NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
611246 |
5h7p   |
cing | 2-parsed | STAR | dihedral angle | 28 |
data_5h7p_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5h7p
_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_5h7p 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5h7p
_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 5h7p "Master copy" parsed_5h7p
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5h7p
_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 5h7p.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5h7p 1
1 5h7p.mr . . XPLOR/CNS 2 distance "hydrogen bond" simple 26 parsed_5h7p 1
1 5h7p.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 28 parsed_5h7p 1
1 5h7p.mr . . XPLOR/CNS 4 distance NOE ambi 0 parsed_5h7p 1
1 5h7p.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 0 parsed_5h7p 1
1 5h7p.mr . . XPLOR/CNS 6 distance NOE ambi 0 parsed_5h7p 1
1 5h7p.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_5h7p 1
1 5h7p.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5h7p 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5h7p
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -68 . DID 176 . c DID 177 . n DID 177 . ca DID 177 . c parsed_5h7p 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114 154 . DID 177 . n DID 177 . ca DID 177 . c DID 178 . n parsed_5h7p 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81 -51 . DID 186 . c DID 187 . n DID 187 . ca DID 187 . c parsed_5h7p 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56 -28 . DID 187 . n DID 187 . ca DID 187 . c DID 188 . n parsed_5h7p 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75 -55 . DID 187 . c DID 188 . n DID 188 . ca DID 188 . c parsed_5h7p 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44 -26 . DID 188 . n DID 188 . ca DID 188 . c DID 189 . n parsed_5h7p 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78 -56 . DID 188 . c DID 189 . n DID 189 . ca DID 189 . c parsed_5h7p 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50 -28 . DID 189 . n DID 189 . ca DID 189 . c DID 190 . n parsed_5h7p 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69 -59 . DID 189 . c DID 190 . n DID 190 . ca DID 190 . c parsed_5h7p 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48 -28 . DID 190 . n DID 190 . ca DID 190 . c DID 191 . n parsed_5h7p 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75 -55 . DID 190 . c DID 191 . n DID 191 . ca DID 191 . c parsed_5h7p 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57 -11 . DID 191 . n DID 191 . ca DID 191 . c DID 192 . n parsed_5h7p 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82 -58 . DID 191 . c DID 192 . n DID 192 . ca DID 192 . c parsed_5h7p 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50 -28 . DID 192 . n DID 192 . ca DID 192 . c DID 193 . n parsed_5h7p 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75 -53 . DID 192 . c DID 193 . n DID 193 . ca DID 193 . c parsed_5h7p 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53 -27 . DID 193 . n DID 193 . ca DID 193 . c DID 194 . n parsed_5h7p 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82 -54 . DID 193 . c DID 194 . n DID 194 . ca DID 194 . c parsed_5h7p 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47 -21 . DID 194 . n DID 194 . ca DID 194 . c DID 195 . n parsed_5h7p 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87 -55 . DID 194 . c DID 195 . n DID 195 . ca DID 195 . c parsed_5h7p 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51 -5 . DID 195 . n DID 195 . ca DID 195 . c DID 196 . n parsed_5h7p 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93 -55 . DID 195 . c DID 196 . n DID 196 . ca DID 196 . c parsed_5h7p 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48 8 . DID 196 . n DID 196 . ca DID 196 . c DID 197 . n parsed_5h7p 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82 -66 . DID 196 . c DID 197 . n DID 197 . ca DID 197 . c parsed_5h7p 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -34 -10 . DID 197 . n DID 197 . ca DID 197 . c DID 198 . n parsed_5h7p 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -66 . DID 200 . c DID 201 . n DID 201 . ca DID 201 . c parsed_5h7p 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49 -29 . DID 201 . n DID 201 . ca DID 201 . c DID 202 . n parsed_5h7p 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102 -88 . DID 202 . c DID 203 . n DID 203 . ca DID 203 . c parsed_5h7p 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -17 11 . DID 203 . n DID 203 . ca DID 203 . c DID 204 . n parsed_5h7p 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 PHI 9 102 9 107 parsed_5h7p 1
2
;
Two angles Phi and Psi generated from rama.tcl (in talos)
rama.tcl -in vta1NTD_talos.tab
N176
V177
;
2 1 8 7 parsed_5h7p 1
3 PSI 12 102 12 107 parsed_5h7p 1
4 V187 16 1 16 7 parsed_5h7p 1
5 D188 23 1 23 7 parsed_5h7p 1
6 D189 30 1 30 7 parsed_5h7p 1
7 E190 37 1 37 7 parsed_5h7p 1
8 K191 44 1 44 7 parsed_5h7p 1
9 E192 51 1 51 7 parsed_5h7p 1
10 D193 58 1 58 7 parsed_5h7p 1
11 K194 65 1 65 6 parsed_5h7p 1
12 L195 72 1 72 7 parsed_5h7p 1
13 A196 78 1 78 7 parsed_5h7p 1
14 Q197 84 1 84 7 parsed_5h7p 1
15
;
R198
assign ( segid DID and resid 197 and name c ) ( segid DID and resid 198 and name n )
( segid DID and resid 198 and name ca) ( segid DID and resid 198 and name c ) 1.0 -100 42 2
assign ( segid DID and resid 198 and name n ) ( segid DID and resid 198 and name ca )
( segid DID and resid 198 and name c) ( segid DID and resid 199 and name n ) 1.0 141 17 2
L199
assign ( segid DID and resid 198 and name c ) ( segid DID and resid 199 and name n )
( segid DID and resid 199 and name ca) ( segid DID and resid 199 and name c ) 1.0 -75 13 2
assign ( segid DID and resid 199 and name n ) ( segid DID and resid 199 and name ca )
( segid DID and resid 199 and name c) ( segid DID and resid 200 and name n ) 1.0 -138 10 2
R200
assign ( segid DID and resid 199 and name c ) ( segid DID and resid 200 and name n )
( segid DID and resid 200 and name ca) ( segid DID and resid 200 and name c ) 1.0 -65 4 2
assign ( segid DID and resid 200 and name n ) ( segid DID and resid 200 and name ca )
( segid DID and resid 200 and name c) ( segid DID and resid 201 and name n ) 1.0 -40 7 2
A201
;
93 1 120 7 parsed_5h7p 1
16
;
L202
assign ( segid DID and resid 201 and name c ) ( segid DID and resid 202 and name n )
( segid DID and resid 202 and name ca) ( segid DID and resid 202 and name c ) 1.0 -66 6 2
assign ( segid DID and resid 202 and name n ) ( segid DID and resid 202 and name ca )
( segid DID and resid 202 and name c) ( segid DID and resid 203 and name n ) 1.0 -32 4 2
R203
;
131 1 143 7 parsed_5h7p 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 2: bDid2_talos_dihed.tbl" 1 1 1 42 parsed_5h7p 1
stop_
save_
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