NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
49963 |
2jxd   |
15555 | cing | 2-parsed | STAR | dihedral angle | 32 |
data_2jxd_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2jxd
_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_2jxd 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2jxd
_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 2jxd "Master copy" parsed_2jxd
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2jxd
_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 2jxd.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2jxd 1
1 2jxd.mr . . XPLOR/CNS 2 distance NOE simple 125 parsed_2jxd 1
1 2jxd.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_2jxd 1
1 2jxd.mr . . XPLOR/CNS 4 distance NOE simple 624 parsed_2jxd 1
1 2jxd.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_2jxd 1
1 2jxd.mr . . XPLOR/CNS 6 distance NOE simple 45 parsed_2jxd 1
1 2jxd.mr . . XPLOR/CNS 7 distance "hydrogen bond" simple 20 parsed_2jxd 1
1 2jxd.mr . . XPLOR/CNS 8 distance "general distance" simple 3 parsed_2jxd 1
1 2jxd.mr . . XPLOR/CNS 9 "dihedral angle" "Not applicable" "Not applicable" 32 parsed_2jxd 1
1 2jxd.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_2jxd 1
1 2jxd.mr . . "MR format" 11 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2jxd 1
stop_
save_
save_CNS/XPLOR_dihedral_9
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2jxd
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 9
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.42 -80.02 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_2jxd 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.17 -66.81 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_2jxd 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.53 -97.33 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_2jxd 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -116.06 -38.62 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_2jxd 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.51 -23.91 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_2jxd 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.14 -105.74 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_2jxd 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.84 -99.04 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_2jxd 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.12 -64.48 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_2jxd 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -186.56 -63.00 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_2jxd 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.86 -76.50 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_2jxd 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.28 -70.96 . . 36 . C . 37 . N . 37 . CA . 37 . C parsed_2jxd 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.24 -50.28 . . 46 . C . 47 . N . 47 . CA . 47 . C parsed_2jxd 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.70 -52.98 . . 47 . C . 48 . N . 48 . CA . 48 . C parsed_2jxd 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.20 -51.80 . . 51 . C . 52 . N . 52 . CA . 52 . C parsed_2jxd 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.79 -70.35 . . 54 . C . 55 . N . 55 . CA . 55 . C parsed_2jxd 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -178.26 -121.82 . . 57 . C . 58 . N . 58 . CA . 58 . C parsed_2jxd 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.99 161.91 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_2jxd 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 73.54 157.26 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_2jxd 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.32 181.84 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_2jxd 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.00 158.68 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_2jxd 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 82.41 169.65 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_2jxd 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.05 174.05 . . 29 . N . 29 . CA . 29 . C . 30 . N parsed_2jxd 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.59 168.67 . . 30 . N . 30 . CA . 30 . C . 31 . N parsed_2jxd 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.00 177.32 . . 31 . N . 31 . CA . 31 . C . 32 . N parsed_2jxd 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.27 186.15 . . 35 . N . 35 . CA . 35 . C . 36 . N parsed_2jxd 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.47 138.11 . . 36 . N . 36 . CA . 36 . C . 37 . N parsed_2jxd 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.06 187.34 . . 37 . N . 37 . CA . 37 . C . 38 . N parsed_2jxd 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.99 -10.03 . . 47 . N . 47 . CA . 47 . C . 48 . N parsed_2jxd 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.98 23.30 . . 48 . N . 48 . CA . 48 . C . 49 . N parsed_2jxd 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 75.01 186.69 . . 52 . N . 52 . CA . 52 . C . 53 . N parsed_2jxd 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.44 194.00 . . 55 . N . 55 . CA . 55 . C . 56 . N parsed_2jxd 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.34 194.14 . . 58 . N . 58 . CA . 58 . C . 59 . N parsed_2jxd 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 "1. R 10 Phi -115.22 +/- 35.20 (-150.42 to -80.02)" 1 1 1 52 parsed_2jxd 1
2 "2. T 11 Phi -101.99 +/- 35.18 (-137.17 to -66.81)" 4 1 4 52 parsed_2jxd 1
3 "3. C 22 Phi -128.43 +/- 31.10 (-159.53 to -97.33)" 7 1 7 52 parsed_2jxd 1
4 "4. P 23 Phi -77.34 +/- 38.72 (-116.06 to -38.62)" 10 1 10 51 parsed_2jxd 1
5 "5. N 27 Phi -91.71 +/- 67.80 (-159.51 to -23.91)" 13 1 13 51 parsed_2jxd 1
6 "6. V 29 Phi -133.94 +/- 28.20 (-162.14 to -105.74)" 16 1 16 53 parsed_2jxd 1
7 "7. C 30 Phi -128.94 +/- 29.90 (-158.84 to -99.04)" 19 1 19 52 parsed_2jxd 1
8 "8. G 31 Phi -110.80 +/- 46.32 (-157.12 to -64.48)" 22 1 22 52 parsed_2jxd 1
9 "9. S 35 Phi -124.78 +/- 61.78 (-186.56 to -63.00)" 25 1 25 52 parsed_2jxd 1
10 "10. T 36 Phi -105.18 +/- 28.68 (-133.86 to -76.50)" 28 1 28 53 parsed_2jxd 1
11 "11. Y 37 Phi -110.12 +/- 39.16 (-149.28 to -70.96)" 31 1 31 53 parsed_2jxd 1
12 "12. I 47 Phi -60.76 +/- 10.48 (-71.24 to -50.28)" 34 1 34 51 parsed_2jxd 1
13 "13. R 48 Phi -81.34 +/- 28.36 (-109.70 to -52.98)" 37 1 37 52 parsed_2jxd 1
14 "14. H 52 Phi -101.00 +/- 49.20 (-150.20 to -51.80)" 40 1 40 53 parsed_2jxd 1
15 "15. K 55 Phi -118.07 +/- 47.72 (-165.79 to -70.35)" 43 1 43 53 parsed_2jxd 1
16 "16. R 58 Phi -150.04 +/- 28.22 (-178.26 to -121.82)" 46 1 46 54 parsed_2jxd 1
17 "17. R 10 Psi 125.95 +/- 35.96 (89.99 to 161.91)" 49 1 49 50 parsed_2jxd 1
18 "18. T 11 Psi 115.40 +/- 41.86 (73.54 to 157.26)" 52 1 52 50 parsed_2jxd 1
19 "19. C 22 Psi 147.58 +/- 34.26 (113.32 to 181.84)" 55 1 55 51 parsed_2jxd 1
20 "20. P 23 Psi 138.84 +/- 19.84 (119.00 to 158.68)" 58 1 58 51 parsed_2jxd 1
21 "21. N 27 Psi 126.03 +/- 43.62 (82.41 to 169.65)" 61 1 61 50 parsed_2jxd 1
22 "22. V 29 Psi 148.55 +/- 25.50 (123.05 to 174.05)" 64 1 64 51 parsed_2jxd 1
23 "23. C 30 Psi 143.63 +/- 25.04 (118.59 to 168.67)" 67 1 67 51 parsed_2jxd 1
24 "24. G 31 Psi 143.66 +/- 33.66 (110.00 to 177.32)" 70 1 70 51 parsed_2jxd 1
25 "25. S 35 Psi 144.21 +/- 41.94 (102.27 to 186.15)" 73 1 73 51 parsed_2jxd 1
26 "26. T 36 Psi 116.79 +/- 21.32 (95.47 to 138.11)" 76 1 76 50 parsed_2jxd 1
27 "27. Y 37 Psi 138.20 +/- 49.14 (89.06 to 187.34)" 79 1 79 50 parsed_2jxd 1
28 "28. I 47 Psi -29.51 +/- 19.48 (-48.99 to -10.03)" 82 1 82 51 parsed_2jxd 1
29 "29. R 48 Psi -7.34 +/- 30.64 (-37.98 to 23.30)" 85 1 85 49 parsed_2jxd 1
30 "30. H 52 Psi 130.85 +/- 55.84 (75.01 to 186.69)" 88 1 88 50 parsed_2jxd 1
31 "31. K 55 Psi 150.22 +/- 43.78 (106.44 to 194.00)" 91 1 91 51 parsed_2jxd 1
32 "32. R 58 Psi 162.24 +/- 31.90 (130.34 to 194.14)" 94 1 94 51 parsed_2jxd 1
stop_
save_
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