NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
625946 |
6cfb   |
30409 | cing | 2-parsed | STAR | dihedral angle | 49 |
data_6cfb_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6cfb
_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_6cfb 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6cfb
_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 6cfb "Master copy" parsed_6cfb
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6cfb
_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 6cfb.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6cfb 1
1 6cfb.mr . . DYANA/DIANA 2 distance NOE simple 0 parsed_6cfb 1
1 6cfb.mr . . XPLOR/CNS 3 distance NOE simple 270 parsed_6cfb 1
1 6cfb.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 49 parsed_6cfb 1
1 6cfb.mr . . XPLOR/CNS 5 distance "hydrogen bond" ambi 0 parsed_6cfb 1
1 6cfb.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6cfb 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6cfb
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -103.9 -59.1 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_6cfb 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.8 143.8 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_6cfb 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 -85.8 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_6cfb 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.7 153.7 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_6cfb 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.6 -112.6 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_6cfb 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 129.7 169.7 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_6cfb 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.8 -101.2 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_6cfb 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.0 156.4 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_6cfb 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.2 -57.0 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_6cfb 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.4 159.0 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_6cfb 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.4 -51.0 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_6cfb 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.6 141.6 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_6cfb 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.3 -49.3 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_6cfb 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.9 -2.3 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_6cfb 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.1 -57.1 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_6cfb 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.6 -14.6 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_6cfb 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.1 -80.3 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_6cfb 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.7 -2.7 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_6cfb 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.8 -62.8 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_6cfb 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.4 143.4 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_6cfb 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.1 -94.3 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_6cfb 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.1 151.1 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_6cfb 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.7 -111.7 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_6cfb 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.3 174.5 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_6cfb 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.6 -95.2 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_6cfb 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 88.2 180.8 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_6cfb 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.8 -47.8 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_6cfb 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.9 170.3 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_6cfb 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -116.9 -37.7 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_6cfb 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.1 94.9 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_6cfb 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.4 98.6 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_6cfb 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.8 -51.0 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_6cfb 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 78.9 171.3 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_6cfb 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 5 . N . 5 . CA . 5 . CB . 5 . SG parsed_6cfb 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 7 . N . 7 . CA . 7 . CB . 7 . SG parsed_6cfb 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 18 . N . 18 . CA . 18 . CB . 18 . SG parsed_6cfb 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 23 . N . 23 . CA . 23 . CB . 23 . SG parsed_6cfb 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 10 . N . 10 . CA . 10 . CB . 10 . CG parsed_6cfb 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 21 . N . 21 . CA . 21 . CB . 21 . CG parsed_6cfb 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 8 . N . 8 . CA . 8 . CB . 8 . CG parsed_6cfb 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 17 . N . 17 . CA . 17 . CB . 17 . CG parsed_6cfb 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 19 . N . 19 . CA . 19 . CB . 19 . CG parsed_6cfb 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 22 . N . 22 . CA . 22 . CB . 22 . CG parsed_6cfb 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_6cfb 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_6cfb 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_6cfb 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_6cfb 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_6cfb 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_6cfb 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
;
!!! DIHEDRALS
5 c -81.508 123.843 11.225 8.906 0.597 0.851 25 13 Strong
;
1 1 3 73 parsed_6cfb 1
2 "6 F -110.401 133.735 12.295 7.262 0.544 0.890 25 15 Strong" 9 1 9 73 parsed_6cfb 1
3 "7 c -132.570 149.658 8.120 8.509 0.528 0.907 25 15 Strong" 15 1 15 73 parsed_6cfb 1
4 "8 V -124.045 134.727 11.386 10.842 0.462 0.867 25 15 Strong" 21 1 21 73 parsed_6cfb 1
5 "9 E -101.055 132.697 22.063 13.168 0.325 0.847 25 15 Strong" 27 1 27 73 parsed_6cfb 1
6 "10 D -77.747 121.619 13.358 9.883 0.258 0.837 25 15 Strong" 33 1 33 73 parsed_6cfb 1
7 "11 E -69.340 -25.564 7.947 11.647 0.190 0.833 25 15 Strong" 39 1 39 73 parsed_6cfb 1
8 "12 T -77.073 -35.101 9.030 10.245 0.159 0.762 25 15 Strong" 45 1 45 73 parsed_6cfb 1
9 "13 S -108.676 -22.736 14.211 9.997 0.152 0.603 25 14 Strong" 51 1 51 73 parsed_6cfb 1
10 "16 K -82.837 123.441 8.544 8.705 0.256 0.746 25 15 Strong" 57 1 57 73 parsed_6cfb 1
11 "17 T -117.247 131.127 11.454 8.087 0.394 0.831 25 15 Strong" 63 1 63 73 parsed_6cfb 1
12 "18 c -131.666 148.407 9.240 13.063 0.496 0.884 25 15 Strong" 69 1 69 73 parsed_6cfb 1
13 "19 V -126.912 134.516 15.829 23.140 1.041 0.848 25 13 Strong" 75 1 75 73 parsed_6cfb 1
14 "20 P -67.762 148.551 5.064 10.870 1.085 0.828 25 13 Strong" 81 1 81 73 parsed_6cfb 1
15 "21 D -77.271 -21.904 19.782 13.560 1.128 0.834 25 13 Strong" 87 1 87 73 parsed_6cfb 1
16
;
assign (resid 21 and name N ) (resid 21 and name CA )
(resid 21 and name C ) (resid 22 and name N ) 1.0 -21.9 27.1 2
22 N 44.905 31.555 40.643 22.327 1.410 0.866 25 15 Generous
;
90 1 93 75 parsed_6cfb 1
17
;
23 c -93.261 120.776 28.033 48.978 1.825 0.884 10 14 Generous
assign (resid 22 and name C ) (resid 23 and name N )
(resid 23 and name CA ) (resid 23 and name C ) 1.0 -93.3 84.1 2
assign (resid 23 and name N ) (resid 23 and name CA )
(resid 23 and name C ) (resid 24 and name N ) 1.0 120.8 105.0 2
24 D -75.926 125.110 12.474 23.098 1.251 0.791 25 13 Strong
;
99 1 105 73 parsed_6cfb 1
18 CHI1 115 1 115 6 parsed_6cfb 1
19 !Chi1 134 1 134 7 parsed_6cfb 1
20 "Based on TALOS+N" 146 1 146 18 parsed_6cfb 1
21 "Based on NOE patterns" 158 1 158 23 parsed_6cfb 1
stop_
save_
Contact the webmaster for help, if required. Friday, May 17, 2024 5:44:12 AM GMT (wattos1)