NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_dress | stage | program | type | item_count |
|
|
31328 |
1e5b   |
4623 | cing | dress | 2-parsed | STAR | dihedral angle | 40 |
data_1e5b_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1e5b
_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_1e5b 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1e5b
_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 1e5b "Master copy" parsed_1e5b
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1e5b
_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 1e5b.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1e5b 1
1 1e5b.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1e5b 1
1 1e5b.mr . . XPLOR/CNS 3 distance NOE simple 470 parsed_1e5b 1
1 1e5b.mr . . XPLOR/CNS 4 distance NOE simple 363 parsed_1e5b 1
1 1e5b.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 76 parsed_1e5b 1
1 1e5b.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1e5b 1
1 1e5b.mr . . XPLOR/CNS 7 distance NOE ambi 180 parsed_1e5b 1
1 1e5b.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_1e5b 1
1 1e5b.mr . . XPLOR/CNS 9 "dihedral angle" "Not applicable" "Not applicable" 59 parsed_1e5b 1
1 1e5b.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_1e5b 1
1 1e5b.mr . . XPLOR/CNS 11 "dihedral angle" "Not applicable" "Not applicable" 40 parsed_1e5b 1
1 1e5b.mr . . n/a 12 comment "Not applicable" "Not applicable" 0 parsed_1e5b 1
1 1e5b.mr . . "MR format" 13 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1e5b 1
stop_
save_
save_CNS/XPLOR_dihedral_11
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1e5b
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 11
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 210.0 . . 251 . N . 251 . CA . 251 . CB . 251 . CG1 parsed_1e5b 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 265 . N . 265 . CA . 265 . CB . 265 . CG1 parsed_1e5b 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 269 . N . 269 . CA . 269 . CB . 269 . CG1 parsed_1e5b 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 277 . N . 277 . CA . 277 . CB . 277 . CG1 parsed_1e5b 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 304 . N . 304 . CA . 304 . CB . 304 . CG1 parsed_1e5b 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 315 . N . 315 . CA . 315 . CB . 315 . CG1 parsed_1e5b 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 317 . N . 317 . CA . 317 . CB . 317 . CG1 parsed_1e5b 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 254 . N . 254 . CA . 254 . CB . 254 . OG1 parsed_1e5b 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 276 . N . 276 . CA . 276 . CB . 276 . OG1 parsed_1e5b 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 286 . N . 286 . CA . 286 . CB . 286 . OG1 parsed_1e5b 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 296 . N . 296 . CA . 296 . CB . 296 . OG1 parsed_1e5b 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 301 . N . 301 . CA . 301 . CB . 301 . OG1 parsed_1e5b 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 303 . N . 303 . CA . 303 . CB . 303 . OG1 parsed_1e5b 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 305 . N . 305 . CA . 305 . CB . 305 . OG1 parsed_1e5b 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 312 . N . 312 . CA . 312 . CB . 312 . OG1 parsed_1e5b 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 316 . N . 316 . CA . 316 . CB . 316 . OG1 parsed_1e5b 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 329 . N . 329 . CA . 329 . CB . 329 . OG1 parsed_1e5b 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 287 . N . 287 . CA . 287 . CB . 287 . CG1 parsed_1e5b 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 249 . N . 249 . CA . 249 . CB . 249 . SG parsed_1e5b 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 259 . N . 259 . CA . 259 . CB . 259 . CG parsed_1e5b 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 263 . N . 263 . CA . 263 . CB . 263 . CG parsed_1e5b 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -30.0 . . 264 . N . 264 . CA . 264 . CB . 264 . CG parsed_1e5b 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 267 . N . 267 . CA . 267 . CB . 267 . CG parsed_1e5b 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 275 . N . 275 . CA . 275 . CB . 275 . CG parsed_1e5b 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 282 . N . 282 . CA . 282 . CB . 282 . CG parsed_1e5b 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 90.0 . . 284 . N . 284 . CA . 284 . CB . 284 . OG parsed_1e5b 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 291 . N . 291 . CA . 291 . CB . 291 . CG parsed_1e5b 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 294 . N . 294 . CA . 294 . CB . 294 . CG parsed_1e5b 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 311 . N . 311 . CA . 311 . CB . 311 . CG parsed_1e5b 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 313 . N . 313 . CA . 313 . CB . 313 . CG parsed_1e5b 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 320 . N . 320 . CA . 320 . CB . 320 . CG parsed_1e5b 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 330 . N . 330 . CA . 330 . CB . 330 . SG parsed_1e5b 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 255 . N . 255 . CA . 255 . CB . 255 . CG parsed_1e5b 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 257 . N . 257 . CA . 257 . CB . 257 . CG parsed_1e5b 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 279 . N . 279 . CA . 279 . CB . 279 . CG parsed_1e5b 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 281 . N . 281 . CA . 281 . CB . 281 . CG parsed_1e5b 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 285 . N . 285 . CA . 285 . CB . 285 . CG parsed_1e5b 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 302 . N . 302 . CA . 302 . CB . 302 . CG parsed_1e5b 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 90.0 . . 318 . N . 318 . CA . 318 . CB . 318 . CG parsed_1e5b 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 90.0 . . 319 . N . 319 . CA . 319 . CB . 319 . CG parsed_1e5b 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 VALINES 1 1 1 9 parsed_1e5b 1
2 VAL 3 79 3 83 parsed_1e5b 1
3 VAL 5 80 5 84 parsed_1e5b 1
4 VAL 7 80 7 84 parsed_1e5b 1
5 VAL 9 80 9 84 parsed_1e5b 1
6 VAL 11 80 11 84 parsed_1e5b 1
7 VAL 13 80 13 84 parsed_1e5b 1
8
;
VAL
THREONINES
;
15 80 17 12 parsed_1e5b 1
9 THR 19 80 19 84 parsed_1e5b 1
10 THR 21 80 21 84 parsed_1e5b 1
11 THR 23 79 23 83 parsed_1e5b 1
12 THR 25 79 25 83 parsed_1e5b 1
13 THR 27 79 27 83 parsed_1e5b 1
14 THR 29 80 29 84 parsed_1e5b 1
15 THR 31 79 31 83 parsed_1e5b 1
16 THR 33 80 33 84 parsed_1e5b 1
17 THR 35 80 35 84 parsed_1e5b 1
18
;
THR
ISOLEUCINE
;
37 79 39 12 parsed_1e5b 1
19
;
ILE
AMX
;
41 79 43 5 parsed_1e5b 1
20 CYS 45 78 45 82 parsed_1e5b 1
21 TRP 47 78 47 82 parsed_1e5b 1
22 PHE 49 78 49 82 parsed_1e5b 1
23 ASN 51 80 51 84 parsed_1e5b 1
24 TYR 53 79 53 83 parsed_1e5b 1
25 TRP 55 78 55 82 parsed_1e5b 1
26 ASN 57 79 57 83 parsed_1e5b 1
27 SER 59 78 59 82 parsed_1e5b 1
28 TRP 61 78 61 82 parsed_1e5b 1
29 ASN 63 79 63 83 parsed_1e5b 1
30 ASN 65 79 65 83 parsed_1e5b 1
31 PHE 67 78 67 82 parsed_1e5b 1
32 ASN 69 79 69 83 parsed_1e5b 1
33
;
CYS
OTHERS
;
71 79 72 8 parsed_1e5b 1
34 ARG 74 79 74 83 parsed_1e5b 1
35 GLU 76 79 76 83 parsed_1e5b 1
36 LEU 78 79 78 83 parsed_1e5b 1
37 LEU 80 79 80 83 parsed_1e5b 1
38 GLN 82 79 82 83 parsed_1e5b 1
39 ARG 84 79 84 83 parsed_1e5b 1
40 MET 86 78 86 82 parsed_1e5b 1
41 LYS 88 78 88 82 parsed_1e5b 1
stop_
save_
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