NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
601415 |
5i1r   |
30008 | cing | 2-parsed | STAR | dihedral angle | 25 |
data_5i1r_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5i1r
_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_5i1r 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5i1r
_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 5i1r "Master copy" parsed_5i1r
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5i1r
_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 5i1r.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5i1r 1
1 5i1r.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 25 parsed_5i1r 1
1 5i1r.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_5i1r 1
1 5i1r.mr . . unknown 4 unknown "Not applicable" "Not applicable" 0 parsed_5i1r 1
1 5i1r.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5i1r 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5i1r
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.00 -53.00 . . 387 . C . 388 . N . 388 . CA . 388 . C parsed_5i1r 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.00 -65.00 . . 388 . C . 389 . N . 389 . CA . 389 . C parsed_5i1r 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.00 -67.00 . . 389 . C . 390 . N . 390 . CA . 390 . C parsed_5i1r 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -161.00 -81.00 . . 390 . C . 391 . N . 391 . CA . 391 . C parsed_5i1r 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.00 165.00 . . 388 . N . 388 . CA . 388 . C . 389 . N parsed_5i1r 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.00 155.00 . . 389 . N . 389 . CA . 389 . C . 390 . N parsed_5i1r 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.00 160.00 . . 390 . N . 390 . CA . 390 . C . 391 . N parsed_5i1r 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -50.00 . . 406 . C . 407 . N . 407 . CA . 407 . C parsed_5i1r 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.00 -35.00 . . 407 . C . 408 . N . 408 . CA . 408 . C parsed_5i1r 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -50.00 . . 408 . C . 409 . N . 409 . CA . 409 . C parsed_5i1r 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.00 -45.00 . . 409 . C . 410 . N . 410 . CA . 410 . C parsed_5i1r 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.00 175.00 . . 407 . N . 407 . CA . 407 . C . 408 . N parsed_5i1r 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.00 180.00 . . 408 . N . 408 . CA . 408 . C . 409 . N parsed_5i1r 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.00 165.00 . . 409 . N . 409 . CA . 409 . C . 410 . N parsed_5i1r 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.00 165.00 . . 410 . N . 410 . CA . 410 . C . 411 . N parsed_5i1r 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.00 -75.00 . . 426 . C . 427 . N . 427 . CA . 427 . C parsed_5i1r 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . . 427 . C . 428 . N . 428 . CA . 428 . C parsed_5i1r 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -20.00 . . 428 . C . 429 . N . 429 . CA . 429 . C parsed_5i1r 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -50.00 . . 429 . C . 430 . N . 430 . CA . 430 . C parsed_5i1r 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.00 -45.00 . . 430 . C . 431 . N . 431 . CA . 431 . C parsed_5i1r 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -25.00 175.00 . . 427 . N . 427 . CA . 427 . C . 428 . N parsed_5i1r 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 170.00 . . 428 . N . 428 . CA . 428 . C . 429 . N parsed_5i1r 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 78.90 163.80 . . 429 . N . 429 . CA . 429 . C . 430 . N parsed_5i1r 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.70 161.80 . . 430 . N . 430 . CA . 430 . C . 431 . N parsed_5i1r 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.70 163.90 . . 431 . N . 431 . CA . 431 . C . 432 . N parsed_5i1r 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
;
N-tail
################################################
PHI restraints
;
2 1 4 17 parsed_5i1r 1
2 "PSI restraints" 31 1 31 17 parsed_5i1r 1
3
;
Linker
################################################
PHI restraints -linker
;
51 1 54 25 parsed_5i1r 1
4 "PSI restraints" 81 1 81 17 parsed_5i1r 1
5
;
C-tail
################################################
PHI restraints
;
108 1 112 17 parsed_5i1r 1
6 "PSI restraints" 144 1 144 17 parsed_5i1r 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 "# Restraints file 1: NCp7_dihe.tbl" 1 1 1 34 parsed_5i1r 1
stop_
save_
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