BMRB

NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type subtype subsubtype
579480 2mnz RC 19914 cing 1-original 1 XPLOR/CNS distance hydrogen bond simple


! inter-Hbnds for beta sheet

assign (segid PHD and resid  319 and name hn) 
       (segid H3K and resid  6 and name o) 2.0 0.4 2.5
assign (segid PHD and resid  319 and name  n) 
       (segid H3K and resid  6 and name o) 3.0 0.4 0.7

assign (segid H3K and resid  6 and name hn) 
       (segid PHD and resid  319 and name o) 2.0 0.4 1.2
assign (segid H3K and resid  6 and name  n) 
       (segid PHD and resid  319 and name o) 3.0 0.4 1.0

assign (segid PHD and resid  324 and name hn) 
       (segid H3K and resid  4 and name o) 2.0 0.4 1.8
assign (segid PHD and resid  324 and name  n) 
       (segid H3K and resid  4 and name o) 3.0 0.4 1.5

assign (segid H3K and resid  4 and name hn) 
       (segid PHD and resid  324 and name o) 2.0 0.4 0.8
assign (segid H3K and resid  4 and name  n) 
       (segid PHD and resid  324 and name o) 3.0 0.4 0.5


assign (segid PHD and resid  326 and name hn) 
       (segid H3K and resid  2 and name o) 2.0 0.4 0.5
assign (segid PHD and resid  326 and name  n) 
       (segid H3K and resid  2 and name o) 3.0 0.4 0.5

assign (segid H3K and resid  2 and name hn) 
       (segid PHD and resid  326 and name o) 2.0 0.4 0.5
assign (segid H3K and resid  2 and name  n) 
       (segid PHD and resid  326 and name o) 3.0 0.4 0.5



! inter Hbnds for interaction

! to A1

assign (segid H3K and resid  1 and name  n) 
       (segid PHD and resid  347 and name o) 3.0 0.4 0.5
assign (segid H3K and resid  1 and name  n) 
       (segid PHD and resid  349 and name o) 3.0 0.4 0.5


! to R2

assign (segid H3K and resid  2 and name nh2) 
       (segid PHD and resid 328 and name od1) 3.0 0.4 0.5
assign (segid H3K and resid  2 and name hh2#) 
       (segid PHD and resid 328 and name od1) 2.0 0.4 0.5



! to T3

assign (segid H3K and resid  3 and name hg1) 
       (segid PHD and resid  321 and name o) 2.0 0.4 0.5
assign (segid H3K and resid  3 and name og1) 
       (segid PHD and resid  321 and name o) 3.0 0.4 0.5




! to K4

assign (segid H3K and resid  4 and name  nz) 
       (segid PHD and resid 308 and (name od1 or name od2)) 3.0 0.4 0.5
assign (segid H3K and resid  4 and name  hz#) 
       (segid PHD and resid 308 and (name od1 or name od2)) 2.0 0.4 0.5






REMARK TALOS Results for ref.pdb


! beta sheet


assign (segid PHD and resid  327 and name hn) (segid PHD and resid  332 and name o) 2.0 0.4 0.5
assign (segid PHD and resid  327 and name  n) (segid PHD and resid  332 and name o) 3.0 0.4 0.5

! assign (segid PHD and resid  332 and name hn) (segid PHD and resid  327 and name o) 2.0 0.4 0.5
assign (segid PHD and resid  332 and name  n) (segid PHD and resid  327 and name o) 3.0 0.4 1.2



assign (segid PHD and resid  334 and name hn) (segid PHD and resid  325 and name o) 2.0 0.4 0.5    
assign (segid PHD and resid  334 and name  n) (segid PHD and resid  325 and name o) 3.0 0.4 0.5

! H-D exchange confirmed

assign (segid PHD and resid  325 and name hn) (segid PHD and resid  334 and name o) 2.0 0.4 0.5
assign (segid PHD and resid  325 and name  n) (segid PHD and resid  334 and name o) 3.0 0.4 0.5

! H-D exchange confirmed




! alpha helix

! C338
assign (segid PHD and resid  338 and name hn) (segid PHD and resid  335 and name o) 2.0 0.4 0.5
assign (segid PHD and resid  338 and name  n) (segid PHD and resid  335 and name o) 3.0 0.4 0.5

!C 356
assign (segid PHD and resid  356 and name hn) (segid PHD and resid  353 and name o) 2.0 0.4 0.5
assign (segid PHD and resid  356 and name  n) (segid PHD and resid  353 and name o) 3.0 0.4 0.5

!L 357
assign (segid PHD and resid  357 and name hn) (segid PHD and resid  354 and name o) 2.0 0.4 0.5
assign (segid PHD and resid  357 and name  n) (segid PHD and resid  354 and name o) 3.0 0.4 0.5


! Hbnd determination based on H-D exchange exps

!assign (segid PHD and resid  312 and name hn) (segid PHD and resid  317 and name o) 3.0 0.4 0.5
!assign (segid PHD and resid  312 and name  n) (segid PHD and resid  317 and name o) 4.0 0.4 0.5

assign (segid PHD and resid  313 and name hn) (segid PHD and resid  333 and name o) 2.0 0.4 0.5
assign (segid PHD and resid  313 and name  n) (segid PHD and resid  333 and name o) 3.0 0.4 0.5

assign (segid PHD and resid  315 and name hn) (segid PHD and resid  312 and name o) 2.0 0.4 0.5
assign (segid PHD and resid  315 and name  n) (segid PHD and resid  312 and name o) 3.0 0.4 0.5

assign (segid PHD and resid  327 and name hn) (segid PHD and resid  332 and name o) 2.0 0.4 0.5
assign (segid PHD and resid  327 and name  n) (segid PHD and resid  332 and name o) 3.0 0.4 0.5