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

605631 2n6s 25780 cing 1-original 5 XPLOR/CNS dihedral angle
assign (residue 1 and name c4') (residue 1 and name o4')
       (residue 1 and name c1') (residue 1 and name c2') 2 0 15 2
assign (residue 1 and name o4') (residue 1 and name c1')
       (residue 1 and name c2') (residue 1 and name c3') 2 -25 20 2
assign (residue 1 and name c1') (residue 1 and name c2')
       (residue 1 and name c3') (residue 1 and name c4') 2 36 15 2
assign (residue 1 and name c2') (residue 1 and name c3')
       (residue 1 and name c4') (residue 1 and name o4') 2 -36 15 2

assign (residue 2 and name c4') (residue 2 and name o4')
       (residue 2 and name c1') (residue 2 and name c2') 2 0 15 2
assign (residue 2 and name o4') (residue 2 and name c1')
       (residue 2 and name c2') (residue 2 and name c3') 2 -25 20 2
assign (residue 2 and name c1') (residue 2 and name c2')
       (residue 2 and name c3') (residue 2 and name c4') 2 36 15 2
assign (residue 2 and name c2') (residue 2 and name c3')
       (residue 2 and name c4') (residue 2 and name o4') 2 -36 15 2

assign (residue 3 and name c4') (residue 3 and name o4')
       (residue 3 and name c1') (residue 3 and name c2') 2 0 15 2
assign (residue 3 and name o4') (residue 3 and name c1')
       (residue 3 and name c2') (residue 3 and name c3') 2 -25 20 2
assign (residue 3 and name c1') (residue 3 and name c2')
       (residue 3 and name c3') (residue 3 and name c4') 2 36 15 2
assign (residue 3 and name c2') (residue 3 and name c3')
       (residue 3 and name c4') (residue 3 and name o4') 2 -36 15 2

assign (residue 4 and name c4') (residue 4 and name o4')
       (residue 4 and name c1') (residue 4 and name c2') 2 0 15 2
assign (residue 4 and name o4') (residue 4 and name c1')
       (residue 4 and name c2') (residue 4 and name c3') 2 -25 20 2
assign (residue 4 and name c1') (residue 4 and name c2')
       (residue 4 and name c3') (residue 4 and name c4') 2 36 15 2
assign (residue 4 and name c2') (residue 4 and name c3')
       (residue 4 and name c4') (residue 4 and name o4') 2 -36 15 2

assign (residue 5 and name c4') (residue 5 and name o4')
       (residue 5 and name c1') (residue 5 and name c2') 2 0 15 2
assign (residue 5 and name o4') (residue 5 and name c1')
       (residue 5 and name c2') (residue 5 and name c3') 2 -25 20 2
assign (residue 5 and name c1') (residue 5 and name c2')
       (residue 5 and name c3') (residue 5 and name c4') 2 36 15 2
assign (residue 5 and name c2') (residue 5 and name c3')
       (residue 5 and name c4') (residue 5 and name o4') 2 -36 15 2

assign (residue 6 and name c4') (residue 6 and name o4')
       (residue 6 and name c1') (residue 6 and name c2') 2 0 15 2
assign (residue 6 and name o4') (residue 6 and name c1')
       (residue 6 and name c2') (residue 6 and name c3') 2 -25 20 2
assign (residue 6 and name c1') (residue 6 and name c2')
       (residue 6 and name c3') (residue 6 and name c4') 2 36 15 2
assign (residue 6 and name c2') (residue 6 and name c3')
       (residue 6 and name c4') (residue 6 and name o4') 2 -36 15 2

assign (residue 7 and name c4') (residue 7 and name o4')
       (residue 7 and name c1') (residue 7 and name c2') 2 0 15 2
assign (residue 7 and name o4') (residue 7 and name c1')
       (residue 7 and name c2') (residue 7 and name c3') 2 -25 20 2
assign (residue 7 and name c1') (residue 7 and name c2')
       (residue 7 and name c3') (residue 7 and name c4') 2 36 15 2
assign (residue 7 and name c2') (residue 7 and name c3')
       (residue 7 and name c4') (residue 7 and name o4') 2 -36 15 2

assign (residue 8 and name c4') (residue 8 and name o4')
       (residue 8 and name c1') (residue 8 and name c2') 2 0 15 2
assign (residue 8 and name o4') (residue 8 and name c1')
       (residue 8 and name c2') (residue 8 and name c3') 2 -25 20 2
assign (residue 8 and name c1') (residue 8 and name c2')
       (residue 8 and name c3') (residue 8 and name c4') 2 36 15 2
assign (residue 8 and name c2') (residue 8 and name c3')
       (residue 8 and name c4') (residue 8 and name o4') 2 -36 15 2

assign (residue 9 and name c4') (residue 9 and name o4')
       (residue 9 and name c1') (residue 9 and name c2') 2 0 15 2
assign (residue 9 and name o4') (residue 9 and name c1')
       (residue 9 and name c2') (residue 9 and name c3') 2 -25 20 2
assign (residue 9 and name c1') (residue 9 and name c2')
       (residue 9 and name c3') (residue 9 and name c4') 2 36 15 2
assign (residue 9 and name c2') (residue 9 and name c3')
       (residue 9 and name c4') (residue 9 and name o4') 2 -36 15 2

assign (residue 10 and name c4') (residue 10 and name o4')
       (residue 10 and name c1') (residue 10 and name c2') 2 0 15 2
assign (residue 10 and name o4') (residue 10 and name c1')
       (residue 10 and name c2') (residue 10 and name c3') 2 -25 20 2
assign (residue 10 and name c1') (residue 10 and name c2')
       (residue 10 and name c3') (residue 10 and name c4') 2 36 15 2
assign (residue 10 and name c2') (residue 10 and name c3')
       (residue 10 and name c4') (residue 10 and name o4') 2 -36 15 2

assign (residue 11 and name c4') (residue 11 and name o4')
       (residue 11 and name c1') (residue 11 and name c2') 2 0 15 2
assign (residue 11 and name o4') (residue 11 and name c1')
       (residue 11 and name c2') (residue 11 and name c3') 2 -25 20 2
assign (residue 11 and name c1') (residue 11 and name c2')
       (residue 11 and name c3') (residue 11 and name c4') 2 36 15 2
assign (residue 11 and name c2') (residue 11 and name c3')
       (residue 11 and name c4') (residue 11 and name o4') 2 -36 15 2

assign (residue 12 and name c4') (residue 12 and name o4')
       (residue 12 and name c1') (residue 12 and name c2') 2 0 15 2
assign (residue 12 and name o4') (residue 12 and name c1')
       (residue 12 and name c2') (residue 12 and name c3') 2 -25 20 2
assign (residue 12 and name c1') (residue 12 and name c2')
       (residue 12 and name c3') (residue 12 and name c4') 2 36 15 2
assign (residue 12 and name c2') (residue 12 and name c3')
       (residue 12 and name c4') (residue 12 and name o4') 2 -36 15 2

assign (residue 13 and name c4') (residue 13 and name o4')
       (residue 13 and name c1') (residue 13 and name c2') 2 0 15 2
assign (residue 13 and name o4') (residue 13 and name c1')
       (residue 13 and name c2') (residue 13 and name c3') 2 -25 20 2
assign (residue 13 and name c1') (residue 13 and name c2')
       (residue 13 and name c3') (residue 13 and name c4') 2 36 15 2
assign (residue 13 and name c2') (residue 13 and name c3')
       (residue 13 and name c4') (residue 13 and name o4') 2 -36 15 2

assign (residue 14 and name c4') (residue 14 and name o4')
       (residue 14 and name c1') (residue 14 and name c2') 2 0 15 2
assign (residue 14 and name o4') (residue 14 and name c1')
       (residue 14 and name c2') (residue 14 and name c3') 2 -25 20 2
assign (residue 14 and name c1') (residue 14 and name c2')
       (residue 14 and name c3') (residue 14 and name c4') 2 36 15 2
assign (residue 14 and name c2') (residue 14 and name c3')
       (residue 14 and name c4') (residue 14 and name o4') 2 -36 15 2

assign (residue 15 and name c4') (residue 15 and name o4')
       (residue 15 and name c1') (residue 15 and name c2') 2 0 15 2
assign (residue 15 and name o4') (residue 15 and name c1')
       (residue 15 and name c2') (residue 15 and name c3') 2 -25 20 2
assign (residue 15 and name c1') (residue 15 and name c2')
       (residue 15 and name c3') (residue 15 and name c4') 2 36 15 2
assign (residue 15 and name c2') (residue 15 and name c3')
       (residue 15 and name c4') (residue 15 and name o4') 2 -36 15 2

assign (residue 22 and name c4') (residue 22 and name o4')
       (residue 22 and name c1') (residue 22 and name c2') 2 0 15 2
assign (residue 22 and name o4') (residue 22 and name c1')
       (residue 22 and name c2') (residue 22 and name c3') 2 -25 20 2
assign (residue 22 and name c1') (residue 22 and name c2')
       (residue 22 and name c3') (residue 22 and name c4') 2 36 15 2
assign (residue 22 and name c2') (residue 22 and name c3')
       (residue 22 and name c4') (residue 22 and name o4') 2 -36 15 2

assign (residue 23 and name c4') (residue 23 and name o4')
       (residue 23 and name c1') (residue 23 and name c2') 2 0 15 2
assign (residue 23 and name o4') (residue 23 and name c1')
       (residue 23 and name c2') (residue 23 and name c3') 2 -25 20 2
assign (residue 23 and name c1') (residue 23 and name c2')
       (residue 23 and name c3') (residue 23 and name c4') 2 36 15 2
assign (residue 23 and name c2') (residue 23 and name c3')
       (residue 23 and name c4') (residue 23 and name o4') 2 -36 15 2

assign (residue 24 and name c4') (residue 24 and name o4')
       (residue 24 and name c1') (residue 24 and name c2') 2 0 15 2
assign (residue 24 and name o4') (residue 24 and name c1')
       (residue 24 and name c2') (residue 24 and name c3') 2 -25 20 2
assign (residue 24 and name c1') (residue 24 and name c2')
       (residue 24 and name c3') (residue 24 and name c4') 2 36 15 2
assign (residue 24 and name c2') (residue 24 and name c3')
       (residue 24 and name c4') (residue 24 and name o4') 2 -36 15 2

assign (residue 25 and name c4') (residue 25 and name o4')
       (residue 25 and name c1') (residue 25 and name c2') 2 0 15 2
assign (residue 25 and name o4') (residue 25 and name c1')
       (residue 25 and name c2') (residue 25 and name c3') 2 -25 20 2
assign (residue 25 and name c1') (residue 25 and name c2')
       (residue 25 and name c3') (residue 25 and name c4') 2 36 15 2
assign (residue 25 and name c2') (residue 25 and name c3')
       (residue 25 and name c4') (residue 25 and name o4') 2 -36 15 2

assign (residue 26 and name c4') (residue 26 and name o4')
       (residue 26 and name c1') (residue 26 and name c2') 2 0 15 2
assign (residue 26 and name o4') (residue 26 and name c1')
       (residue 26 and name c2') (residue 26 and name c3') 2 -25 20 2
assign (residue 26 and name c1') (residue 26 and name c2')
       (residue 26 and name c3') (residue 26 and name c4') 2 36 15 2
assign (residue 26 and name c2') (residue 26 and name c3')
       (residue 26 and name c4') (residue 26 and name o4') 2 -36 15 2

assign (residue 27 and name c4') (residue 27 and name o4')
       (residue 27 and name c1') (residue 27 and name c2') 2 0 15 2
assign (residue 27 and name o4') (residue 27 and name c1')
       (residue 27 and name c2') (residue 27 and name c3') 2 -25 20 2
assign (residue 27 and name c1') (residue 27 and name c2')
       (residue 27 and name c3') (residue 27 and name c4') 2 36 15 2
assign (residue 27 and name c2') (residue 27 and name c3')
       (residue 27 and name c4') (residue 27 and name o4') 2 -36 15 2

assign (residue 28 and name c4') (residue 28 and name o4')
       (residue 28 and name c1') (residue 28 and name c2') 2 0 15 2
assign (residue 28 and name o4') (residue 28 and name c1')
       (residue 28 and name c2') (residue 28 and name c3') 2 -25 20 2
assign (residue 28 and name c1') (residue 28 and name c2')
       (residue 28 and name c3') (residue 28 and name c4') 2 36 15 2
assign (residue 28 and name c2') (residue 28 and name c3')
       (residue 28 and name c4') (residue 28 and name o4') 2 -36 15 2

assign (residue 29 and name c4') (residue 29 and name o4')
       (residue 29 and name c1') (residue 29 and name c2') 2 0 15 2
assign (residue 29 and name o4') (residue 29 and name c1')
       (residue 29 and name c2') (residue 29 and name c3') 2 -25 20 2
assign (residue 29 and name c1') (residue 29 and name c2')
       (residue 29 and name c3') (residue 29 and name c4') 2 36 15 2
assign (residue 29 and name c2') (residue 29 and name c3')
       (residue 29 and name c4') (residue 29 and name o4') 2 -36 15 2

assign (residue 30 and name c4') (residue 30 and name o4')
       (residue 30 and name c1') (residue 30 and name c2') 2 0 15 2
assign (residue 30 and name o4') (residue 30 and name c1')
       (residue 30 and name c2') (residue 30 and name c3') 2 -25 20 2
assign (residue 30 and name c1') (residue 30 and name c2')
       (residue 30 and name c3') (residue 30 and name c4') 2 36 15 2
assign (residue 30 and name c2') (residue 30 and name c3')
       (residue 30 and name c4') (residue 30 and name o4') 2 -36 15 2

assign (residue 31 and name c4') (residue 31 and name o4')
       (residue 31 and name c1') (residue 31 and name c2') 2 0 15 2
assign (residue 31 and name o4') (residue 31 and name c1')
       (residue 31 and name c2') (residue 31 and name c3') 2 -25 20 2
assign (residue 31 and name c1') (residue 31 and name c2')
       (residue 31 and name c3') (residue 31 and name c4') 2 36 15 2
assign (residue 31 and name c2') (residue 31 and name c3')
       (residue 31 and name c4') (residue 31 and name o4') 2 -36 15 2

assign (residue 32 and name c4') (residue 32 and name o4')
       (residue 32 and name c1') (residue 32 and name c2') 2 0 15 2
assign (residue 32 and name o4') (residue 32 and name c1')
       (residue 32 and name c2') (residue 32 and name c3') 2 -25 20 2
assign (residue 32 and name c1') (residue 32 and name c2')
       (residue 32 and name c3') (residue 32 and name c4') 2 36 15 2
assign (residue 32 and name c2') (residue 32 and name c3')
       (residue 32 and name c4') (residue 32 and name o4') 2 -36 15 2

assign (residue 33 and name c4') (residue 33 and name o4')
       (residue 33 and name c1') (residue 33 and name c2') 2 0 15 2
assign (residue 33 and name o4') (residue 33 and name c1')
       (residue 33 and name c2') (residue 33 and name c3') 2 -25 20 2
assign (residue 33 and name c1') (residue 33 and name c2')
       (residue 33 and name c3') (residue 33 and name c4') 2 36 15 2
assign (residue 33 and name c2') (residue 33 and name c3')
       (residue 33 and name c4') (residue 33 and name o4') 2 -36 15 2

assign (residue 34 and name c4') (residue 34 and name o4')
       (residue 34 and name c1') (residue 34 and name c2') 2 0 15 2
assign (residue 34 and name o4') (residue 34 and name c1')
       (residue 34 and name c2') (residue 34 and name c3') 2 -25 20 2
assign (residue 34 and name c1') (residue 34 and name c2')
       (residue 34 and name c3') (residue 34 and name c4') 2 36 15 2
assign (residue 34 and name c2') (residue 34 and name c3')
       (residue 34 and name c4') (residue 34 and name o4') 2 -36 15 2

assign (residue 35 and name c4') (residue 35 and name o4')
       (residue 35 and name c1') (residue 35 and name c2') 2 0 15 2
assign (residue 35 and name o4') (residue 35 and name c1')
       (residue 35 and name c2') (residue 35 and name c3') 2 -25 20 2
assign (residue 35 and name c1') (residue 35 and name c2')
       (residue 35 and name c3') (residue 35 and name c4') 2 36 15 2
assign (residue 35 and name c2') (residue 35 and name c3')
       (residue 35 and name c4') (residue 35 and name o4') 2 -36 15 2

assign (residue 36 and name c4') (residue 36 and name o4')
       (residue 36 and name c1') (residue 36 and name c2') 2 0 15 2
assign (residue 36 and name o4') (residue 36 and name c1')
       (residue 36 and name c2') (residue 36 and name c3') 2 -25 20 2
assign (residue 36 and name c1') (residue 36 and name c2')
       (residue 36 and name c3') (residue 36 and name c4') 2 36 15 2
assign (residue 36 and name c2') (residue 36 and name c3')
       (residue 36 and name c4') (residue 36 and name o4') 2 -36 15 2

{Beta: assume all A-form, i.e. trans
residues 1-14 and 22-36}

assign (residue 2 and name p) (residue 2 and name o5')
        (residue 2 and name c5') (residue 2 and name c4') 2 180 30 2

assign (residue 3 and name p) (residue 3 and name o5')
        (residue 3 and name c5') (residue 3 and name c4') 2 180 30 2

assign (residue 4 and name p) (residue 4 and name o5')
        (residue 4 and name c5') (residue 4 and name c4') 2 180 30 2

assign (residue 5 and name p) (residue 5 and name o5')
        (residue 5 and name c5') (residue 5 and name c4') 2 180 30 2

assign (residue 6 and name p) (residue 6 and name o5')
        (residue 6 and name c5') (residue 6 and name c4') 2 180 30 2

assign (residue 7 and name p) (residue 7 and name o5')
        (residue 7 and name c5') (residue 7 and name c4') 2 180 30 2

assign (residue 8 and name p) (residue 8 and name o5')
        (residue 8 and name c5') (residue 8 and name c4') 2 180 30 2

assign (residue 9 and name p) (residue 9 and name o5')
        (residue 9 and name c5') (residue 9 and name c4') 2 180 30 2

assign (residue 10 and name p) (residue 10 and name o5')
        (residue 10 and name c5') (residue 10 and name c4') 2 180 30 2

assign (residue 11 and name p) (residue 11 and name o5')
        (residue 11 and name c5') (residue 11 and name c4') 2 180 30 2

assign (residue 12 and name p) (residue 12 and name o5')
        (residue 12 and name c5') (residue 12 and name c4') 2 180 30 2

assign (residue 13 and name p) (residue 13 and name o5')
        (residue 13 and name c5') (residue 13 and name c4') 2 180 30 2

assign (residue 14 and name p) (residue 14 and name o5')
        (residue 14 and name c5') (residue 14 and name c4') 2 180 30 2

assign (residue 15 and name p) (residue 15 and name o5')
        (residue 15 and name c5') (residue 15 and name c4') 2 180 30 2

assign (residue 22 and name p) (residue 22 and name o5')
        (residue 22 and name c5') (residue 22 and name c4') 2 180 30 2

assign (residue 23 and name p) (residue 23 and name o5')
        (residue 23 and name c5') (residue 23 and name c4') 2 180 30 2

assign (residue 24 and name p) (residue 24 and name o5')
        (residue 24 and name c5') (residue 24 and name c4') 2 180 30 2

assign (residue 25 and name p) (residue 25 and name o5')
        (residue 25 and name c5') (residue 25 and name c4') 2 180 30 2

assign (residue 26 and name p) (residue 26 and name o5')
        (residue 26 and name c5') (residue 26 and name c4') 2 180 30 2

assign (residue 27 and name p) (residue 27 and name o5')
        (residue 27 and name c5') (residue 27 and name c4') 2 180 30 2

assign (residue 28 and name p) (residue 28 and name o5')
        (residue 28 and name c5') (residue 28 and name c4') 2 180 30 2

assign (residue 29 and name p) (residue 29 and name o5')
        (residue 29 and name c5') (residue 29 and name c4') 2 180 30 2

assign (residue 30 and name p) (residue 30 and name o5')
        (residue 30 and name c5') (residue 30 and name c4') 2 180 30 2

assign (residue 31 and name p) (residue 31 and name o5')
        (residue 31 and name c5') (residue 31 and name c4') 2 180 30 2

assign (residue 32 and name p) (residue 32 and name o5')
        (residue 32 and name c5') (residue 32 and name c4') 2 180 30 2

assign (residue 33 and name p) (residue 33 and name o5')
        (residue 33 and name c5') (residue 33 and name c4') 2 180 30 2

assign (residue 34 and name p) (residue 34 and name o5')
        (residue 34 and name c5') (residue 34 and name c4') 2 180 30 2

assign (residue 35 and name p) (residue 35 and name o5')
        (residue 35 and name c5') (residue 35 and name c4') 2 180 30 2

assign (residue 36 and name p) (residue 36 and name o5')
        (residue 36 and name c5') (residue 36 and name c4') 2 180 30 2

{Gamma: assume A-form helicity:  gauche+
residue 1-14 and 22-36}

assign (residue 1 and name o5') (residue 1 and name c5')
        (residue 1 and name c4') (residue 1 and name c3') 2 55 30 2

assign (residue 2 and name o5') (residue 2 and name c5')
        (residue 2 and name c4') (residue 2 and name c3') 2 55 30 2

assign (residue 3 and name o5') (residue 3 and name c5')
        (residue 3 and name c4') (residue 3 and name c3') 2 55 30 2

assign (residue 4 and name o5') (residue 4 and name c5')
        (residue 4 and name c4') (residue 4 and name c3') 2 55 30 2

assign (residue 5 and name o5') (residue 5 and name c5')
        (residue 5 and name c4') (residue 5 and name c3') 2 55 30 2

assign (residue 6 and name o5') (residue 6 and name c5')
        (residue 6 and name c4') (residue 6 and name c3') 2 55 30 2

assign (residue 7 and name o5') (residue 7 and name c5')
        (residue 7 and name c4') (residue 7 and name c3') 2 55 30 2

assign (residue 8 and name o5') (residue 8 and name c5')
        (residue 8 and name c4') (residue 8 and name c3') 2 55 30 2

assign (residue 9 and name o5') (residue 9 and name c5')
        (residue 9 and name c4') (residue 9 and name c3') 2 55 30 2

assign (residue 10 and name o5') (residue 10 and name c5')
        (residue 10 and name c4') (residue 10 and name c3') 2 55 30 2

assign (residue 11 and name o5') (residue 11 and name c5')
        (residue 11 and name c4') (residue 11 and name c3') 2 55 30 2

assign (residue 12 and name o5') (residue 12 and name c5')
        (residue 12 and name c4') (residue 12 and name c3') 2 55 30 2

assign (residue 13 and name o5') (residue 13 and name c5')
        (residue 13 and name c4') (residue 13 and name c3') 2 55 30 2

assign (residue 14 and name o5') (residue 14 and name c5')
        (residue 14 and name c4') (residue 14 and name c3') 2 55 30 2

assign (residue 15 and name o5') (residue 15 and name c5')
        (residue 15 and name c4') (residue 15 and name c3') 2 55 30 2

assign (residue 22 and name o5') (residue 22 and name c5')
        (residue 22 and name c4') (residue 22 and name c3') 2 55 30 2

assign (residue 23 and name o5') (residue 23 and name c5')
        (residue 23 and name c4') (residue 23 and name c3') 2 55 30 2

assign (residue 24 and name o5') (residue 24 and name c5')
        (residue 24 and name c4') (residue 24 and name c3') 2 55 30 2

assign (residue 25 and name o5') (residue 25 and name c5')
        (residue 25 and name c4') (residue 25 and name c3') 2 55 30 2

assign (residue 26 and name o5') (residue 26 and name c5')
        (residue 26 and name c4') (residue 26 and name c3') 2 55 30 2

assign (residue 27 and name o5') (residue 27 and name c5')
        (residue 27 and name c4') (residue 27 and name c3') 2 55 30 2

assign (residue 28 and name o5') (residue 28 and name c5')
        (residue 28 and name c4') (residue 28 and name c3') 2 55 30 2

assign (residue 29 and name o5') (residue 29 and name c5')
        (residue 29 and name c4') (residue 29 and name c3') 2 55 30 2

assign (residue 30 and name o5') (residue 30 and name c5')
        (residue 30 and name c4') (residue 30 and name c3') 2 55 30 2

assign (residue 31 and name o5') (residue 31 and name c5')
        (residue 31 and name c4') (residue 31 and name c3') 2 55 30 2

assign (residue 32 and name o5') (residue 32 and name c5')
        (residue 32 and name c4') (residue 32 and name c3') 2 55 30 2

assign (residue 33 and name o5') (residue 33 and name c5')
        (residue 33 and name c4') (residue 33 and name c3') 2 55 30 2

assign (residue 34 and name o5') (residue 34 and name c5')
        (residue 34 and name c4') (residue 34 and name c3') 2 55 30 2

assign (residue 35 and name o5') (residue 35 and name c5')
        (residue 35 and name c4') (residue 35 and name c3') 2 55 30 2

assign (residue 36 and name o5') (residue 36 and name c5')
        (residue 36 and name c4') (residue 36 and name c3') 2 55 30 2

{Epsilon: assume A-form helicity:  trans
residue 1-14 and 22-36}

assign (residue 1 and name c4') (residue 1 and name c3')
        (residue 1 and name o3') (residue 2 and name p) 2 -155 30 2

assign (residue 2 and name c4') (residue 2 and name c3')
        (residue 2 and name o3') (residue 3 and name p) 2 -155 30 2

assign (residue 3 and name c4') (residue 3 and name c3')
        (residue 3 and name o3') (residue 4 and name p) 2 -155 30 2

assign (residue 4 and name c4') (residue 4 and name c3')
        (residue 4 and name o3') (residue 5 and name p) 2 -155 30 2

assign (residue 5 and name c4') (residue 5 and name c3')
        (residue 5 and name o3') (residue 6 and name p) 2 -155 30 2

assign (residue 6 and name c4') (residue 6 and name c3')
        (residue 6 and name o3') (residue 7 and name p) 2 -155 30 2

assign (residue 7 and name c4') (residue 7 and name c3')
        (residue 7 and name o3') (residue 8 and name p) 2 -155 30 2

assign (residue 8 and name c4') (residue 8 and name c3')
        (residue 8 and name o3') (residue 9 and name p) 2 -155 30 2

assign (residue 9 and name c4') (residue 9 and name c3')
        (residue 9 and name o3') (residue 10 and name p) 2 -155 30 2

assign (residue 10 and name c4') (residue 10 and name c3')
        (residue 10 and name o3') (residue 11 and name p) 2 -155 30 2

assign (residue 11 and name c4') (residue 11 and name c3')
        (residue 11 and name o3') (residue 12 and name p) 2 -155 30 2

assign (residue 12 and name c4') (residue 12 and name c3')
        (residue 12 and name o3') (residue 13 and name p) 2 -155 30 2

assign (residue 13 and name c4') (residue 13 and name c3')
        (residue 13 and name o3') (residue 14 and name p) 2 -155 30 2

assign (residue 14 and name c4') (residue 14 and name c3')
        (residue 14 and name o3') (residue 15 and name p) 2 -155 30 2

assign (residue 15 and name c4') (residue 15 and name c3')
        (residue 15 and name o3') (residue 16 and name p) 2 -155 30 2

assign (residue 22 and name c4') (residue 22 and name c3')
        (residue 22 and name o3') (residue 23 and name p) 2 -155 30 2

assign (residue 23 and name c4') (residue 23 and name c3')
        (residue 23 and name o3') (residue 24 and name p) 2 -155 30 2

assign (residue 24 and name c4') (residue 24 and name c3')
        (residue 24 and name o3') (residue 25 and name p) 2 -155 30 2

assign (residue 25 and name c4') (residue 25 and name c3')
        (residue 25 and name o3') (residue 26 and name p) 2 -155 30 2

assign (residue 26 and name c4') (residue 26 and name c3')
        (residue 26 and name o3') (residue 27 and name p) 2 -155 30 2

assign (residue 27 and name c4') (residue 27 and name c3')
        (residue 27 and name o3') (residue 28 and name p) 2 -155 30 2

assign (residue 28 and name c4') (residue 28 and name c3')
        (residue 28 and name o3') (residue 29 and name p) 2 -155 30 2

assign (residue 29 and name c4') (residue 29 and name c3')
        (residue 29 and name o3') (residue 30 and name p) 2 -155 30 2

assign (residue 30 and name c4') (residue 30 and name c3')
        (residue 30 and name o3') (residue 31 and name p) 2 -155 30 2

assign (residue 31 and name c4') (residue 31 and name c3')
        (residue 31 and name o3') (residue 32 and name p) 2 -155 30 2

assign (residue 32 and name c4') (residue 32 and name c3')
        (residue 32 and name o3') (residue 33 and name p) 2 -155 30 2

assign (residue 33 and name c4') (residue 33 and name c3')
        (residue 33 and name o3') (residue 34 and name p) 2 -155 30 2

assign (residue 34 and name c4') (residue 34 and name c3')
        (residue 34 and name o3') (residue 35 and name p) 2 -155 30 2

assign (residue 35 and name c4') (residue 35 and name c3')
        (residue 35 and name o3') (residue 36 and name p) 2 -155 30 2

{keep aminos in the plane of the base}

{assign (residue 1 and name h22) (residue 1 and name n2)
        (residue 1 and name c2) (residue 1 and name n3) 10 0 5 2

assign (residue 2 and name h22) (residue 2 and name n2)
        (residue 2 and name c2) (residue 2 and name n3) 10 0 5 2

assign (residue 3 and name h62) (residue 3 and name n6)
        (residue 3 and name c2) (residue 3 and name n3) 10 0 5 2

assign (residue 4 and name h62) (residue 4 and name n6)
        (residue 4 and name c2) (residue 4 and name n3) 10 0 5 2

assign (residue 8 and name h62) (residue 8 and name n6)
        (residue 8 and name c2) (residue 8 and name n3) 10 0 5 2

assign (residue 10 and name h22) (residue 10 and name n2)
        (residue 10 and name c2) (residue 10 and name n3) 10 0 5 2

assign (residue 11 and name h62) (residue 11 and name n6)
        (residue 11 and name c2) (residue 11 and name n3) 10 0 5 2

assign (residue 12 and name h22) (residue 12 and name n2)
        (residue 12 and name c2) (residue 12 and name n3) 10 0 5 2

assign (residue 14 and name h62) (residue 14 and name n6)
        (residue 14 and name c2) (residue 14 and name n3) 10 0 5 2

assign (residue 15 and name h42) (residue 15 and name n4)
        (residue 15 and name c2) (residue 15 and name n3) 10 0 5 2

assign (residue 22 and name h62) (residue 22 and name n6)
        (residue 22 and name c2) (residue 22 and name n3) 10 0 5 2

assign (residue 24 and name h62) (residue 24 and name n6)
        (residue 24 and name c2) (residue 24 and name n3) 10 0 5 2

assign (residue 25 and name h42) (residue 25 and name n4)
        (residue 25 and name c2) (residue 25 and name n3) 10 0 5 2

assign (residue 28 and name h62) (residue 28 and name n6)
        (residue 28 and name c2) (residue 28 and name n3) 10 0 5 2

assign (residue 30 and name h62) (residue 30 and name n6)
        (residue 30 and name c2) (residue 30 and name n3) 10 0 5 2

assign (residue 31 and name h22) (residue 31 and name n2)
        (residue 31 and name c2) (residue 31 and name n3) 10 0 5 2

assign (residue 32 and name h62) (residue 32 and name n6)
        (residue 32 and name c2) (residue 32 and name n3) 10 0 5 2

assign (residue 35 and name h42) (residue 35 and name n4)
        (residue 35 and name c2) (residue 35 and name n3) 10 0 5 2

assign (residue 36 and name h42) (residue 36 and name n4)
        (residue 36 and name c2) (residue 36 and name n3) 10 0 5 2}

{Tetraloop Torsion angles residue 16-21}

{delta}

assign (residue 16 and name c4') (residue 16 and name o4')
       (residue 16 and name c1') (residue 16 and name c2') 2 0 15 2
assign (residue 16 and name o4') (residue 16 and name c1')
       (residue 16 and name c2') (residue 16 and name c3') 2 -25 20 2
assign (residue 16 and name c1') (residue 16 and name c2')
       (residue 16 and name c3') (residue 16 and name c4') 2 36 15 2
assign (residue 16 and name c2') (residue 16 and name c3')
       (residue 16 and name c4') (residue 16 and name o4') 2 -36 15 2

assign (residue 17 and name c4') (residue 17 and name o4')
       (residue 17 and name c1') (residue 17 and name c2') 2 0 15 2
assign (residue 17 and name o4') (residue 17 and name c1')
       (residue 17 and name c2') (residue 17 and name c3') 2 -25 20 2
assign (residue 17 and name c1') (residue 17 and name c2')
       (residue 17 and name c3') (residue 17 and name c4') 2 36 15 2
assign (residue 17 and name c2') (residue 17 and name c3')
       (residue 17 and name c4') (residue 17 and name o4') 2 -36 15 2

assign (residue 18 and name c4') (residue 18 and name o4')
       (residue 18 and name c1') (residue 18 and name c2') 2 -18 15 2
assign (residue 18 and name o4') (residue 18 and name c1')
       (residue 18 and name c2') (residue 18 and name c3') 2 34 15 2
assign (residue 18 and name c1') (residue 18 and name c2')
       (residue 18 and name c3') (residue 18 and name c4') 2 -37 15 2
assign (residue 18 and name c2') (residue 18 and name c3')
       (residue 18 and name c4') (residue 18 and name o4') 2 26 15 2

assign (residue 19 and name c4') (residue 19 and name o4')
       (residue 19 and name c1') (residue 19 and name c2') 2 -18 15 2
assign (residue 19 and name o4') (residue 19 and name c1')
       (residue 19 and name c2') (residue 19 and name c3') 2 34 15 2
assign (residue 19 and name c1') (residue 19 and name c2')
       (residue 19 and name c3') (residue 19 and name c4') 2 -37 15 2
assign (residue 19 and name c2') (residue 19 and name c3')
       (residue 19 and name c4') (residue 19 and name o4') 2 26 15 2

assign (residue 20 and name c4') (residue 20 and name o4')
       (residue 20 and name c1') (residue 20 and name c2') 2 0 15 2
assign (residue 20 and name o4') (residue 20 and name c1')
       (residue 20 and name c2') (residue 20 and name c3') 2 -25 20 2
assign (residue 20 and name c1') (residue 20 and name c2')
       (residue 20 and name c3') (residue 20 and name c4') 2 36 15 2
assign (residue 20 and name c2') (residue 20 and name c3')
       (residue 20 and name c4') (residue 20 and name o4') 2 -36 15 2

assign (residue 21 and name c4') (residue 21 and name o4')
       (residue 21 and name c1') (residue 21 and name c2') 2 0 15 2
assign (residue 21 and name o4') (residue 21 and name c1')
       (residue 21 and name c2') (residue 21 and name c3') 2 -25 20 2
assign (residue 21 and name c1') (residue 21 and name c2')
       (residue 21 and name c3') (residue 21 and name c4') 2 36 15 2
assign (residue 21 and name c2') (residue 21 and name c3')
       (residue 21 and name c4') (residue 21 and name o4') 2 -36 15 2

{beta}

assign (residue 16 and name p) (residue 16 and name o5')
        (residue 16 and name c5') (residue 16 and name c4') 2 180 30 2

assign (residue 17 and name p) (residue 7 and name o5')
        (residue 17 and name c5') (residue 17 and name c4') 2 180 30 2

assign (residue 18 and name p) (residue 18 and name o5')
        (residue 18 and name c5') (residue 18 and name c4') 2 180 60 2

assign (residue 19 and name p) (residue 19 and name o5')
        (residue 19 and name c5') (residue 19 and name c4') 2 180 60 2

assign (residue 20 and name p) (residue 20 and name o5')
        (residue 20 and name c5') (residue 20 and name c4') 2 180 30 2

assign (residue 21 and name p) (residue 21 and name o5')
        (residue 21 and name c5') (residue 21 and name c4') 2 180 30 2

{gamma}

assign (residue 16 and name o5') (residue 16 and name c5')
        (residue 16 and name c4') (residue 16 and name c3') 2 55 30 2

assign (residue 17 and name o5') (residue 17 and name c5')
        (residue 17 and name c4') (residue 17 and name c3') 2 55 30 2

assign (residue 18 and name o5') (residue 18 and name c5')
        (residue 18 and name c4') (residue 18 and name c3') 2 55 30 2

assign (residue 19 and name o5') (residue 19 and name c5')
        (residue 19 and name c4') (residue 19 and name c3') 2 55 30 2

assign (residue 20 and name o5') (residue 20 and name c5')
        (residue 20 and name c4') (residue 20 and name c3') 2 -155 30 2

assign (residue 21 and name o5') (residue 21 and name c5')
        (residue 21 and name c4') (residue 21 and name c3') 2 55 30 2

{epsilon}

assign (residue 16 and name c4') (residue 16 and name c3')
        (residue 16 and name o3') (residue 17 and name p) 2 -155 30 2

assign (residue 17 and name c4') (residue 17 and name c3')
        (residue 17 and name o3') (residue 18 and name p) 2 -155 30 2

assign (residue 18 and name c4') (residue 18 and name c3')
        (residue 18 and name o3') (residue 19 and name p) 2 -90 60 2

assign (residue 19 and name c4') (residue 19 and name c3')
        (residue 19 and name o3') (residue 20 and name p) 2 -90 60 2

assign (residue 20 and name c4') (residue 20 and name c3')
        (residue 20 and name o3') (residue 21 and name p) 2 -155 30 2

assign (residue 21 and name c4') (residue 21 and name c3')
        (residue 21 and name o3') (residue 22 and name p) 2 -155 30 2

{alpha from 14mer}

assign (resid 16 and name o3') (resid 17 and name p)
 (resid 17 and name o5') (resid 17 and name c5') 1 -85 25 2

assign (resid 17 and name o3') (resid 18 and name p) 
 (resid 18 and name o5') (resid 18 and name c5') 1 197 50 2

assign (resid 18 and name o3') (resid 19 and name p) 
 (resid 19 and name o5') (resid 19 and name c5') 1 -74 30 2

assign (resid 19 and name o3') (resid 20 and name p) 
 (resid 20 and name o5') (resid 20 and name c5') 1  60 50 2

assign (resid 20 and name o3') (resid 21 and name p) 
 (resid 21 and name o5') (resid 21 and name c5') 1 -94 25 2

{zeta from 14mer}

assign (residue 16 and name c3?) (residue 16 and name o3')
        (residue 17 and name p) (residue 17 and name o5) 1  -66 30 2

assign (residue 17 and name c3?) (residue 17 and name o3')
        (residue 18 and name p) (residue 18 and name o5) 1 -100 30 2

assign (residue 18 and name c3?) (residue 18 and name o3')
        (residue 19 and name p) (residue 19 and name o5) 1  -48 30 2

assign (residue 19 and name c3?) (residue 19 and name o3')
        (residue 20 and name p) (residue 20 and name o5) 1  100 60 2

assign (residue 20 and name c3?) (residue 20 and name o3')
        (residue 21 and name p) (residue 21 and name o5) 1  -46 30 2



{aminos}

{assign (residue 16 and name h42) (residue 16 and name n4)
        (residue 16 and name c2) (residue 16 and name n3) 10 0 5 2

assign (residue 19 and name h42) (residue 19 and name n4)
        (residue 19 and name c2) (residue 19 and name n3) 10 0 5 2

assign (residue 20 and name h22) (residue 20 and name n2)
        (residue 20 and name c2) (residue 20 and name n3) 10 0 5 2

assign (residue 21 and name h22) (residue 21 and name n2)
        (residue 21 and name c2) (residue 21 and name n3) 10 0 5 2}
Please acknowledge these references in publications where the data from this site have been utilized.
Contact the webmaster for help, if required. Wednesday, May 29, 2024 10:16:42 AM GMT (wattos1)
image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type
	605631	2n6s	25780	cing	1-original	5	XPLOR/CNS	dihedral angle