NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
36701 |
1o4x   |
cing | 2-parsed | STAR | dihedral angle | 47 |
data_1o4x_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1o4x
_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_1o4x 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1o4x
_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 1o4x "Master copy" parsed_1o4x
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1o4x
_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 1o4x.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 139 parsed_1o4x 1
1 1o4x.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 204 parsed_1o4x 1
1 1o4x.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 7 distance NOE ambi 16 parsed_1o4x 1
1 1o4x.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 9 distance NOE ambi 47 parsed_1o4x 1
1 1o4x.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 11 distance NOE simple 3 parsed_1o4x 1
1 1o4x.mr . . n/a 12 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 13 "dihedral angle" "Not applicable" "Not applicable" 18 parsed_1o4x 1
1 1o4x.mr . . n/a 14 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 15 "dihedral angle" "Not applicable" "Not applicable" 3 parsed_1o4x 1
1 1o4x.mr . . n/a 16 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 17 distance "general distance" simple 15 parsed_1o4x 1
1 1o4x.mr . . n/a 18 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 19 distance "general distance" simple 5 parsed_1o4x 1
1 1o4x.mr . . n/a 20 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 21 "dihedral angle" "Not applicable" "Not applicable" 35 parsed_1o4x 1
1 1o4x.mr . . n/a 22 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 23 "dihedral angle" "Not applicable" "Not applicable" 24 parsed_1o4x 1
1 1o4x.mr . . n/a 24 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 25 "dihedral angle" "Not applicable" "Not applicable" 47 parsed_1o4x 1
1 1o4x.mr . . n/a 26 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 27 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . "MR format" 28 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1o4x 1
stop_
save_
save_CNS/XPLOR_dihedral_25
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1o4x
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 25
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 207 . n . 207 . ca . 207 . cb . 207 . cg parsed_1o4x 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 207 . ca . 207 . cb . 207 . cg . 207 . cd parsed_1o4x 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 207 . cb . 207 . cg . 207 . cd . 207 . ne parsed_1o4x 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 209 . n . 209 . ca . 209 . cb . 209 . cg parsed_1o4x 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 209 . ca . 209 . cb . 209 . cg . 209 . cd parsed_1o4x 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 209 . cb . 209 . cg . 209 . cd . 209 . ce parsed_1o4x 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 210 . n . 210 . ca . 210 . cb . 210 . cg parsed_1o4x 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 210 . ca . 210 . cb . 210 . cg . 210 . cd parsed_1o4x 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 85.0 . . 210 . cb . 210 . cg . 210 . cd . 210 . ne parsed_1o4x 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 212 . n . 212 . ca . 212 . cb . 212 . cg parsed_1o4x 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 212 . ca . 212 . cb . 212 . cg . 212 . sd parsed_1o4x 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 212 . cb . 212 . cg . 212 . sd . 212 . ce parsed_1o4x 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 213 . n . 213 . ca . 213 . cb . 213 . cg parsed_1o4x 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.0 50.0 . . 213 . ca . 213 . cb . 213 . cg . 213 . od1 parsed_1o4x 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 215 . n . 215 . ca . 215 . cb . 215 . cg parsed_1o4x 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 120.0 . . 215 . ca . 215 . cb . 215 . cg . 215 . cd1 parsed_1o4x 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.0 -40.0 . . 220 . n . 220 . ca . 220 . cb . 220 . cg parsed_1o4x 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 220 . ca . 220 . cb . 220 . cg . 220 . cd parsed_1o4x 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 200.0 . . 220 . cb . 220 . cg . 220 . cd . 220 . ne parsed_1o4x 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 246 . n . 246 . ca . 246 . cb . 246 . cg parsed_1o4x 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -70.0 . . 246 . ca . 246 . cb . 246 . cg . 246 . cd1 parsed_1o4x 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 247 . n . 247 . ca . 247 . cb . 247 . cg parsed_1o4x 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 247 . ca . 247 . cb . 247 . cg . 247 . cd parsed_1o4x 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 247 . cb . 247 . cg . 247 . cd . 247 . ce parsed_1o4x 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 254 . n . 254 . ca . 254 . cb . 254 . cg parsed_1o4x 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 254 . ca . 254 . cb . 254 . cg . 254 . cd parsed_1o4x 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 200.0 . . 254 . cb . 254 . cg . 254 . cd . 254 . ce parsed_1o4x 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 258 . n . 258 . ca . 258 . cb . 258 . cg1 parsed_1o4x 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 258 . ca . 258 . cb . 258 . cg1 . 258 . cd1 parsed_1o4x 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 277 . n . 277 . ca . 277 . cb . 277 . cg parsed_1o4x 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 277 . ca . 277 . cb . 277 . cg . 277 . cd1 parsed_1o4x 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.0 -40.0 . . 281 . n . 281 . ca . 281 . cb . 281 . cg parsed_1o4x 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.0 -40.0 . . 282 . n . 282 . ca . 282 . cb . 282 . cg parsed_1o4x 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 223 . n . 223 . ca . 223 . cb . 223 . cg parsed_1o4x 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 224 . n . 224 . ca . 224 . cb . 224 . cg parsed_1o4x 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 224 . ca . 224 . cb . 224 . cg . 224 . cd parsed_1o4x 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 234 . n . 234 . ca . 234 . cb . 234 . cg parsed_1o4x 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 234 . ca . 234 . cb . 234 . cg . 234 . nd1 parsed_1o4x 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -50.0 . . 235 . n . 235 . ca . 235 . cb . 235 . cg parsed_1o4x 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.0 50.0 . . 235 . ca . 235 . cb . 235 . cg . 235 . od1 parsed_1o4x 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 236 . n . 236 . ca . 236 . cb . 236 . og parsed_1o4x 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 238 . n . 238 . ca . 238 . cb . 238 . cg1 parsed_1o4x 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 238 . ca . 238 . cb . 238 . cg1 . 238 . cd1 parsed_1o4x 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 239 . n . 239 . ca . 239 . cb . 239 . og parsed_1o4x 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 240 . n . 240 . ca . 240 . cb . 240 . cg parsed_1o4x 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 240 . ca . 240 . cb . 240 . cg . 240 . cd parsed_1o4x 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 240 . cb . 240 . cg . 240 . cd . 240 . ce parsed_1o4x 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 "R207 (=SRY R4)" 2 1 2 16 parsed_1o4x 1
2 "K209 (=K6 SRY)" 10 1 10 16 parsed_1o4x 1
3 "R210 (=R7 SRY)" 18 1 18 16 parsed_1o4x 1
4 "M212 (=M9 SRY)" 26 1 26 16 parsed_1o4x 1
5 "N213 (=N10 SRY)" 34 1 34 17 parsed_1o4x 1
6 "F215 (=F12 SRY)" 40 1 40 17 parsed_1o4x 1
7 "R220 (=R17 SRY)" 47 1 47 17 parsed_1o4x 1
8 "W246 (=W43 SRY)" 56 1 56 17 parsed_1o4x 1
9 "!K247 (=K44 SRY)" 64 1 64 18 parsed_1o4x 1
10 "K254 (=K51 SRY)" 73 1 73 17 parsed_1o4x 1
11 "I258 (=F55 SRY)" 82 1 82 17 parsed_1o4x 1
12 "Y277 (=Y74 SRY)" 89 1 89 17 parsed_1o4x 1
13 "R281 (= R78 SRY)" 95 1 95 18 parsed_1o4x 1
14 "K282 (= K79 SRY)" 99 1 99 18 parsed_1o4x 1
15
;
Below intercalation site
R223 (=R20 SRY)
;
105 1 107 17 parsed_1o4x 1
16 "R224 (=R21 SRY)" 111 1 111 17 parsed_1o4x 1
17 "H234 (=R231 SRY)" 118 1 118 18 parsed_1o4x 1
18 "N235 (=N32 SRY)" 125 1 125 17 parsed_1o4x 1
19 "S236 (=S33 SRY)" 133 1 133 17 parsed_1o4x 1
20 "I238 (=I35 SRY)" 138 1 138 17 parsed_1o4x 1
21 "S239 (=S36 SRY)" 145 1 145 17 parsed_1o4x 1
22 "K240 (=K37 SRY)" 151 1 151 17 parsed_1o4x 1
stop_
save_
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