Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
613719 | 5u4k RC | 26867 | cing | 2-parsed | STAR | dihedral angle | 37 |
data_5u4k_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5u4k
_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_5u4k 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5u4k
_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 5u4k "Master copy" parsed_5u4k
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5u4k
_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 5u4k.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5u4k 1
1 5u4k.mr . . XPLOR/CNS 2 distance NOE ambi 1327 parsed_5u4k 1
1 5u4k.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 37 parsed_5u4k 1
1 5u4k.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_5u4k 1
1 5u4k.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5u4k 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5u4k
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.0 -6.0 . " p65" 532 . N " p65" 532 . CA " p65" 532 . C " p65" 533 . N parsed_5u4k 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.0 -51.0 . " p65" 532 . C " p65" 533 . N " p65" 533 . CA " p65" 533 . C parsed_5u4k 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 -10.0 . " p65" 533 . N " p65" 533 . CA " p65" 533 . C " p65" 534 . N parsed_5u4k 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.0 -50.0 . " p65" 533 . C " p65" 534 . N " p65" 534 . CA " p65" 534 . C parsed_5u4k 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.0 -13.0 . " p65" 534 . N " p65" 534 . CA " p65" 534 . C " p65" 535 . N parsed_5u4k 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -45.0 . " p65" 534 . C " p65" 535 . N " p65" 535 . CA " p65" 535 . C parsed_5u4k 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -16.0 . " p65" 535 . N " p65" 535 . CA " p65" 535 . C " p65" 536 . N parsed_5u4k 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.0 -49.0 . " p65" 535 . C " p65" 536 . N " p65" 536 . CA " p65" 536 . C parsed_5u4k 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.0 -16.0 . " p65" 536 . N " p65" 536 . CA " p65" 536 . C " p65" 537 . N parsed_5u4k 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.0 -48.0 . " p65" 536 . C " p65" 537 . N " p65" 537 . CA " p65" 537 . C parsed_5u4k 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.0 -14.0 . " p65" 537 . N " p65" 537 . CA " p65" 537 . C " p65" 538 . N parsed_5u4k 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.0 -45.0 . " p65" 537 . C " p65" 538 . N " p65" 538 . CA " p65" 538 . C parsed_5u4k 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.0 -12.0 . " p65" 538 . N " p65" 538 . CA " p65" 538 . C " p65" 539 . N parsed_5u4k 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.0 -55.0 . " p65" 538 . C " p65" 539 . N " p65" 539 . CA " p65" 539 . C parsed_5u4k 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.0 1.0 . " p65" 539 . N " p65" 539 . CA " p65" 539 . C " p65" 540 . N parsed_5u4k 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113.0 -53.0 . " p65" 539 . C " p65" 540 . N " p65" 540 . CA " p65" 540 . C parsed_5u4k 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.0 -1.0 . " p65" 540 . N " p65" 540 . CA " p65" 540 . C " p65" 541 . N parsed_5u4k 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.7 -55.7 . " p65" 540 . C " p65" 541 . N " p65" 541 . CA " p65" 541 . C parsed_5u4k 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -20.0 . " p65" 541 . N " p65" 541 . CA " p65" 541 . C " p65" 542 . N parsed_5u4k 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -47.0 . " p65" 541 . C " p65" 542 . N " p65" 542 . CA " p65" 542 . C parsed_5u4k 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 -10.0 . " p65" 542 . N " p65" 542 . CA " p65" 542 . C " p65" 543 . N parsed_5u4k 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.0 -45.0 . " p65" 542 . C " p65" 543 . N " p65" 543 . CA " p65" 543 . C parsed_5u4k 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.0 -23.0 . " p65" 543 . N " p65" 543 . CA " p65" 543 . C " p65" 544 . N parsed_5u4k 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.0 -48.0 . " p65" 543 . C " p65" 544 . N " p65" 544 . CA " p65" 544 . C parsed_5u4k 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 -23.0 . " p65" 544 . N " p65" 544 . CA " p65" 544 . C " p65" 545 . N parsed_5u4k 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -45.0 . " p65" 544 . C " p65" 545 . N " p65" 545 . CA " p65" 545 . C parsed_5u4k 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 -15.0 . " p65" 545 . N " p65" 545 . CA " p65" 545 . C " p65" 546 . N parsed_5u4k 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -49.0 . " p65" 545 . C " p65" 546 . N " p65" 546 . CA " p65" 546 . C parsed_5u4k 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.0 -12.0 . " p65" 546 . N " p65" 546 . CA " p65" 546 . C " p65" 547 . N parsed_5u4k 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -45.0 . " p65" 546 . C " p65" 547 . N " p65" 547 . CA " p65" 547 . C parsed_5u4k 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.0 -17.0 . " p65" 547 . N " p65" 547 . CA " p65" 547 . C " p65" 548 . N parsed_5u4k 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.0 -56.0 . " p65" 547 . C " p65" 548 . N " p65" 548 . CA " p65" 548 . C parsed_5u4k 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.0 -12.0 . " p65" 548 . N " p65" 548 . CA " p65" 548 . C " p65" 549 . N parsed_5u4k 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.4 -64.4 . " p65" 548 . C " p65" 549 . N " p65" 549 . CA " p65" 549 . C parsed_5u4k 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.6 3.4 . " p65" 549 . N " p65" 549 . CA " p65" 549 . C " p65" 550 . N parsed_5u4k 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.9 -63.3 . " p65" 549 . C " p65" 550 . N " p65" 550 . CA " p65" 550 . C parsed_5u4k 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -41.7 12.1 . " p65" 550 . N " p65" 550 . CA " p65" 550 . C " p65" 551 . N parsed_5u4k 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 4: dihedrals_p65.tbl" 1 1 1 38 parsed_5u4k 1
stop_
save_