NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing in_recoord stage position program type subtype subsubtype
3238 1dcj 4819 cing recoord 1-original 3 XPLOR/CNS distance hydrogen bond simple


!!!!!!!!!!!!!!!!!!!!!!!!
!! H-bond constraints !!
!!!!!!!!!!!!!!!!!!!!!!!!
!!b1-strand to b2-strand:
!H10 to T38
assign  (resid  10 and name n)(resid  38 and name o) 3.3 0.8 0.2
assign  (resid  10 and name hn)(resid  38 and name o) 2.3 0.8 0.2
!L12 to L40
assign  (resid  12 and name n)(resid  40 and name o)  3.3 0.8 0.2
assign  (resid  12 and name hn)(resid  40 and name o)  2.3 0.8 0.2
!A14 to I42
assign  (resid  14 and name n)(resid  42 and name o)  3.3 0.8 0.2
assign  (resid  14 and name hn)(resid  42 and name o)  2.3 0.8 0.2

!!b2-strand to b1 strand
!L40 to H10
assign  (resid  40 and name n)(resid  10 and name o)  3.3 0.8 0.2
assign  (resid  40 and name hn)(resid  10 and name o)  2.3 0.8 0.2
!I42 to L12
assign  (resid  42 and name n)(resid  12 and name o)  3.3 0.8 0.2
assign  (resid  42 and name hn)(resid  12 and name o)  2.3 0.8 0.2
!D44 to A14
assign  (resid  44 and name n)(resid  14 and name o)  3.3 0.8 0.2
assign  (resid  44 and name hn)(resid  14 and name o)  2.3 0.8 0.2

!D45 to A14
assign  (resid  45 and name n)(resid  14 and name o)  3.3 0.8 0.2
assign  (resid  45 and name hn)(resid  14 and name o)  2.3 0.8 0.2

!! b2-strand to b4-strand
!E37 to K79
assign  (resid  37 and name n)(resid  79 and name o)  3.3 0.8 0.2
assign  (resid  37 and name hn)(resid  79 and name o)  2.3 0.8 0.2
!L39 to I77
assign  (resid  39 and name n)(resid  77 and name o)  3.3 0.8 0.2
assign  (resid  39 and name hn)(resid  77 and name o)  2.3 0.8 0.2
!I41 to Y75
assign  (resid  41 and name n)(resid  75 and name o)  3.3 0.8 0.2
assign  (resid  41 and name hn)(resid  75 and name o)  2.3 0.8 0.2
!A43 to Y73
assign  (resid  43 and name n)(resid  73 and name o)  3.3 0.8 0.2
assign  (resid  43 and name hn)(resid  73 and name o)  2.3 0.8 0.2

!! b4-strand to b2-strand
!Y73 to A43
assign  (resid  73 and name n)(resid  43 and name o)  3.3 0.8 0.2
assign  (resid  73 and name hn)(resid  43 and name o)  2.3 0.8 0.2
!Y75 to I41
assign  (resid  75 and name n)(resid  41 and name o)  3.3 0.8 0.2
assign  (resid  75 and name hn)(resid  41 and name o)  2.3 0.8 0.2
!I77 to L39
assign  (resid  77 and name n)(resid  39 and name o)  3.3 0.8 0.2
assign  (resid  77 and name hn)(resid  39 and name o)  2.3 0.8 0.2
!K79 to E37
assign  (resid  79 and name n)(resid  37 and name o)  3.3 0.8 0.2
assign  (resid  79 and name hn)(resid  37 and name o)  2.3 0.8 0.2

!! B4-strand to b3-strand
!R74 to E67
assign  (resid  74 and name n)(resid  67 and name o)  3.3 0.8 0.2
assign  (resid  74 and name hn)(resid  67 and name o)  2.3 0.8 0.2
!!L76 to A65
assign  (resid  76 and name n)(resid  65 and name o)  3.3 0.8 0.2
assign  (resid  76 and name hn)(resid  65 and name o)  2.3 0.8 0.2

!! b3-strand to b4-strand
!A65 to L76
assign  (resid  65 and name n)(resid  76 and name o)  3.3 0.8 0.2
assign  (resid  65 and name hn)(resid  76 and name o)  2.3 0.8 0.2
!E67 to R74
assign  (resid  67 and name n)(resid  74 and name o)  3.3 0.8 0.2
assign  (resid  67 and name hn)(resid  74 and name o)  2.3 0.8 0.2

!V64 to L76
assign  (resid  64 and name n)(resid  76 and name o)  3.3 0.8 0.2
assign  (resid  64 and name hn)(resid  76 and name o)  2.3 0.8 0.2

!! a1-helix
!M25 to E21
assign  (resid  25 and name n)(resid 21 and name o) 3.3 0.8 0.2
assign  (resid  25 and name hn)(resid 21 and name o) 2.3 0.8 0.2
!V26 to P22
assign  (resid  26 and name n)(resid 22 and name o) 3.3 0.8 0.2
assign  (resid  26 and name hn)(resid 22 and name o) 2.3 0.8 0.2
!R27 to V23
assign  (resid  27 and name n)(resid 23 and name o) 3.3 0.8 0.2
assign  (resid  27 and name hn)(resid 23 and name o) 2.3 0.8 0.2
!T29 to M25
assign  (resid  29 and name n)(resid 25 and name o) 3.3 0.8 0.2
assign  (resid  29 and name hn)(resid 25 and name o) 2.3 0.8 0.2
!V30 to V26
assign  (resid  30 and name n)(resid 26 and name o) 3.3 0.8 0.2
assign  (resid  30 and name hn)(resid 26 and name o) 2.3 0.8 0.2
!R31 to R27?
!assign  (resid  31 and name n)(resid 27 and name o) 3.3 0.8 0.2
!assign  (resid  31 and name hn)(resid 27 and name o) 2.3 0.8 0.2

!! a2-helix
!I52 to T48
assign  (resid  52 and name n)(resid 48 and name o) 3.3 0.8 0.2
assign  (resid  52 and name hn)(resid 48 and name o) 2.3 0.8 0.2
!F55 to D51
assign  (resid  55 and name n)(resid 51 and name o) 3.3 0.8 0.2
assign  (resid  55 and name hn)(resid 51 and name o) 2.3 0.8 0.2

!F55 to D51
assign  (resid  55 and name n)(resid 51 and name o) 3.3 0.8 0.2
assign  (resid  55 and name hn)(resid 51 and name o) 2.3 0.8 0.2







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