C . 50 . N . 50 . CA . 50 . C parsed_2k78 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 68.0 176.0 . . 50 . N . 50 . CA . 50 . C . 51 . N parsed_2k78 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.4 -27.2 . . 50 . C . 51 . N . 51 . CA . 51 . C parsed_2k78 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.0 182.0 . . 51 . N . 51 . CA . 51 . C . 52 . N parsed_2k78 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -188.7 -16.9 . . 51 . C . 52 . N . 52 . CA . 52 . C parsed_2k78 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 200.0 . . 52 . N . 52 . CA . 52 . C . 53 . N parsed_2k78 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -174.0 24.0 . . 52 . C . 53 . N . 53 . CA . 53 . C parsed_2k78 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.0 184.0 . . 53 . N . 53 . CA . 53 . C . 54 . N parsed_2k78 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.2 -73.8 . . 53 . C . 54 . N . 54 . CA . 54 . C parsed_2k78 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.9 187.7 . . 54 . N . 54 . CA . 54 . C . 55 . N parsed_2k78 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -181.3 -91.5 . . 55 . C . 56 . N . 56 . CA . 56 . C parsed_2k78 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.8 177.0 . . 56 . N . 56 . CA . 56 . C . 57 . N parsed_2k78 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -178.6 -88.6 . . 56 . C . 57 . N . 57 . CA . 57 . C parsed_2k78 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.9 166.7 . . 57 . N . 57 . CA . 57 . C . 58 . N parsed_2k78 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -177.8 -59.2 . . 57 . C . 58 . N . 58 . CA . 58 . C parsed_2k78 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 93.1 173.5 . . 58 . N . 58 . CA . 58 . C . 59 . N parsed_2k78 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -229.8 -40.0 . . 58 . C . 59 . N . 59 . CA . 59 . C parsed_2k78 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 62.6 192.0 . . 59 . N . 59 . CA . 59 . C . 60 . N parsed_2k78 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . . 59 . C . 60 . N . 60 . CA . 60 . C parsed_2k78 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 60 . C . 61 . N . 61 . CA . 61 . C parsed_2k78 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -173.0 -59.0 . . 61 . C . 62 . N . 62 . CA . 62 . C parsed_2k78 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.0 221.0 . . 62 . N . 62 . CA . 62 . C . 63 . N parsed_2k78 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -181.9 -41.7 . . 62 . C . 63 . N . 63 . CA . 63 . C parsed_2k78 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.4 175.8 . . 63 . N . 63 . CA . 63 . C . 64 . N parsed_2k78 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.0 -81.2 . . 63 . C . 64 . N . 64 . CA . 64 . C parsed_2k78 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.1 209.7 . . 64 . N . 64 . CA . 64 . C . 65 . N parsed_2k78 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.9 -101.7 . . 64 . C . 65 . N . 65 . CA . 65 . C parsed_2k78 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.2 190.0 . . 65 . N . 65 . CA . 65 . C . 66 . N parsed_2k78 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.3 -83.3 . . 65 . C . 66 . N . 66 . CA . 66 . C parsed_2k78 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 88.3 183.3 . . 66 . N . 66 . CA . 66 . C . 67 . N parsed_2k78 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.4 -43.8 . . 66 . C . 67 . N . 67 . CA . 67 . C parsed_2k78 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.5 148.3 . . 67 . N . 67 . CA . 67 . C . 68 . N parsed_2k78 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.1 -83.7 . . 67 . C . 68 . N . 68 . CA . 68 . C parsed_2k78 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.5 159.1 . . 68 . N . 68 . CA . 68 . C . 69 . N parsed_2k78 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -176.5 -78.3 . . 68 . C . 69 . N . 69 . CA . 69 . C parsed_2k78 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.9 183.3 . . 69 . N . 69 . CA . 69 . C . 70 . N parsed_2k78 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -214.7 -43.9 . . 69 . C . 70 . N . 70 . CA . 70 . C parsed_2k78 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.0 179.2 . . 70 . N . 70 . CA . 70 . C . 71 . N parsed_2k78 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 95.0 . . 70 . C . 71 . N . 71 . CA . 71 . C parsed_2k78 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.0 -32.0 . . 71 . C . 72 . N . 72 . CA . 72 . C parsed_2k78 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.3 -3.9 . . 72 . N . 72 . CA . 72 . C . 73 . N parsed_2k78 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 72 . C . 73 . N . 73 . CA . 73 . C parsed_2k78 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -212.9 -29.3 . . 73 . C . 74 . N . 74 . CA . 74 . C parsed_2k78 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -34.0 . . 74 . C . 75 . N . 75 . CA . 75 . C parsed_2k78 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.0 167.0 . . 75 . N . 75 . CA . 75 . C . 76 . N parsed_2k78 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -40.0 . . 75 . C . 76 . N . 76 . CA . 76 . C parsed_2k78 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 20.0 . . 76 . N . 76 . CA . 76 . C . 77 . N parsed_2k78 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.8 -104.0 . . 77 . C . 78 . N . 78 . CA . 78 . C parsed_2k78 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.3 185.5 . . 78 . N . 78 . CA . 78 . C . 79 . N parsed_2k78 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -189.5 -72.1 . . 78 . C . 79 . N . 79 . CA . 79 . C parsed_2k78 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.2 188.6 . . 79 . N . 79 . CA . 79 . C . 80 . N parsed_2k78 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.6 -94.2 . . 79 . C . 80 . N . 80 . CA . 80 . C parsed_2k78 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 91.1 159.9 . . 80 . N . 80 . CA . 80 . C . 81 . N parsed_2k78 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 80 . C . 81 . N . 81 . CA . 81 . C parsed_2k78 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 81 . C . 82 . N . 82 . CA . 82 . C parsed_2k78 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.6 -42.8 . . 82 . C . 83 . N . 83 . CA . 83 . C parsed_2k78 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 81.6 171.6 . . 83 . N . 83 . CA . 83 . C . 84 . N parsed_2k78 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -194.0 -20.0 . . 83 . C . 84 . N . 84 . CA . 84 . C parsed_2k78 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 61.0 211.0 . . 84 . N . 84 . CA . 84 . C . 85 . N parsed_2k78 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -30.0 . . 84 . C . 85 . N . 85 . CA . 85 . C parsed_2k78 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . . 85 . N . 85 . CA . 85 . C . 86 . N parsed_2k78 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -206.0 -32.0 . . 85 . C . 86 . N . 86 . CA . 86 . C parsed_2k78 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 81.0 171.0 . . 86 . N . 86 . CA . 86 . C . 87 . N parsed_2k78 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.1 -40.7 . . 86 . C . 87 . N . 87 . CA . 87 . C parsed_2k78 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.2 145.6 . . 87 . N . 87 . CA . 87 . C . 88 . N parsed_2k78 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 -69.0 . . 87 . C . 88 . N . 88 . CA . 88 . C parsed_2k78 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.0 -1.0 . . 88 . N . 88 . CA . 88 . C . 89 . N parsed_2k78 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -204.0 -96.0 . . 88 . C . 89 . N . 89 . CA . 89 . C parsed_2k78 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 209.0 . . 89 . N . 89 . CA . 89 . C . 90 . N parsed_2k78 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -188.5 -67.5 . . 89 . C . 90 . N . 90 . CA . 90 . C parsed_2k78 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.4 172.8 . . 90 . N . 90 . CA . 90 . C . 91 . N parsed_2k78 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.7 -45.1 . . 90 . C . 91 . N . 91 . CA . 91 . C parsed_2k78 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 54.8 186.0 . . 91 . N . 91 . CA . 91 . C . 92 . N parsed_2k78 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.2 -41.2 . . 91 . C . 92 . N . 92 . CA . 92 . C parsed_2k78 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.2 5.6 . . 92 . N . 92 . CA . 92 . C . 93 . N parsed_2k78 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.7 -35.5 . . 92 . C . 93 . N . 93 . CA . 93 . C parsed_2k78 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.0 -7.4 . . 93 . N . 93 . CA . 93 . C . 94 . N parsed_2k78 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134.9 -60.7 . . 93 . C . 94 . N . 94 . CA . 94 . C parsed_2k78 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -31.5 29.5 . . 94 . N . 94 . CA . 94 . C . 95 . N parsed_2k78 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.0 110.0 . . 94 . C . 95 . N . 95 . CA . 95 . C parsed_2k78 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -176.8 -91.0 . . 95 . C . 96 . N . 96 . CA . 96 . C parsed_2k78 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.0 193.6 . . 96 . N . 96 . CA . 96 . C . 97 . N parsed_2k78 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -189.0 -101.0 . . 96 . C . 97 . N . 97 . CA . 97 . C parsed_2k78 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87.8 193.6 . . 97 . N . 97 . CA . 97 . C . 98 . N parsed_2k78 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166.3 -66.7 . . 97 . C . 98 . N . 98 . CA . 98 . C parsed_2k78 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.5 159.3 . . 98 . N . 98 . CA . 98 . C . 99 . N parsed_2k78 1
121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.8 -89.2 . . 98 . C . 99 . N . 99 . CA . 99 . C parsed_2k78 1
122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.3 166.1 . . 99 . N . 99 . CA . 99 . C . 100 . N parsed_2k78 1
123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166.8 -83.2 . . 99 . C . 100 . N . 100 . CA . 100 . C parsed_2k78 1
124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 185.2 . . 100 . N . 100 . CA . 100 . C . 101 . N parsed_2k78 1
125 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -202.5 -51.9 . . 100 . C . 101 . N . 101 . CA . 101 . C parsed_2k78 1
126 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97.9 154.5 . . 101 . N . 101 . CA . 101 . C . 102 . N parsed_2k78 1
127 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.0 -50.0 . . 101 . C . 102 . N . 102 . CA . 102 . C parsed_2k78 1
128 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.0 167.0 . . 102 . N . 102 . CA . 102 . C . 103 . N parsed_2k78 1
129 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -181.1 -73.7 . . 102 . C . 103 . N . 103 . CA . 103 . C parsed_2k78 1
130 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.5 198.3 . . 103 . N . 103 . CA . 103 . C . 104 . N parsed_2k78 1
131 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -30.0 . . 109 . C . 110 . N . 110 . CA . 110 . C parsed_2k78 1
132 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.0 156.0 . . 110 . N . 110 . CA . 110 . C . 111 . N parsed_2k78 1
133 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -29.0 . . 110 . C . 111 . N . 111 . CA . 111 . C parsed_2k78 1
134 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94.0 196.0 . . 111 . N . 111 . CA . 111 . C . 112 . N parsed_2k78 1
135 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.2 -82.2 . . 112 . C . 113 . N . 113 . CA . 113 . C parsed_2k78 1
136 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.3 184.5 . . 113 . N . 113 . CA . 113 . C . 114 . N parsed_2k78 1
137 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168.1 -112.9 . . 113 . C . 114 . N . 114 . CA . 114 . C parsed_2k78 1
138 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.3 174.1 . . 114 . N . 114 . CA . 114 . C . 115 . N parsed_2k78 1
139 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -182.0 -81.8 . . 114 . C . 115 . N . 115 . CA . 115 . C parsed_2k78 1
140 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.1 -80.5 . . 115 . C . 116 . N . 116 . CA . 116 . C parsed_2k78 1
141 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.7 153.7 . . 116 . N . 116 . CA . 116 . C . 117 . N parsed_2k78 1
142 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.3 -72.7 . . 116 . C . 117 . N . 117 . CA . 117 . C parsed_2k78 1
143 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.5 150.9 . . 117 . N . 117 . CA . 117 . C . 118 . N parsed_2k78 1
144 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -161.5 -59.3 . . 117 . C . 118 . N . 118 . CA . 118 . C parsed_2k78 1
145 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 93.5 152.5 . . 118 . N . 118 . CA . 118 . C . 119 . N parsed_2k78 1
146 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.8 -51.8 . . 118 . C . 119 . N . 119 . CA . 119 . C parsed_2k78 1
147 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.8 174.4 . . 119 . N . 119 . CA . 119 . C . 120 . N parsed_2k78 1
148 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -191.7 -74.9 . . 119 . C . 120 . N . 120 . CA . 120 . C parsed_2k78 1
149 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 84.2 220.8 . . 120 . N . 120 . CA . 120 . C . 121 . N parsed_2k78 1
150 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.1 -24.9 . . 120 . C . 121 . N . 121 . CA . 121 . C parsed_2k78 1
151 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 63.8 183.4 . . 121 . N . 121 . CA . 121 . C . 122 . N parsed_2k78 1
152 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.9 -74.5 . . 121 . C . 122 . N . 122 . CA . 122 . C parsed_2k78 1
153 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.6 157.6 . . 122 . N . 122 . CA . 122 . C . 123 . N parsed_2k78 1
154 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 31.0 71.0 . . 122 . C . 123 . N . 123 . CA . 123 . C parsed_2k78 1
155 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 65.0 . . 123 . N . 123 . CA . 123 . C . 124 . N parsed_2k78 1
156 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -183.0 -51.6 . . 124 . C . 125 . N . 125 . CA . 125 . C parsed_2k78 1
157 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.4 195.8 . . 125 . N . 125 . CA . 125 . C . 126 . N parsed_2k78 1
158 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.7 -30.7 . . 125 . C . 126 . N . 126 . CA . 126 . C parsed_2k78 1
159 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.9 159.5 . . 126 . N . 126 . CA . 126 . C . 127 . N parsed_2k78 1
160 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.5 -83.5 . . 126 . C . 127 . N . 127 . CA . 127 . C parsed_2k78 1
161 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 88.5 171.1 . . 127 . N . 127 . CA . 127 . C . 128 . N parsed_2k78 1
162 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.4 -73.6 . . 127 . C . 128 . N . 128 . CA . 128 . C parsed_2k78 1
163 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.1 142.5 . . 128 . N . 128 . CA . 128 . C . 129 . N parsed_2k78 1
164 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -194.0 -20.0 . . 128 . C . 129 . N . 129 . CA . 129 . C parsed_2k78 1
165 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.0 154.0 . . 129 . N . 129 . CA . 129 . C . 130 . N parsed_2k78 1
166 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -199.4 -39.4 . . 129 . C . 130 . N . 130 . CA . 130 . C parsed_2k78 1
167 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 52.1 220.5 . . 130 . N . 130 . CA . 130 . C . 131 . N parsed_2k78 1
168 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.9 -85.9 . . 131 . C . 132 . N . 132 . CA . 132 . C parsed_2k78 1
169 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.1 170.7 . . 132 . N . 132 . CA . 132 . C . 133 . N parsed_2k78 1
170 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.5 -67.1 . . 132 . C . 133 . N . 133 . CA . 133 . C parsed_2k78 1
171 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.9 180.3 . . 133 . N . 133 . CA . 133 . C . 134 . N parsed_2k78 1
172 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -187.0 -31.0 . . 133 . C . 134 . N . 134 . CA . 134 . C parsed_2k78 1
173 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.0 189.0 . . 134 . N . 134 . CA . 134 . C . 135 . N parsed_2k78 1
174 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -182.5 -104.1 . . 134 . C . 135 . N . 135 . CA . 135 . C parsed_2k78 1
175 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.2 178.4 . . 135 . N . 135 . CA . 135 . C . 136 . N parsed_2k78 1
176 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -176.8 -95.0 . . 135 . C . 136 . N . 136 . CA . 136 . C parsed_2k78 1
177 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.2 160.8 . . 136 . N . 136 . CA . 136 . C . 137 . N parsed_2k78 1
178 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.5 -40.1 . . 136 . C . 137 . N . 137 . CA . 137 . C parsed_2k78 1
179 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.0 172.4 . . 137 . N . 137 . CA . 137 . C . 138 . N parsed_2k78 1
180 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -184.8 -39.0 . . 137 . C . 138 . N . 138 . CA . 138 . C parsed_2k78 1
181 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 66.3 192.3 . . 138 . N . 138 . CA . 138 . C . 139 . N parsed_2k78 1
182 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.9 -63.7 . . 138 . C . 139 . N . 139 . CA . 139 . C parsed_2k78 1
183 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 85.0 158.4 . . 139 . N . 139 . CA . 139 . C . 140 . N parsed_2k78 1
184 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.6 -35.2 . . 139 . C . 140 . N . 140 . CA . 140 . C parsed_2k78 1
185 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 67.3 211.7 . . 140 . N . 140 . CA . 140 . C . 141 . N parsed_2k78 1
186 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 142 . C . 143 . N . 143 . CA . 143 . C parsed_2k78 1
187 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 36 . N . 36 . CA . 36 . CB . 36 . CG parsed_2k78 1
188 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 48 . N . 48 . CA . 48 . CB . 48 . CG parsed_2k78 1
189 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 58 . N . 58 . CA . 58 . CB . 58 . CG parsed_2k78 1
190 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 62 . N . 62 . CA . 62 . CB . 62 . CG parsed_2k78 1
191 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 63 . N . 63 . CA . 63 . CB . 63 . CG parsed_2k78 1
192 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 66 . N . 66 . CA . 66 . CB . 66 . CG parsed_2k78 1
193 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 83 . N . 83 . CA . 83 . CB . 83 . CG parsed_2k78 1
194 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 90 . N . 90 . CA . 90 . CB . 90 . CG parsed_2k78 1
195 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 96 . N . 96 . CA . 96 . CB . 96 . CG parsed_2k78 1
196 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 99 . N . 99 . CA . 99 . CB . 99 . og parsed_2k78 1
197 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 101 . N . 101 . CA . 101 . CB . 101 . CG parsed_2k78 1
198 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 106 . N . 106 . CA . 106 . CB . 106 . CG parsed_2k78 1
199 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 111 . N . 111 . CA . 111 . CB . 111 . CG parsed_2k78 1
200 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 113 . N . 113 . CA . 113 . CB . 113 . CG parsed_2k78 1
201 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 119 . N . 119 . CA . 119 . CB . 119 . CG parsed_2k78 1
202 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 120 . N . 120 . CA . 120 . CB . 120 . CG parsed_2k78 1
203 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -150.0 . . 129 . N . 129 . CA . 129 . CB . 129 . CG parsed_2k78 1
204 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 133 . N . 133 . CA . 133 . CB . 133 . CG parsed_2k78 1
205 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 134 . N . 134 . CA . 134 . CB . 134 . CG parsed_2k78 1
206 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 90.0 . . 137 . N . 137 . CA . 137 . CB . 137 . CG parsed_2k78 1
207 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 139 . N . 139 . CA . 139 . CB . 139 . CG parsed_2k78 1
208 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 140 . N . 140 . CA . 140 . CB . 140 . CG parsed_2k78 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
;
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.
S28 (TALOS: Phi -141.0 +/- 16.0 , TALOS: Psi 161.0 +/- 14.0 )
;
2 1 13 64 parsed_2k78 1
2 "T30 (TALOS: Phi -126.0 +/- 15.0 , TALOS: Psi 141.0 +/- 16.0 )" 18 1 18 64 parsed_2k78 1
3 "L31 (TALOS: Phi -123.0 +/- 17.0 , TALOS: Psi 128.0 +/- 10.0 )" 23 1 23 64 parsed_2k78 1
4 "N32 (TALOS: Phi -103.0 +/- 19.0 , TALOS: Psi 129.0 +/- 10.0 )" 28 1 28 64 parsed_2k78 1
5 "Y33 (TALOS: Phi -139.0 +/- 20.0 , TALOS: Psi 156.0 +/- 12.0 )" 33 1 33 64 parsed_2k78 1
6 "E34 (TALOS: Phi -141.0 +/- 9.0 , TALOS: Psi 146.0 +/- 16.0 )" 38 1 38 64 parsed_2k78 1
7 "V35 (TALOS: Phi -117.6 +/- 26.3 , TALOS: Psi 127.0 +/- 21.8 )" 43 1 43 64 parsed_2k78 1
8 "Y36 (TALOS: Phi -109.2 +/- 16.2 , TALOS: Psi 129.6 +/- 21.9 )" 48 1 48 64 parsed_2k78 1
9 "K37 (TALOS: Phi -88.2 +/- 11.8 , TALOS: Psi 124.4 +/- 18.3 )" 53 1 53 63 parsed_2k78 1
10 N39 60 1 60 6 parsed_2k78 1
11 "T40 (TALOS: Phi -127.0 +/- 22.0 , TALOS: Psi 166.0 +/- 18.0 )" 66 1 66 64 parsed_2k78 1
12 "D42 (0706 90% in conformer and xtal)" 72 1 72 38 parsed_2k78 1
13 "T43 (TALOS: Phi -84.0 +/- 14.0 , TALOS: Psi 129.0 +/- 10.0 )" 76 1 76 63 parsed_2k78 1
14 "S44 (TALOS: Phi -99.0 +/- 8.0 , TALOS: Psi 15.0 +/- 6.0 )" 83 1 83 63 parsed_2k78 1
15 "Psi loosened from 20 to 30 change all?" 86 1 86 41 parsed_2k78 1
16 "I45 (set phi to negative 0705)" 91 1 91 32 parsed_2k78 1
17 "A46 (TALOS: Phi -75.5 +/- 8.6 , TALOS: Psi -33.2 +/- 17.2 )" 98 1 98 63 parsed_2k78 1
18 "N47 (TALOS: Phi -67.9 +/- 14.7 , TALOS: Psi -39.3 +/- 9.1 )" 106 1 106 63 parsed_2k78 1
19 "D48 (TALOS: Phi -71.7 +/- 10.1 , TALOS: Psi -24.3 +/- 13.1 )" 115 1 115 63 parsed_2k78 1
20 Y49 121 1 121 6 parsed_2k78 1
21 "F50 (TALOS: Phi -90.0 +/- 14.0 , TALOS: Psi 122.0 +/- 18.0 )" 125 1 125 63 parsed_2k78 1
22 "N51 (TALOS: Phi -79.3 +/- 17.4 , TALOS: Psi 124.9 +/- 12.6 )" 130 1 130 63 parsed_2k78 1
23 "(resid 51 and name C) (resid 52 and name N) 1.0 124.9 37.8 2" 135 7 135 77 parsed_2k78 1
24 "Tighned to 140(40) 71607:Changed tolerance to 40" 133 1 133 50 parsed_2k78 1
25 "K52 (TALOS: Phi -102.8 +/- 28.6 , TALOS: Psi 146.0 +/- 26.6 )" 139 1 139 64 parsed_2k78 1
26 "(resid 52 and name C) (resid 53 and name N) 1.0 146.0 79.7 2" 144 6 144 77 parsed_2k78 1
27 "Tighned to 160(40)" 142 1 142 20 parsed_2k78 1
28 "P53 (TALOS: Phi -75.0 +/- 33.0 , TALOS: Psi 154.0 +/- 10.0 )" 148 1 148 63 parsed_2k78 1
29 "A54 (TALOS: Phi -124.5 +/- 16.9 , TALOS: Psi 144.3 +/- 14.5 )" 153 1 153 64 parsed_2k78 1
30 "Y56 (TALOS: Phi -136.4 +/- 15.0 , TALOS: Psi 143.9 +/- 11.0 )" 158 1 158 64 parsed_2k78 1
31 "I57 (TALOS: Phi -133.6 +/- 15.0 , TALOS: Psi 135.8 +/- 10.3 )" 163 1 163 64 parsed_2k78 1
32 "K58 (TALOS: Phi -118.5 +/- 19.8 , TALOS: Psi 133.3 +/- 13.4 )" 168 1 168 64 parsed_2k78 1
33 "K59 (TALOS: Phi -134.9 +/- 31.6 , TALOS: Psi 127.3 +/- 21.6 )" 173 1 173 64 parsed_2k78 1
34 N60 180 1 180 6 parsed_2k78 1
35 "G61 (+Phi 9/7/07)" 184 1 184 19 parsed_2k78 1
36 "K62 (TALOS: Phi -116.0 +/- 19.0 , TALOS: Psi 161.0 +/- 20.0 )" 188 1 188 64 parsed_2k78 1
37 "L63 (TALOS: Phi -111.8 +/- 23.4 , TALOS: Psi 138.1 +/- 12.6 )" 193 1 193 64 parsed_2k78 1
38 "Y64 (TALOS: Phi -119.6 +/- 12.8 , TALOS: Psi 149.9 +/- 19.9 )" 198 1 198 64 parsed_2k78 1
39 "V65 (TALOS: Phi -135.8 +/- 11.4 , TALOS: Psi 151.1 +/- 13.0 )" 203 1 203 64 parsed_2k78 1
40 "Q66 (TALOS: Phi -113.3 +/- 5.6 , TALOS: Psi 135.8 +/- 15.8 )" 209 1 209 63 parsed_2k78 1
41 "I67 (TALOS: Phi -117.1 +/- 24.4 , TALOS: Psi 127.4 +/- 7.0 )" 214 1 214 64 parsed_2k78 1
42 "T68 (TALOS: Phi -109.9 +/- 8.7 , TALOS: Psi 135.8 +/- 7.8 )" 219 1 219 64 parsed_2k78 1
43 "V69 (TALOS: Phi -127.4 +/- 16.4 , TALOS: Psi 142.1 +/- 13.7 )" 224 1 224 64 parsed_2k78 1
44 "N70 (TALOS: Phi -129.3 +/- 28.5 , TALOS: Psi 153.1 +/- 8.7 )" 229 1 229 64 parsed_2k78 1
45 "H71 (0706 Set to +Phi from xtal) (correct?)" 236 1 236 45 parsed_2k78 1
46
;
S72 (TALOS: Phi -62.0 +/- 7.2 , TALOS: Psi -34.6 +/- 10.2 )
Loosened bounds to 30
;
241 1 242 23 parsed_2k78 1
47 "H73 (from xtal)" 248 1 248 17 parsed_2k78 1
48 "W74 (TALOS: Phi -121.1 +/- 30.6 , TALOS: Psi 163.5 +/- 16.1 )" 253 1 253 64 parsed_2k78 1
49 "I75 (TALOS: Phi -97.0 +/- 21.0 , TALOS: Psi 137.0 +/- 10.0 )" 257 1 257 63 parsed_2k78 1
50 "T76 (set to -80 (40)) & -20(40)" 263 1 263 35 parsed_2k78 1
51 "M78 (TALOS: Phi -142.4 +/- 12.8 , TALOS: Psi 145.9 +/- 13.2 )" 269 1 269 64 parsed_2k78 1
52 "S79 (TALOS: Phi -130.8 +/- 19.6 , TALOS: Psi 141.9 +/- 15.6 )" 274 1 274 64 parsed_2k78 1
53 "I80 (TALOS: Phi -134.9 +/- 13.6 , TALOS: Psi 125.5 +/- 11.5 )" 279 1 279 64 parsed_2k78 1
54 "E81 (+ Phi 9/12) (90% converge + xtal)" 285 1 285 40 parsed_2k78 1
55 "G82 (+ Phi 9/7)" 289 1 289 17 parsed_2k78 1
56
;
H83 (TALOS: Phi -94.7 +/- 17.3 , TALOS: Psi 126.6 +/- 23.8 )
tightened psi (90%converge + xtal)
;
294 1 295 37 parsed_2k78 1
57 "K84 (TALOS: Phi -107.0 +/- 29.0 , TALOS: Psi 136.0 +/- 25.0 )" 302 1 302 64 parsed_2k78 1
58 "E85 Added by ROB" 308 1 308 19 parsed_2k78 1
59
;
N86 (TALOS: Phi -119.0 +/- 29.0 , TALOS: Psi 126.0 +/- 23.0 )
tightened psi (90%converge + xtal)
;
316 1 317 37 parsed_2k78 1
60 "I87 (TALOS: Phi -88.4 +/- 15.9 , TALOS: Psi 123.4 +/- 7.4 )" 325 1 325 63 parsed_2k78 1
61 "I88 (TALOS: Phi -102.0 +/- 11.0 , TALOS: Psi -31.0 +/- 10.0 )" 330 1 330 64 parsed_2k78 1
62 "S89 (TALOS: Phi -150.0 +/- 18.0 , TALOS: Psi 152.0 +/- 19.0 )" 335 1 335 64 parsed_2k78 1
63 "K90 (TALOS: Phi -128.0 +/- 20.2 , TALOS: Psi 134.1 +/- 12.9 )" 340 1 340 64 parsed_2k78 1
64 "N91 (TALOS: Phi -101.9 +/- 18.9 , TALOS: Psi 120.4 +/- 21.9 )" 345 1 345 64 parsed_2k78 1
65 "T92 (TALOS: Phi -61.2 +/- 6.5 , TALOS: Psi -26.8 +/- 10.8 )" 350 1 350 63 parsed_2k78 1
66 "A93 (TALOS: Phi -66.1 +/- 10.2 , TALOS: Psi -30.2 +/- 7.6 )" 355 1 355 63 parsed_2k78 1
67 "K94 (TALOS: Phi -97.8 +/- 12.4 , TALOS: Psi -1.0 +/- 10.2 )" 360 1 360 63 parsed_2k78 1
68 "D95 (+Phi 9/7)" 366 1 366 16 parsed_2k78 1
69 "E96 (TALOS: Phi -133.9 +/- 14.3 , TALOS: Psi 154.8 +/- 12.9 )" 372 1 372 64 parsed_2k78 1
70 "R97 (TALOS: Phi -145.0 +/- 14.7 , TALOS: Psi 140.7 +/- 17.6 )" 377 1 377 64 parsed_2k78 1
71 "T98 (TALOS: Phi -116.5 +/- 16.6 , TALOS: Psi 129.9 +/- 9.8 )" 382 1 382 64 parsed_2k78 1
72 "S99 (TALOS: Phi -127.0 +/- 12.6 , TALOS: Psi 134.7 +/- 10.5 )" 387 1 387 64 parsed_2k78 1
73 "E100 (TALOS: Phi -125.0 +/- 13.9 , TALOS: Psi 140.1 +/- 15.0 )" 392 1 392 65 parsed_2k78 1
74 "F101 (TALOS: Phi -127.2 +/- 25.1 , TALOS: Psi 126.2 +/- 9.4 )" 397 1 397 65 parsed_2k78 1
75 "E102 (TALOS: Phi -104.0 +/- 18.0 , TALOS: Psi 128.0 +/- 13.0 )" 402 1 402 65 parsed_2k78 1
76 "V103 (TALOS: Phi -127.4 +/- 17.9 , TALOS: Psi 160.4 +/- 12.6 )" 407 1 407 65 parsed_2k78 1
77 "I110 (TALOS: Phi -120.0 +/- 30.0 , TALOS: Psi 132.0 +/- 8.0 )" 412 1 412 65 parsed_2k78 1
78 "D111 (TALOS: Phi -104.0 +/- 25.0 , TALOS: Psi 145.0 +/- 17.0 )" 417 1 417 65 parsed_2k78 1
79 "K113 (TALOS: Phi -126.2 +/- 14.7 , TALOS: Psi 143.4 +/- 13.7 )" 422 1 422 65 parsed_2k78 1
80 "I114 (TALOS: Phi -140.5 +/- 9.2 , TALOS: Psi 142.7 +/- 10.5 )" 427 1 427 65 parsed_2k78 1
81 "D115 (TALOS: Phi -131.9 +/- 16.7 , TALOS: Psi 134.2 +/- 7.8 )" 432 1 432 65 parsed_2k78 1
82
;
assign (resid 115 and name N) (resid 115 and name CA)
(resid 115 and name C) (resid 116 and name N) 1.0 134.2 23.4 2
V116 (TALOS: Phi -116.3 +/- 11.9 , TALOS: Psi 133.7 +/- 5.5 )
;
435 1 437 65 parsed_2k78 1
83 "Y117 (TALOS: Phi -122.5 +/- 16.6 , TALOS: Psi 125.2 +/- 8.6 )" 442 1 442 65 parsed_2k78 1
84 "I118 (TALOS: Phi -110.4 +/- 17.0 , TALOS: Psi 123.0 +/- 9.8 )" 447 1 447 65 parsed_2k78 1
85 "D119 (TALOS: Phi -107.8 +/- 18.7 , TALOS: Psi 135.1 +/- 13.1 )" 452 1 452 65 parsed_2k78 1
86 "E120 (TALOS: Phi -133.3 +/- 19.5 , TALOS: Psi 152.5 +/- 22.8 )" 457 1 457 65 parsed_2k78 1
87 "K121 (TALOS: Phi -87.0 +/- 20.7 , TALOS: Psi 123.6 +/- 19.9 )" 462 1 462 64 parsed_2k78 1
88 "V122 (TALOS: Phi -115.2 +/- 13.6 , TALOS: Psi 124.1 +/- 11.2 )" 467 1 467 65 parsed_2k78 1
89 "N123 (TALOS: Phi 51.0 +/- 4.1 , TALOS: Psi 45.0 +/- 3.4 )" 472 1 472 64 parsed_2k78 1
90 "K125 (TALOS: Phi -117.3 +/- 21.9 , TALOS: Psi 138.1 +/- 19.2 )" 477 1 477 65 parsed_2k78 1
91 "P126 (TALOS: Phi -67.7 +/- 12.3 , TALOS: Psi 133.2 +/- 8.8 )" 482 1 482 64 parsed_2k78 1
92 "F127 (TALOS: Phi -124.5 +/- 13.7 , TALOS: Psi 129.8 +/- 13.8 )" 487 1 487 65 parsed_2k78 1
93 "K128 (TALOS: Phi -108.5 +/- 11.6 , TALOS: Psi 120.8 +/- 7.2 )" 492 1 492 65 parsed_2k78 1
94 "Y129 (TALOS: Phi -107.0 +/- 29.0 , TALOS: Psi 134.0 +/- 6.0 )" 497 1 497 65 parsed_2k78 1
95 "D130 (TALOS: Phi -119.4 +/- 26.7 , TALOS: Psi 136.3 +/- 28.1 )" 502 1 502 65 parsed_2k78 1
96
;
H131 (TALOS: Phi -116.0 +/- 18.0 , TALOS: Psi 145.0 +/- 17.0 )
assign (resid 130 and name C) (resid 131 and name N)
(resid 131 and name CA) (resid 131 and name C) 1.0 -116.0 54.0 2
assign (resid 131 and name N) (resid 131 and name CA)
(resid 131 and name C) (resid 132 and name N) 1.0 145.0 51.0 2
H132 (TALOS: Phi -117.9 +/- 10.7 , TALOS: Psi 128.4 +/- 14.1 )
;
507 1 512 65 parsed_2k78 1
97 "Y133 (TALOS: Phi -123.8 +/- 18.9 , TALOS: Psi 147.6 +/- 10.9 )" 517 1 517 65 parsed_2k78 1
98 "N134 (TALOS: Phi -109.0 +/- 26.0 , TALOS: Psi 144.0 +/- 15.0 )" 522 1 522 65 parsed_2k78 1
99 "I135 (TALOS: Phi -143.3 +/- 13.1 , TALOS: Psi 146.8 +/- 10.5 )" 527 1 527 65 parsed_2k78 1
100 "T136 (TALOS: Phi -135.9 +/- 13.6 , TALOS: Psi 129.5 +/- 10.4 )" 532 1 532 65 parsed_2k78 1
101 "Y137 (TALOS: Phi -104.8 +/- 21.6 , TALOS: Psi 134.2 +/- 12.7 )" 537 1 537 65 parsed_2k78 1
102 "K138 (TALOS: Phi -111.9 +/- 24.3 , TALOS: Psi 129.3 +/- 21.0 )" 542 1 542 65 parsed_2k78 1
103 "F139 (TALOS: Phi -110.3 +/- 15.5 , TALOS: Psi 121.7 +/- 12.2 )" 547 1 547 65 parsed_2k78 1
104 "N140 (TALOS: Phi -103.9 +/- 22.9 , TALOS: Psi 139.5 +/- 24.1 )" 552 1 552 65 parsed_2k78 1
105 "T143 (-Phi)" 558 1 558 13 parsed_2k78 1
106
;
!!CHI ROTAMER 050707
Y36
;
562 1 564 5 parsed_2k78 1
107 D48 568 1 568 5 parsed_2k78 1
108 K58 572 1 572 5 parsed_2k78 1
109 K62 576 1 576 5 parsed_2k78 1
110 L63 580 1 580 5 parsed_2k78 1
111 Q66 584 1 584 5 parsed_2k78 1
112 H83 588 1 588 5 parsed_2k78 1
113 K90 592 1 592 5 parsed_2k78 1
114 E96 596 1 596 5 parsed_2k78 1
115 S99 600 1 600 5 parsed_2k78 1
116 F101 604 1 604 6 parsed_2k78 1
117
;
K105 (removed 0705)
assign (resid 105 and name N) (resid 105 and name CA)
(resid 105 and name CB) (resid 105 and name CG) 1.0 60.0 30.0 2
L106
;
608 1 612 6 parsed_2k78 1
118 D111 616 1 616 6 parsed_2k78 1
119 K113 620 1 620 6 parsed_2k78 1
120 D119 624 1 624 6 parsed_2k78 1
121 E120 628 1 628 6 parsed_2k78 1
122 "Y129 Ligand for heme artificial restraint (0607)" 632 1 632 50 parsed_2k78 1
123 Y133 636 1 636 6 parsed_2k78 1
124 N134 640 1 640 6 parsed_2k78 1
125 !Y137 644 1 644 7 parsed_2k78 1
126 F139 648 1 648 6 parsed_2k78 1
127 N140 652 1 652 6 parsed_2k78 1
stop_
save_
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