NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type

497573 2krl cing 1-original 5 XPLOR/CNS planarity
restraints plane

!# duplex #1:
!
! Gua   2 -- Cyt  19

 group
  select=((resid   2 and (name N1 or name C6 or name C2)) or (resid  19 and (name N3)))
  weight=20.0
 end

 group
  select=((resid   2 and (name N1)) or (resid  19 and (name N3 or name C2 or name C4)))
  weight=20.0
 end

!
! Ade   3 -- Uri  18

 group
  select=((resid   3 and (name N1 or name C6 or name C2)) or (resid  18 and (name N3)))
  weight=20.0
 end

 group
  select=((resid   3 and (name N1)) or (resid  18 and (name N3 or name C2 or name C4)))
  weight=20.0
 end

!
! Gua  17 -- Cyt   4

 group
  select=((resid  17 and (name N1 or name C6 or name C2)) or (resid   4 and (name N3)))
  weight=20.0
 end

 group
  select=((resid  17 and (name N1)) or (resid   4 and (name N3 or name C2 or name C4)))
  weight=20.0
 end

!
! Gua   6 -- Cyt  15

 group
  select=((resid   6 and (name N1 or name C6 or name C2)) or (resid  15 and (name N3)))
  weight=20.0
 end

 group
  select=((resid   6 and (name N1)) or (resid  15 and (name N3 or name C2 or name C4)))
  weight=20.0
 end

!
! Ade  14 -- Uri   7

 group
  select=((resid  14 and (name N1 or name C6 or name C2)) or (resid   7 and (name N3)))
  weight=20.0
 end

 group
  select=((resid  14 and (name N1)) or (resid   7 and (name N3 or name C2 or name C4)))
  weight=20.0
 end

!
! Gua   8 -- Cyt  13

 group
  select=((resid   8 and (name N1 or name C6 or name C2)) or (resid  13 and (name N3)))
  weight=20.0
 end

 group
  select=((resid   8 and (name N1)) or (resid  13 and (name N3 or name C2 or name C4)))
  weight=20.0
 end


!# duplex #2:
!
! Gua  27 -- Cyt  53

 group
  select=((resid  27 and (name N1 or name C6 or name C2)) or (resid  53 and (name N3)))
  weight=20.0
 end

 group
  select=((resid  27 and (name N1)) or (resid  53 and (name N3 or name C2 or name C4)))
  weight=20.0
 end

!
! Gua  29 -- Cyt  51

 group
  select=((resid  29 and (name N1 or name C6 or name C2)) or (resid  51 and (name N3)))
  weight=20.0
 end

 group
  select=((resid  29 and (name N1)) or (resid  51 and (name N3 or name C2 or name C4)))
  weight=20.0
 end

!
! Gua  50 -- Cyt  30

 group
  select=((resid  50 and (name N1 or name C6 or name C2)) or (resid  30 and (name N3)))
  weight=20.0
 end

 group
  select=((resid  50 and (name N1)) or (resid  30 and (name N3 or name C2 or name C4)))
  weight=20.0
 end

!
! Ade  31 -- Uri  49

 group
  select=((resid  31 and (name N1 or name C6 or name C2)) or (resid  49 and (name N3)))
  weight=20.0
 end

 group
  select=((resid  31 and (name N1)) or (resid  49 and (name N3 or name C2 or name C4)))
  weight=20.0
 end

!
! Ade  47 -- Uri  33

 group
  select=((resid  47 and (name N1 or name C6 or name C2)) or (resid  33 and (name N3)))
  weight=20.0
 end

 group
  select=((resid  47 and (name N1)) or (resid  33 and (name N3 or name C2 or name C4)))
  weight=20.0
 end

!
! Ade  34 -- Uri  46

 group
  select=((resid  34 and (name N1 or name C6 or name C2)) or (resid  46 and (name N3)))
  weight=20.0
 end

 group
  select=((resid  34 and (name N1)) or (resid  46 and (name N3 or name C2 or name C4)))
  weight=20.0
 end


!# duplex #3
!
! Gua  57 -- Cyt  98

 group
  select=((resid  57 and (name N1 or name C6 or name C2)) or (resid  98 and (name N3)))
  weight=20.0
 end

 group
  select=((resid  57 and (name N1)) or (resid  98 and (name N3 or name C2 or name C4)))
  weight=20.0
 end


!
! Gua  58 -- Cyt  97

 group
  select=((resid  58 and (name N1 or name C6 or name C2)) or (resid  97 and (name N3)))
  weight=20.0
 end

 group
  select=((resid  58 and (name N1)) or (resid  97 and (name N3 or name C2 or name C4)))
  weight=20.0
 end

!
! Gua  59 -- Cyt  96

 group
  select=((resid  59 and (name N1 or name C6 or name C2)) or (resid  96 and (name N3)))
  weight=20.0
 end

 group
  select=((resid  59 and (name N1)) or (resid  96 and (name N3 or name C2 or name C4)))
  weight=20.0
 end

!
! Ade  95 -- Uri  60

 group
  select=((resid  95 and (name N1 or name C6 or name C2)) or (resid  60 and (name N3)))
  weight=20.0
 end

 group
  select=((resid  95 and (name N1)) or (resid  60 and (name N3 or name C2 or name C4)))
  weight=20.0
 end

!
! Ade  62 -- Uri  93

 group
  select=((resid  62 and (name N1 or name C6 or name C2)) or (resid  93 and (name N3)))
  weight=20.0
 end

 group
  select=((resid  62 and (name N1)) or (resid  93 and (name N3 or name C2 or name C4)))
  weight=20.0
 end

!
! Gua  92 -- Cyt  63

 group
  select=((resid  92 and (name N1 or name C6 or name C2)) or (resid  63 and (name N3)))
  weight=20.0
 end

 group
  select=((resid  92 and (name N1)) or (resid  63 and (name N3 or name C2 or name C4)))
  weight=20.0
 end

!
! Gua  91 -- Cyt  64

 group
  select=((resid  91 and (name N1 or name C6 or name C2)) or (resid  64 and (name N3)))
  weight=20.0
 end

 group
  select=((resid  91 and (name N1)) or (resid  64 and (name N3 or name C2 or name C4)))
  weight=20.0
 end

!
! Ade  65 -- Uri  90

 group
  select=((resid  65 and (name N1 or name C6 or name C2)) or (resid  90 and (name N3)))
  weight=20.0
 end

 group
  select=((resid  65 and (name N1)) or (resid  90 and (name N3 or name C2 or name C4)))
  weight=20.0
 end

!
! Gua  89 -- Cyt  66

 group
  select=((resid  89 and (name N1 or name C6 or name C2)) or (resid  66 and (name N3)))
  weight=20.0
 end

 group
  select=((resid  89 and (name N1)) or (resid  66 and (name N3 or name C2 or name C4)))
  weight=20.0
 end

!
! Gua  82 -- Cyt  73

 group
  select=((resid  82 and (name N1 or name C6 or name C2)) or (resid  73 and (name N3)))
  weight=20.0
 end

 group
  select=((resid  82 and (name N1)) or (resid  73 and (name N3 or name C2 or name C4)))
  weight=20.0
 end

!
! Gua  81 -- Cyt  74

 group
  select=((resid  81 and (name N1 or name C6 or name C2)) or (resid  74 and (name N3)))
  weight=20.0
 end

 group
  select=((resid  81 and (name N1)) or (resid  74 and (name N3 or name C2 or name C4)))
  weight=20.0
 end

!
! Gua  80 -- Cyt  75

 group
  select=((resid  80 and (name N1 or name C6 or name C2)) or (resid  75 and (name N3)))
  weight=20.0
 end

 group
  select=((resid  80 and (name N1)) or (resid  75 and (name N3 or name C2 or name C4)))
  weight=20.0
 end


!# Pesudo-knot 1: J1-2
!
! Ade  41 -- Uri  99

 group
  select=((resid  41 and (name N1 or name C6 or name C2)) or (resid  99 and (name N3)))
  weight=20.0
 end

 group
  select=((resid  41 and (name N1)) or (resid  99 and (name N3 or name C2 or name C4)))
  weight=20.0
 end

!
! Gua  40 -- Cyt 100

 group
  select=((resid  40 and (name N1 or name C6 or name C2)) or (resid 100 and (name N3)))
  weight=20.0
 end

 group
  select=((resid  40 and (name N1)) or (resid 100 and (name N3 or name C2 or name C4)))
  weight=20.0
 end

!
! Gua  39 -- Cyt 101

 group
  select=((resid  39 and (name N1 or name C6 or name C2)) or (resid 101 and (name N3)))
  weight=20.0
 end

 group
  select=((resid  39 and (name N1)) or (resid 101 and (name N3 or name C2 or name C4)))
  weight=20.0
 end

end
Please acknowledge these references in publications where the data from this site have been utilized.
Contact the webmaster for help, if required. Thursday, May 2, 2024 1:56:52 PM GMT (wattos1)
image	mrblock_id	pdb_id	cing	stage	position	program	type
	497573	2krl	cing	1-original	5	XPLOR/CNS	planarity