NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
524066 |
2lgp   |
16480 | cing | 2-parsed | STAR | dihedral angle | 50 |
data_2lgp_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2lgp
_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_2lgp 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2lgp
_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 2lgp "Master copy" parsed_2lgp
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2lgp
_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 2lgp.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lgp 1
1 2lgp.mr . . XPLOR/CNS 2 distance "general distance" simple 12 parsed_2lgp 1
1 2lgp.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 50 parsed_2lgp 1
1 2lgp.mr . . XPLOR/CNS 4 distance "general distance" simple 0 parsed_2lgp 1
1 2lgp.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 0 parsed_2lgp 1
1 2lgp.mr . . XPLOR/CNS 6 distance NOE ambi 0 parsed_2lgp 1
1 2lgp.mr . . XPLOR/CNS 7 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2lgp 1
1 2lgp.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lgp 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2lgp
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.00 -34.00 . . 121 . C . 122 . N . 122 . CA . 122 . C parsed_2lgp 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.00 174.00 . . 122 . N . 122 . CA . 122 . C . 123 . N parsed_2lgp 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . . 134 . C . 135 . N . 135 . CA . 135 . C parsed_2lgp 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.00 3.00 . . 135 . N . 135 . CA . 135 . C . 136 . N parsed_2lgp 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142.00 -74.00 . . 138 . C . 139 . N . 139 . CA . 139 . C parsed_2lgp 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.00 188.00 . . 139 . N . 139 . CA . 139 . C . 140 . N parsed_2lgp 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.00 -81.00 . . 139 . C . 140 . N . 140 . CA . 140 . C parsed_2lgp 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.00 199.00 . . 140 . N . 140 . CA . 140 . C . 141 . N parsed_2lgp 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.00 -28.00 . . 141 . C . 142 . N . 142 . CA . 142 . C parsed_2lgp 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.00 9.00 . . 142 . N . 142 . CA . 142 . C . 143 . N parsed_2lgp 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113.00 -29.00 . . 142 . C . 143 . N . 143 . CA . 143 . C parsed_2lgp 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.00 32.00 . . 143 . N . 143 . CA . 143 . C . 144 . N parsed_2lgp 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.00 -37.00 . . 152 . C . 153 . N . 153 . CA . 153 . C parsed_2lgp 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.00 22.00 . . 153 . N . 153 . CA . 153 . C . 154 . N parsed_2lgp 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.00 -30.00 . . 155 . C . 156 . N . 156 . CA . 156 . C parsed_2lgp 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.00 -3.00 . . 156 . N . 156 . CA . 156 . C . 157 . N parsed_2lgp 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.00 -46.00 . . 156 . C . 157 . N . 157 . CA . 157 . C parsed_2lgp 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.00 36.00 . . 157 . N . 157 . CA . 157 . C . 158 . N parsed_2lgp 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142.00 -70.00 . . 157 . C . 158 . N . 158 . CA . 158 . C parsed_2lgp 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.00 44.00 . . 158 . N . 158 . CA . 158 . C . 159 . N parsed_2lgp 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.00 -24.00 . . 159 . C . 160 . N . 160 . CA . 160 . C parsed_2lgp 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.00 -4.00 . . 160 . N . 160 . CA . 160 . C . 161 . N parsed_2lgp 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.00 -37.00 . . 160 . C . 161 . N . 161 . CA . 161 . C parsed_2lgp 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.00 17.00 . . 161 . N . 161 . CA . 161 . C . 162 . N parsed_2lgp 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.00 -31.00 . . 173 . C . 174 . N . 174 . CA . 174 . C parsed_2lgp 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.00 184.00 . . 174 . N . 174 . CA . 174 . C . 175 . N parsed_2lgp 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . . 177 . C . 178 . N . 178 . CA . 178 . C parsed_2lgp 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 10.00 . . 178 . N . 178 . CA . 178 . C . 179 . N parsed_2lgp 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.00 -90.00 . . 180 . C . 181 . N . 181 . CA . 181 . C parsed_2lgp 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 93.00 153.00 . . 181 . N . 181 . CA . 181 . C . 182 . N parsed_2lgp 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.00 -72.00 . . 181 . C . 182 . N . 182 . CA . 182 . C parsed_2lgp 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 75.00 143.00 . . 182 . N . 182 . CA . 182 . C . 183 . N parsed_2lgp 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.00 -18.00 . . 183 . C . 184 . N . 184 . CA . 184 . C parsed_2lgp 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.00 -3.00 . . 184 . N . 184 . CA . 184 . C . 185 . N parsed_2lgp 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.00 -32.00 . . 184 . C . 185 . N . 185 . CA . 185 . C parsed_2lgp 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.00 34.00 . . 185 . N . 185 . CA . 185 . C . 186 . N parsed_2lgp 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168.00 -88.00 . . 188 . C . 189 . N . 189 . CA . 189 . C parsed_2lgp 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.00 187.00 . . 189 . N . 189 . CA . 189 . C . 190 . N parsed_2lgp 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.00 -35.00 . . 190 . C . 191 . N . 191 . CA . 191 . C parsed_2lgp 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.00 -14.00 . . 191 . N . 191 . CA . 191 . C . 192 . N parsed_2lgp 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.00 -33.00 . . 191 . C . 192 . N . 192 . CA . 192 . C parsed_2lgp 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 0.00 . . 192 . N . 192 . CA . 192 . C . 193 . N parsed_2lgp 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113.00 -49.00 . . 198 . C . 199 . N . 199 . CA . 199 . C parsed_2lgp 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.00 154.00 . . 199 . N . 199 . CA . 199 . C . 200 . N parsed_2lgp 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.00 -27.00 . . 201 . C . 202 . N . 202 . CA . 202 . C parsed_2lgp 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.00 -8.00 . . 202 . N . 202 . CA . 202 . C . 203 . N parsed_2lgp 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.00 -25.00 . . 204 . C . 205 . N . 205 . CA . 205 . C parsed_2lgp 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.00 -8.00 . . 205 . N . 205 . CA . 205 . C . 206 . N parsed_2lgp 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.00 -34.00 . . 208 . C . 209 . N . 209 . CA . 209 . C parsed_2lgp 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.00 8.00 . . 209 . N . 209 . CA . 209 . C . 210 . N parsed_2lgp 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1
;
Dihedral angle restraints from TALOS
S 2 Phi Psi
;
1 1 3 16 parsed_2lgp 1
2
;
! S 11 Phi Psi
assign (resid 130 and name C ) (resid 131 and name N)
(resid 131 and name CA) (resid 131 and name C) 1.0 -121.00 66.00 2
assign (resid 131 and name N) (resid 131 and name CA)
(resid 131 and name C) (resid 132 and name N) 1.0 135.00 36.00 2
! F 12 Phi Psi
assign (resid 131 and name C ) (resid 132 and name N)
(resid 132 and name CA) (resid 132 and name C) 1.0 -117.00 40.00 2
assign (resid 132 and name N) (resid 132 and name CA)
(resid 132 and name C) (resid 133 and name N) 1.0 125.00 56.00 2
! Q 13 Phi Psi
assign (resid 132 and name C ) (resid 133 and name N)
(resid 133 and name CA) (resid 133 and name C) 1.0 -113.00 56.00 2
assign (resid 133 and name N) (resid 133 and name CA)
(resid 133 and name C) (resid 134 and name N) 1.0 118.00 36.00 2
N 15 Phi Psi
;
8 1 23 16 parsed_2lgp 1
3
;
! S 16 Phi Psi
assign (resid 135 and name C ) (resid 136 and name N)
(resid 136 and name CA) (resid 136 and name C) 1.0 -63.00 30.00 2
assign (resid 136 and name N) (resid 136 and name CA)
(resid 136 and name C) (resid 137 and name N) 1.0 -28.00 36.00 2
! S 17 Phi Psi
assign (resid 136 and name C ) (resid 137 and name N)
(resid 137 and name CA) (resid 137 and name C) 1.0 -70.00 52.00 2
assign (resid 137 and name N) (resid 137 and name CA)
(resid 137 and name C) (resid 138 and name N) 1.0 -21.00 30.00 2
c 19 Phi Psi
;
28 1 38 16 parsed_2lgp 1
4 "I 20 Phi Psi" 43 1 43 16 parsed_2lgp 1
5 "Q 22 Phi Psi" 48 1 48 16 parsed_2lgp 1
6 "L 23 Phi Psi expanded" 53 1 53 26 parsed_2lgp 1
7
;
! A 25 Phi Psi expanded
assign (resid 144 and name C ) (resid 145 and name N)
(resid 145 and name CA) (resid 145 and name C) 1.0 -81.00 32.00 2
assign (resid 145 and name N) (resid 145 and name CA)
(resid 145 and name C) (resid 146 and name N) 1.0 144.00 54.00 2
P 30 Phi Psi
assign (resid 149 and name C ) (resid 150 and name N)
(resid 150 and name CA) (resid 150 and name C) 1.0 -96.00 50.00 2
assign (resid 150 and name N) (resid 150 and name CA)
(resid 150 and name C) (resid 151 and name N) 1.0 129.00 52.00 2
! D 31 Phi Psi
assign (resid 150 and name C ) (resid 151 and name N)
(resid 151 and name CA) (resid 151 and name C) 1.0 -100.00 74.00 2
assign (resid 151 and name N) (resid 151 and name CA)
(resid 151 and name C) (resid 152 and name N) 1.0 143.00 56.00 2
E 33 Phi Psi
;
58 1 73 16 parsed_2lgp 1
8
;
! D 34 Phi Psi
assign (resid 153 and name C ) (resid 154 and name N)
(resid 154 and name CA) (resid 154 and name C) 1.0 -93.00 46.00 2
assign (resid 154 and name N) (resid 154 and name CA)
(resid 154 and name C) (resid 155 and name N) 1.0 11.00 50.00 2
S 36 Phi Psi
;
78 1 83 16 parsed_2lgp 1
9 "D 37 Phi Psi" 88 1 88 16 parsed_2lgp 1
10 "E 38 Phi Psi" 93 1 93 16 parsed_2lgp 1
11 "P 40 Phi Psi" 98 1 98 16 parsed_2lgp 1
12 "Q 41 Phi Psi" 103 1 103 16 parsed_2lgp 1
13
;
! R 42 Phi Psi !Expanded
assign (resid 161 and name C ) (resid 162 and name N)
(resid 162 and name CA) (resid 162 and name C) 1.0 -93.00 30.00 2
assign (resid 162 and name N) (resid 162 and name CA)
(resid 162 and name C) (resid 163 and name N) 1.0 -18.00 60.00 2
S 54 Phi Psi
;
108 1 113 16 parsed_2lgp 1
14 "A 58 Phi Psi" 118 1 118 16 parsed_2lgp 1
15
;
! F 59 Phi Psi
assign (resid 178 and name C ) (resid 179 and name N)
(resid 179 and name CA) (resid 179 and name C) 1.0 -100.00 38.00 2
assign (resid 179 and name N) (resid 179 and name CA)
(resid 179 and name C) (resid 180 and name N) 1.0 8.00 50.00 2
! E 60 Phi Psi
assign (resid 179 and name C ) (resid 180 and name N)
(resid 180 and name CA) (resid 180 and name C) 1.0 -121.00 60.00 2
assign (resid 180 and name N) (resid 180 and name CA)
(resid 180 and name C) (resid 181 and name N) 1.0 156.00 40.00 2
F 61 Phi Psi
;
123 1 133 16 parsed_2lgp 1
16 "H 62 Phi Psi" 138 1 138 16 parsed_2lgp 1
17 "L 64 Phi Psi" 143 1 143 16 parsed_2lgp 1
18 "S 65 Phi Psi" 148 1 148 16 parsed_2lgp 1
19
;
! E 67 Phi Psi (errors large)
assign (resid 186 and name C ) (resid 187 and name N)
(resid 187 and name CA) (resid 187 and name C) 1.0 -92.00 70.00 2
assign (resid 187 and name N) (resid 187 and name CA)
(resid 187 and name C) (resid 188 and name N) 1.0 137.00 52.00 2
I 69 Phi Psi
;
153 1 158 16 parsed_2lgp 1
20 "S 71 Phi Psi" 163 1 163 16 parsed_2lgp 1
21 "S 72 Phi Psi" 168 1 168 16 parsed_2lgp 1
22
;
! R 74 Phi Psi
assign (resid 193 and name C ) (resid 194 and name N)
(resid 194 and name CA) (resid 194 and name C) 1.0 -92.00 38.00 2
assign (resid 194 and name N) (resid 194 and name CA)
(resid 194 and name C) (resid 195 and name N) 1.0 124.00 42.00 2
! G 77 Phi Psi
assign (resid 196 and name C ) (resid 197 and name N)
(resid 197 and name CA) (resid 197 and name C) 1.0 81.00 44.00 2
assign (resid 197 and name N) (resid 197 and name CA)
(resid 197 and name C) (resid 198 and name N) 1.0 11.00 48.00 2
P 79 Phi Psi
;
173 1 183 16 parsed_2lgp 1
23 "K 82 Phi Psi" 188 1 188 16 parsed_2lgp 1
24 "S 85 Phi Psi" 193 1 193 16 parsed_2lgp 1
25
;
! D 86 Phi Psi
assign (resid 205 and name C ) (resid 206 and name N)
(resid 206 and name CA) (resid 206 and name C) 1.0 -71.00 34.00 2
assign (resid 206 and name N) (resid 206 and name CA)
(resid 206 and name C) (resid 207 and name N) 1.0 -9.00 60.00 2
! E 88 Phi Psi
assign (resid 207 and name C ) (resid 208 and name N)
(resid 208 and name CA) (resid 208 and name C) 1.0 -106.00 66.00 2
assign (resid 208 and name N) (resid 208 and name CA)
(resid 208 and name C) (resid 209 and name N) 1.0 159.00 30.00 2
N 89 Phi Psi
;
198 1 208 16 parsed_2lgp 1
stop_
save_
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