NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type

1374 1ajt cing 1-original 4 XPLOR/CNS dihedral angle
{ 2ms4a.dihed beta, epsilon, delta, gamma and alpha and zeta}
{ keep amino groups in the plane of the base }

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 h22) (residue 3 and name n2)
       (residue 3 and name c2) (residue 3 and name n3) 10 0 5 2
assign (residue 5 and name h62) (residue 5 and name n6)
       (residue 5 and name c6) (residue 5 and name c5) 10 0 5 2
assign (residue 6 and name h62) (residue 6 and name n6)
       (residue 6 and name c6) (residue 6 and name c5) 10 0 5 2
assign (residue 8 and name h62) (residue 8 and name n6)
       (residue 8 and name c6) (residue 8 and name c5) 10 0 5 2
assign (residue 9 and name h62) (residue 9 and name n6)
       (residue 9 and name c6) (residue 9 and name c5) 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 h42) (residue 11 and name n4)
       (residue 11 and name c4) (residue 11 and name c5) 10 0 5 2
assign (residue 13 and name h42) (residue 13 and name n4)
       (residue 13 and name c4) (residue 13 and name c5) 10 0 5 2
assign (residue 18 and name h22) (residue 18 and name n2)
       (residue 18 and name c2) (residue 18 and name n3) 10 0 5 2
assign (residue 19 and name h62) (residue 19 and name n6)
       (residue 19 and name c6) (residue 19 and name c5) 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 22 and name h62) (residue 22 and name n6)
       (residue 22 and name c6) (residue 22 and name c5) 10 0 5 2
assign (residue 23 and name h42) (residue 23 and name n4)
       (residue 23 and name c4) (residue 23 and name c5) 10 0 5 2
assign (residue 24 and name h42) (residue 24 and name n4)
       (residue 24 and name c4) (residue 24 and name c5) 10 0 5 2


{ make some nucleotides 3'-endo }
{      modified to restrain vo, v1, v2, and v3 instead of delta }

assign (residue 2 and name c4') (residue 2 and name o4')
       (residue 2 and name c1') (residue 2 and name c2') 2 0 5 2
assign (residue 2 and name o4') (residue 2 and name c1')
       (residue 2 and name c2') (residue 2 and name c3') 2 -22 5 2
assign (residue 2 and name c1') (residue 2 and name c2')
       (residue 2 and name c3') (residue 2 and name c4') 2 36 5 2
assign (residue 2 and name c2') (residue 2 and name c3')
       (residue 2 and name c4') (residue 2 and name o4') 2 -36 5 2

assign (residue 3 and name c4') (residue 3 and name o4')
       (residue 3 and name c1') (residue 3 and name c2') 2 0 5 2
assign (residue 3 and name o4') (residue 3 and name c1')
       (residue 3 and name c2') (residue 3 and name c3') 2 -22 5 2
assign (residue 3 and name c1') (residue 3 and name c2')
       (residue 3 and name c3') (residue 3 and name c4') 2 36 5 2
assign (residue 3 and name c2') (residue 3 and name c3')
       (residue 3 and name c4') (residue 3 and name o4') 2 -36 5 2

assign (residue 4 and name c4') (residue 4 and name o4')
       (residue 4 and name c1') (residue 4 and name c2') 2 0 5 2
assign (residue 4 and name o4') (residue 4 and name c1')
       (residue 4 and name c2') (residue 4 and name c3') 2 -22 5 2
assign (residue 4 and name c1') (residue 4 and name c2')
       (residue 4 and name c3') (residue 4 and name c4') 2 36 5 2
assign (residue 4 and name c2') (residue 4 and name c3')
       (residue 4 and name c4') (residue 4 and name o4') 2 -36 5 2

assign (residue 5 and name c4') (residue 5 and name o4')
       (residue 5 and name c1') (residue 5 and name c2') 2 0 5 2
assign (residue 5 and name o4') (residue 5 and name c1')
       (residue 5 and name c2') (residue 5 and name c3') 2 -22 5 2
assign (residue 5 and name c1') (residue 5 and name c2')
       (residue 5 and name c3') (residue 5 and name c4') 2 36 5 2
assign (residue 5 and name c2') (residue 5 and name c3')
       (residue 5 and name c4') (residue 5 and name o4') 2 -36 5 2

assign (residue 10 and name c4') (residue 10 and name o4')
       (residue 10 and name c1') (residue 10 and name c2') 2 0 5 2
assign (residue 10 and name o4') (residue 10 and name c1')
       (residue 10 and name c2') (residue 10 and name c3') 2 -22 5 2
assign (residue 10 and name c1') (residue 10 and name c2')
       (residue 10 and name c3') (residue 10 and name c4') 2 36 5 2
assign (residue 10 and name c2') (residue 10 and name c3')
       (residue 10 and name c4') (residue 10 and name o4') 2 -36 5 2

assign (residue 11 and name c4') (residue 11 and name o4')
       (residue 11 and name c1') (residue 11 and name c2') 2 0 5 2
assign (residue 11 and name o4') (residue 11 and name c1')
       (residue 11 and name c2') (residue 11 and name c3') 2 -22 5 2
assign (residue 11 and name c1') (residue 11 and name c2')
       (residue 11 and name c3') (residue 11 and name c4') 2 36 5 2
assign (residue 11 and name c2') (residue 11 and name c3')
       (residue 11 and name c4') (residue 11 and name o4') 2 -36 5 2

assign (residue 12 and name c4') (residue 12 and name o4')
       (residue 12 and name c1') (residue 12 and name c2') 2 0 5 2
assign (residue 12 and name o4') (residue 12 and name c1')
       (residue 12 and name c2') (residue 12 and name c3') 2 -22 5 2
assign (residue 12 and name c1') (residue 12 and name c2')
       (residue 12 and name c3') (residue 12 and name c4') 2 36 5 2
assign (residue 12 and name c2') (residue 12 and name c3')
       (residue 12 and name c4') (residue 12 and name o4') 2 -36 5 2

assign (residue 13 and name c4') (residue 13 and name o4')
       (residue 13 and name c1') (residue 13 and name c2') 2 0 5 2
assign (residue 13 and name o4') (residue 13 and name c1')
       (residue 13 and name c2') (residue 13 and name c3') 2 -22 5 2
assign (residue 13 and name c1') (residue 13 and name c2')
       (residue 13 and name c3') (residue 13 and name c4') 2 36 5 2
assign (residue 13 and name c2') (residue 13 and name c3')
       (residue 13 and name c4') (residue 13 and name o4') 2 -36 5 2

assign (residue 18 and name c4') (residue 18 and name o4')
       (residue 18 and name c1') (residue 18 and name c2') 2 0 5 2
assign (residue 18 and name o4') (residue 18 and name c1')
       (residue 18 and name c2') (residue 18 and name c3') 2 -22 5 2
assign (residue 18 and name c1') (residue 18 and name c2')
       (residue 18 and name c3') (residue 18 and name c4') 2 36 5 2
assign (residue 18 and name c2') (residue 18 and name c3')
       (residue 18 and name c4') (residue 18 and name o4') 2 -36 5 2

assign (residue 19 and name c4') (residue 19 and name o4')
       (residue 19 and name c1') (residue 19 and name c2') 2 0 5 2
assign (residue 19 and name o4') (residue 19 and name c1')
       (residue 19 and name c2') (residue 19 and name c3') 2 -22 5 2
assign (residue 19 and name c1') (residue 19 and name c2')
       (residue 19 and name c3') (residue 19 and name c4') 2 36 5 2
assign (residue 19 and name c2') (residue 19 and name c3')
       (residue 19 and name c4') (residue 19 and name o4') 2 -36 5 2

assign (residue 20 and name c4') (residue 20 and name o4')
       (residue 20 and name c1') (residue 20 and name c2') 2 0 5 2
assign (residue 20 and name o4') (residue 20 and name c1')
       (residue 20 and name c2') (residue 20 and name c3') 2 -22 5 2
assign (residue 20 and name c1') (residue 20 and name c2')
       (residue 20 and name c3') (residue 20 and name c4') 2 36 5 2
assign (residue 20 and name c2') (residue 20 and name c3')
       (residue 20 and name c4') (residue 20 and name o4') 2 -36 5 2

assign (residue 22 and name c4') (residue 22 and name o4')
       (residue 22 and name c1') (residue 22 and name c2') 2 0 5 2
assign (residue 22 and name o4') (residue 22 and name c1')
       (residue 22 and name c2') (residue 22 and name c3') 2 -22 5 2
assign (residue 22 and name c1') (residue 22 and name c2')
       (residue 22 and name c3') (residue 22 and name c4') 2 36 5 2
assign (residue 22 and name c2') (residue 22 and name c3')
       (residue 22 and name c4') (residue 22 and name o4') 2 -36 5 2

assign (residue 23 and name c4') (residue 23 and name o4')
       (residue 23 and name c1') (residue 23 and name c2') 2 0 5 2
assign (residue 23 and name o4') (residue 23 and name c1')
       (residue 23 and name c2') (residue 23 and name c3') 2 -22 5 2
assign (residue 23 and name c1') (residue 23 and name c2')
       (residue 23 and name c3') (residue 23 and name c4') 2 36 5 2
assign (residue 23 and name c2') (residue 23 and name c3')
       (residue 23 and name c4') (residue 23 and name o4') 2 -36 5 2

assign (residue 24 and name c4') (residue 24 and name o4')
       (residue 24 and name c1') (residue 24 and name c2') 2 0 5 2
assign (residue 24 and name o4') (residue 24 and name c1')
       (residue 24 and name c2') (residue 24 and name c3') 2 -22 5 2
assign (residue 24 and name c1') (residue 24 and name c2')
       (residue 24 and name c3') (residue 24 and name c4') 2 36 5 2
assign (residue 24 and name c2') (residue 24 and name c3')
       (residue 24 and name c4') (residue 24 and name o4') 2 -36 5 2


{ restrain some nucleotides to be 2'-endo }

assign (residue 7 and name c4') (residue 7 and name o4')
       (residue 7 and name c1') (residue 7 and name c2') 2 -18 5 2
assign (residue 7 and name o4') (residue 7 and name c1')
       (residue 7 and name c2') (residue 7 and name c3') 2 34 5 2
assign (residue 7 and name c1') (residue 7 and name c2')
       (residue 7 and name c3') (residue 7 and name c4') 2 -37 5 2
assign (residue 7 and name c2') (residue 7 and name c3')
       (residue 7 and name c4') (residue 7 and name o4') 2 26 5 2

assign (residue 8 and name c4') (residue 8 and name o4')
       (residue 8 and name c1') (residue 8 and name c2') 2 -18 5 2
assign (residue 8 and name o4') (residue 8 and name c1')
       (residue 8 and name c2') (residue 8 and name c3') 2 34 5 2
assign (residue 8 and name c1') (residue 8 and name c2')
       (residue 8 and name c3') (residue 8 and name c4') 2 -37 5 2
assign (residue 8 and name c2') (residue 8 and name c3')
       (residue 8 and name c4') (residue 8 and name o4') 2 26 5 2


{  restrain nucleotides which are mixtures }
{      restrain them to be 2'-endo or 3'-endo or in between }


assign (residue 6 and name c4') (residue 6 and name o4')
       (residue 6 and name c1') (residue 6 and name c2') 2 -20 20 2
assign (residue 6 and name o4') (residue 6 and name c1')
       (residue 6 and name c2') (residue 6 and name c3') 2 15 25 2
assign (residue 6 and name c1') (residue 6 and name c2')
       (residue 6 and name c3') (residue 6 and name c4') 2 0 35 2
assign (residue 6 and name c2') (residue 6 and name c3')
       (residue 6 and name c4') (residue 6 and name o4') 2 0 40 2

assign (residue 9 and name c4') (residue 9 and name o4')
       (residue 9 and name c1') (residue 9 and name c2') 2 -20 20 2
assign (residue 9 and name o4') (residue 9 and name c1')
       (residue 9 and name c2') (residue 9 and name c3') 2 15 25 2
assign (residue 9 and name c1') (residue 9 and name c2')
       (residue 9 and name c3') (residue 9 and name c4') 2 0 35 2
assign (residue 9 and name c2') (residue 9 and name c3')
       (residue 9 and name c4') (residue 9 and name o4') 2 0 40 2

assign (residue 21 and name c4') (residue 21 and name o4')
       (residue 21 and name c1') (residue 21 and name c2') 2 -20 20 2
assign (residue 21 and name o4') (residue 21 and name c1')
       (residue 21 and name c2') (residue 21 and name c3') 2 15 25 2
assign (residue 21 and name c1') (residue 21 and name c2')
       (residue 21 and name c3') (residue 21 and name c4') 2 0 35 2
assign (residue 21 and name c2') (residue 21 and name c3')
       (residue 21 and name c4') (residue 21 and name o4') 2 0 40 2

{restrain some nucleotides to keep the bases anti}

assign (residue 2 and name o4') (residue 2 and name c1')
       (residue 2 and name n9) (residue 2 and name c4) 2 -110 70 2
assign (residue 3 and name o4') (residue 3 and name c1')
       (residue 3 and name n9) (residue 3 and name c4) 2 -110 70 2 
assign (residue 4 and name o4') (residue 4 and name c1')
       (residue 4 and name n1) (residue 4 and name c2) 2 -110 70 2
assign (residue 5 and name o4') (residue 5 and name c1')
       (residue 5 and name n9) (residue 5 and name c4) 2 -110 70 2
assign (residue 6 and name o4') (residue 6 and name c1')
       (residue 6 and name n9) (residue 6 and name c4) 2 -110 70 2
assign (residue 9 and name o4') (residue 9 and name c1')
       (residue 9 and name n9) (residue 9 and name c4) 2 -110 70 2
assign (residue 10 and name o4') (residue 10 and name c1')
       (residue 10 and name n9) (residue 10 and name c4) 2 -110 70 2
assign (residue 11 and name o4') (residue 11 and name c1')
       (residue 11 and name n1) (residue 11 and name c2) 2 -110 70 2
assign (residue 12 and name o4') (residue 12 and name c1')
       (residue 12 and name n1) (residue 12 and name c2) 2 -110 70 2
assign (residue 13 and name o4') (residue 13 and name c1')
       (residue 13 and name n1) (residue 13 and name c2) 2 -110 70 2


assign (residue 18 and name o4') (residue 18 and name c1')
       (residue 18 and name n9) (residue 18 and name c4) 2 -110 70 2
assign (residue 19 and name o4') (residue 19 and name c1')
       (residue 19 and name n9) (residue 19 and name c4) 2 -110 70 2
assign (residue 20 and name o4') (residue 20 and name c1')
       (residue 20 and name n9) (residue 20 and name c4) 2 -110 70 2
assign (residue 21 and name o4') (residue 21 and name c1')
       (residue 21 and name n1) (residue 21 and name c2) 2 -110 70 2
assign (residue 22 and name o4') (residue 22 and name c1')
       (residue 22 and name n9) (residue 22 and name c4) 2 -110 70 2
assign (residue 23 and name o4') (residue 23 and name c1')
       (residue 23 and name n1) (residue 23 and name c2) 2 -110 70 2
assign (residue 24 and name o4') (residue 24 and name c1')
       (residue 24 and name n1) (residue 24 and name c2) 2 -110 70 2

{backbone torsion angle beta}
{used in refinement only}

assign (residue 3 and name p) (residue 3 and name o5')
       (residue 3 and name c5') (residue 3 and name c4') 2 180 20 2
assign (residue 4 and name p) (residue 4 and name o5')
       (residue 4 and name c5') (residue 4 and name c4') 2 180 20 2
assign (residue 11 and name p) (residue 11 and name o5')
       (residue 11 and name c5') (residue 11 and name c4') 2 180 20 2
assign (residue 12 and name p) (residue 12 and name o5')
       (residue 12 and name c5') (residue 12 and name c4') 2 180 20 2
assign (residue 13 and name p) (residue 13 and name o5')
       (residue 13 and name c5') (residue 13 and name c4') 2 180 20 2
assign (residue 19 and name p) (residue 19 and name o5')
       (residue 19 and name c5') (residue 19 and name c4') 2 180 20 2
assign (residue 20 and name p) (residue 20 and name o5')
       (residue 20 and name c5') (residue 20 and name c4') 2 180 20 2
assign (residue 21 and name p) (reside 21 and name o5')
       (residue 21 and name c5') (residue 21 and name c4') 2 180 20 2
assign (residue 23 and name p) (residue 23 and name o5')
       (residue 23 and name c5') (residue 23 and name c4') 2 180 20 2
assign (residue 24 and name p) (residue 24 and name o5')
       (residue 24 and name c5') (residue 24 and name c4') 2 180 20 2


{backbone torsion angle gamma}
{used in refinement only}

assign (residue 2 and name o5') (residue 2 and name c5')
       (residue 2 and name c4') (residue 2 and name c3') 2 55 20 2
assign (residue 3 and name o5') (residue 3 and name c5')
       (residue 3 and name c4') (residue 3 and name c3') 2 55 20 2
assign (residue 4 and name o5') (residue 4 and name c5')
       (residue 4 and name c4') (residue 4 and name c3') 2 55 20 2
assign (residue 11 and name o5') (residue 11 and name c5')
       (residue 11 and name c4') (residue 11 and name c3') 2 55 20 2
assign (residue 12 and name o5') (residue 12 and name c5')
       (residue 12 and name c4') (residue 12 and name c3') 2 55 20 2
assign (residue 13 and name o5') (residue 13 and name c5')
       (residue 13 and name c4') (residue 13 and name c3') 2 55 20 2
assign (residue 18 and name o5') (residue 18 and name c5')
       (residue 18 and name c4') (residue 18 and name c3') 2 55 20 2
assign (residue 19 and name o5') (residue 19 and name c5')
       (residue 19 and name c4') (residue 19 and name c3') 2 55 20 2
assign (residue 20 and name o5') (residue 20 and name c5')
       (residue 20 and name c4') (residue 20 and name c3') 2 55 20 2
assign (residue 21 and name o5') (residue 21 and name c5')
       (residue 21 and name c4') (residue 21 and name c3') 2 55 20 2
assign (residue 23 and name o5') (residue 23 and name c5')
       (residue 23 and name c4') (residue 23 and name c3') 2 55 20 2
assign (residue 24 and name o5') (residue 24 and name c5')
       (residue 24 and name c4') (residue 24 and name c3') 2 55 20 2

{backbone torsion angle epsilon}
{used in refinment only}

assign (residue 2 and name c4') (residue 2 and name c3')
       (residue 2 and name o3') (residue 2 and name p) 2 -155 20 2
assign (residue 3 and name c4') (residue 3 and name c3')
       (residue 3 and name o3') (residue 3 and name p) 2 -155 20 2
assign (residue 10 and name c4') (residue 10 and name c3')
       (residue 10 and name o3') (residue 10 and name p) 2 -155 20 2
assign (residue 11 and name c4') (residue 11 and name c3')
       (residue 11 and name o3') (residue 11 and name p) 2 -155 20 2
assign (residue 12 and name c4') (residue 12 and name c3')
       (residue 12 and name o3') (residue 12 and name p) 2 -155 20 2
assign (residue 18 and name c4') (residue 18 and name c3')
       (residue 18 and name o3') (residue 18 and name p) 2 -155 20 2
assign (residue 19 and name c4') (residue 19 and name c3')
       (residue 19 and name o3') (residue 19 and name p) 2 -155 20 2
assign (residue 20 and name c4') (residue 20 and name c3')
       (residue 20 and name o3') (residue 20 and name p) 2 -155 20 2
assign (residue 22 and name c4') (residue 22 and name c3')
       (residue 22 and name o3') (residue 22 and name p) 2 -155 20 2
assign (residue 23 and name c4') (residue 23 and name c3')
       (residue 23 and name o3') (residue 23 and name p) 2 -155 20 2

{backbone torsion angle alpha}
{used in refinement only}

assign (residue 2 and name o3') (residue 3 and name p)
       (residue 3 and name o5') (residue 3 and name c5') 2 -70 30 2
assign (residue 3 and name o3') (residue 4 and name p)
       (residue 4 and name o5') (residue 4 and name c5') 2 -70 30 2
assign (residue 10 and name o3') (residue 11 and name p)
       (residue 11 and name o5') (residue 11 and name c5') 2 -70 30 2
assign (residue 11 and name o3') (residue 12 and name p)
       (residue 12 and name o5') (residue 12 and name c5') 2 -70 30 2
assign (residue 12 and name o3') (residue 13 and name p)
       (residue 13 and name o5') (residue 13 and name c5') 2 -70 30 2
assign (residue 18 and name o3') (residue 19 and name p)
       (residue 19 and name o5') (residue 19 and name c5') 2 -70 30 2
assign (residue 19 and name o3') (residue 20 and name p)
       (residue 20 and name o5') (residue 20 and name c5') 2 -70 30 2
assign (residue 20 and name o3') (residue 21 and name p)
       (residue 21 and name o5') (residue 21 and name c5') 2 -70 30 2
assign (residue 22 and name o3') (residue 23 and name p)
       (residue 23 and name o5') (residue 23 and name c5') 2 -70 30 2
assign (residue 23 and name o3') (residue 24 and name p)
       (residue 24 and name o5') (residue 24 and name c5') 2 -70 30 2

{backbone torsion angle zeta}
{used in refinement only}

assign (residue 2 and name c3') (residue 2 and name o3')
       (residue 3 and name p) (residue 3 and name o5') 2 -70 30 2
assign (residue 3 and name c3') (residue 3 and name o3')
       (residue 4 and name p) (residue 4 and name o5') 2 -70 30 2
assign (residue 10 and name c3') (residue 11 and name o3')
       (residue 11 and name p) (residue 11 and name o5') 2 -70 30 2
assign (residue 11 and name c3') (residue 11 and name o3')
       (residue 12 and name p) (residue 12 and name o5') 2 -70 30 2
assign (residue 12 and name c3') (residue 12 and name o3')
       (residue 13 and name p) (residue 13 and name o5') 2 -70 30 2
assign (residue 18 and name c3') (residue 18 and name o3')
       (residue 19 and name p) (residue 19 and name o5') 2 -70 30 2
assign (residue 19 and name c3') (residue 19 and name o3')
       (residue 20 and name p) (residue 20 and name o5') 2 -70 30 2
assign (residue 20 and name c3') (residue 20 and name o3')
       (residue 21 and name p) (residue 21 and name o5') 2 -70 30 2
assign (residue 22 and name c3') (residue 22 and name o3')
       (residue 23 and name p) (residue 23 and name o5') 2 -70 30 2
assign (residue 23 and name c3') (residue 23 and name o3')
       (residue 24 and name p) (residue 24 and name o5') 2 -70 30 2
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 9:11:37 AM GMT (wattos1)
image	mrblock_id	pdb_id	cing	stage	position	program	type
	1374	1ajt	cing	1-original	4	XPLOR/CNS	dihedral angle