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

12402 1sxe 5399 cing 1-original 2 XPLOR/CNS dihedral angle
!phi_angles -- average of TALOS and SHIFTOR (J is also noted)
!helices
assign ( resid 20 and name C ) ( resid 21 and name N )
       ( resid 21 and name CA ) ( resid 21 and name C ) 1.000 -98.000 60.000 2 !PHI --just TALOS
!assign ( resid 21 and name C ) ( resid 22 and name N )
!       ( resid 22 and name CA ) ( resid 22 and name C ) 1.000 -84.000 30.000 2 !PHI J=8.7 -- not great TALOS/SHIFTOR
!assign ( resid 22 and name C ) ( resid 23 and name N )
!       ( resid 23 and name CA ) ( resid 23 and name C ) 1.000 -116.000 30.000 2 !PHI -- bad
assign ( resid 23 and name C ) ( resid 24 and name N )
       ( resid 24 and name CA ) ( resid 24 and name C ) 1.000 -62.000 60.000 2 !PHI -- just SHIFTOR
assign ( resid 24 and name C ) ( resid 25 and name N )
       ( resid 25 and name CA ) ( resid 25 and name C ) 1.000 -62.000 30.000 2 !PHI J=4.5 -- just SHIFTOR
!assign ( resid 25 and name C ) ( resid 26 and name N )
!       ( resid 26 and name CA ) ( resid 26 and name C ) 1.000 -118.000 30.000 2 !PHI J=8.6 -- good agreement, but bad confidence...
assign ( resid 26 and name C ) ( resid 27 and name N )
       ( resid 27 and name CA ) ( resid 27 and name C ) 1.000 -61.000 60.000 2 !PHI -- just SHIFTOR
assign ( resid 27 and name C ) ( resid 28 and name N )
       ( resid 28 and name CA ) ( resid 28 and name C ) 1.000 -69.000 30.000 2 !PHI J=6.7
!assign ( resid 28 and name C ) ( resid 29 and name N )
!       ( resid 29 and name CA ) ( resid 29 and name C ) 1.000 -90.000 30.000 2 !PHI J=11.7 -- too much disagreement
assign ( resid 29 and name C ) ( resid 30 and name N )
       ( resid 30 and name CA ) ( resid 30 and name C ) 1.000 -87.000 60.000 2 !PHI J=4.0 -- just TALOS
assign ( resid 30 and name C ) ( resid 31 and name N )
       ( resid 31 and name CA ) ( resid 31 and name C ) 1.000 -91.000 30.000 2 !PHI J=8.9 -- good
assign ( resid 31 and name C ) ( resid 32 and name N )
       ( resid 32 and name CA ) ( resid 32 and name C ) 1.000 -63.000 30.000 2 !PHI J=4.5 a-helix
assign ( resid 32 and name C ) ( resid 33 and name N ) 
       ( resid 33 and name CA ) ( resid 33 and name C ) 1.000 -65.000 30.000 2 !PHI J=6.5 a-helix
assign ( resid 33 and name C ) ( resid 34 and name N )
       ( resid 34 and name CA ) ( resid 34 and name C ) 1.000 -63.000 30.000 2 !PHI J=5.6 a-helix
assign ( resid 34 and name C ) ( resid 35 and name N )
       ( resid 35 and name CA ) ( resid 35 and name C ) 1.000 -62.000 30.000 2 !PHI J=4.4 a-helix
assign ( resid 35 and name C ) ( resid 36 and name N )
       ( resid 36 and name CA ) ( resid 36 and name C ) 1.000 -63.000 30.000 2 !PHI a-helix
assign ( resid 36 and name C ) ( resid 37 and name N )
       ( resid 37 and name CA ) ( resid 37 and name C ) 1.000 -64.000 30.000 2 !PHI a-helix
assign ( resid 37 and name C ) ( resid 38 and name N )
       ( resid 38 and name CA ) ( resid 38 and name C ) 1.000 -67.000 30.000 2 !PHI J=4.8 a-helix
assign ( resid 38 and name C ) ( resid 39 and name N )
       ( resid 39 and name CA ) ( resid 39 and name C ) 1.000 -64.000 30.000 2 !PHI J=4.2 a-helix
assign ( resid 39 and name C ) ( resid 40 and name N )
       ( resid 40 and name CA ) ( resid 40 and name C ) 1.000 -64.000 30.000 2 !PHI J=4.5 a-helix
assign ( resid 40 and name C ) ( resid 41 and name N )
       ( resid 41 and name CA ) ( resid 41 and name C ) 1.000 -68.000 30.000 2 !PHI a-helix
assign ( resid 41 and name C ) ( resid 42 and name N )
       ( resid 42 and name CA ) ( resid 42 and name C ) 1.000 -61.000 30.000 2 !PHI J=4.4 a-helix
assign ( resid 42 and name C ) ( resid 43 and name N )
       ( resid 43 and name CA ) ( resid 43 and name C ) 1.000 -66.000 30.000 2 !PHI J=4.1 a-helix
assign ( resid 43 and name C ) ( resid 44 and name N )
       ( resid 44 and name CA ) ( resid 44 and name C ) 1.000 -63.000 30.000 2 !PHI J=7.4 -- good
assign ( resid 44 and name C ) ( resid 45 and name N )
       ( resid 45 and name CA ) ( resid 45 and name C ) 1.000 -65.000 30.000 2 !PHI -- good
assign ( resid 45 and name C ) ( resid 46 and name N )
       ( resid 46 and name CA ) ( resid 46 and name C ) 1.000 -98.000 30.000 2 !PHI J=9.2 -- good
assign ( resid 46 and name C ) ( resid 47 and name N )
       ( resid 47 and name CA ) ( resid 47 and name C ) 1.000 60.000 60.000 2 !PHI J=7.6 -- good, but variable
!assign ( resid 47 and name C ) ( resid 48 and name N )
!       ( resid 48 and name CA ) ( resid 48 and name C ) 1.000 -102.000 30.000 2 !PHI - bad
assign ( resid 48 and name C ) ( resid 49 and name N )
       ( resid 49 and name CA ) ( resid 49 and name C ) 1.000 -66.000 45.000 2 !PHI -- just SHIFTOR
!assign ( resid 49 and name C ) ( resid 50 and name N )
!       ( resid 50 and name CA ) ( resid 50 and name C ) 1.000 -80.000 30.000 2 !PHI -- bad
assign ( resid 50 and name C ) ( resid 51 and name N )
       ( resid 51 and name CA ) ( resid 51 and name C ) 1.000 -90.000 45.000 2 !PHI -- just TALOS
assign ( resid 51 and name C ) ( resid 52 and name N )
       ( resid 52 and name CA ) ( resid 52 and name C ) 1.000 -88.000 30.000 2 !PHI J=9.0 -- good
assign ( resid 52 and name C ) ( resid 53 and name N )
       ( resid 53 and name CA ) ( resid 53 and name C ) 1.000 -61.000 30.000 2 !PHI J=4.5 -- helix?
assign ( resid 53 and name C ) ( resid 54 and name N )
       ( resid 54 and name CA ) ( resid 54 and name C ) 1.000 -63.000 30.000 2 !PHI -- helix?
assign ( resid 54 and name C ) ( resid 55 and name N )
       ( resid 55 and name CA ) ( resid 55 and name C ) 1.000 -68.000 30.000 2 !PHI J=6.2 -- helix?
assign ( resid 55 and name C ) ( resid 56 and name N )
       ( resid 56 and name CA ) ( resid 56 and name C ) 1.000 -100.000 30.000 2 !PHI J=9.9 -- all agree, use TALOS (better confidence)
!assign ( resid 56 and name C ) ( resid 57 and name N )
!       ( resid 57 and name CA ) ( resid 57 and name C ) 1.000 -63.000 30.000 2 !PHI J=3.1 -- don't agreee
assign ( resid 57 and name C ) ( resid 58 and name N )
       ( resid 58 and name CA ) ( resid 58 and name C ) 1.000 -91.000 60.000 2 !PHI J=9.7 -- only SHIFTOR
assign ( resid 58 and name C ) ( resid 59 and name N )
       ( resid 59 and name CA ) ( resid 59 and name C ) 1.000 -83.000 45.000 2 !PHI J=9.4 -- good TALOS
assign ( resid 59 and name C ) ( resid 60 and name N )
       ( resid 60 and name CA ) ( resid 60 and name C ) 1.000 -122.000 60.000 2 !PHI J=9.8 -- just TALOS
assign ( resid 60 and name C ) ( resid 61 and name N )
       ( resid 61 and name CA ) ( resid 61 and name C ) 1.000 -65.000 30.000 2 !PHI J=6.2 a-helix
assign ( resid 61 and name C ) ( resid 62 and name N )
       ( resid 62 and name CA ) ( resid 62 and name C ) 1.000 -64.000 30.000 2 !PHI J=4.7 a-helix
assign ( resid 62 and name C ) ( resid 63 and name N )
       ( resid 63 and name CA ) ( resid 63 and name C ) 1.000 -65.000 30.000 2 !PHI a-helix
assign ( resid 63 and name C ) ( resid 64 and name N )
       ( resid 64 and name CA ) ( resid 64 and name C ) 1.000 -64.000 30.000 2 !PHI J=3.4 a-helix
assign ( resid 64 and name C ) ( resid 65 and name N )
       ( resid 65 and name CA ) ( resid 65 and name C ) 1.000 -66.000 30.000 2 !PHI J=5.5 a-helix
!assign ( resid 65 and name C ) ( resid 66 and name N )
!       ( resid 66 and name CA ) ( resid 66 and name C ) 1.000 -84.000 30.000 2 !PHI J=9.9 -- good SHIFTOR, bad TALOS, J doesn't agree
!assign ( resid 66 and name C ) ( resid 67 and name N )
!       ( resid 67 and name CA ) ( resid 67 and name C ) 1.000 -78.000 30.000 2 !PHI J=5.4 -- bad SHIFTOR, TALOS  J?
assign ( resid 67 and name C ) ( resid 68 and name N )
       ( resid 68 and name CA ) ( resid 68 and name C ) 1.000 -108.000 30.000 2 !PHI J=9.3 -- just TALOS (but SHIFTOR agrees)
assign ( resid 68 and name C ) ( resid 69 and name N )
       ( resid 69 and name CA ) ( resid 69 and name C ) 1.000 -61.000 30.000 2 !PHI J=3.7 a-helix
assign ( resid 69 and name C ) ( resid 70 and name N )
       ( resid 70 and name CA ) ( resid 70 and name C ) 1.000 -64.000 30.000 2 !PHI J=4.6 a-helix
assign ( resid 70 and name C ) ( resid 71 and name N )
       ( resid 71 and name CA ) ( resid 71 and name C ) 1.000 -64.000 30.000 2 !PHI a-helix
assign ( resid 71 and name C ) ( resid 72 and name N )
       ( resid 72 and name CA ) ( resid 72 and name C ) 1.000 -63.000 30.000 2 !PHI J=5.3 a-helix
assign ( resid 72 and name C ) ( resid 73 and name N )
       ( resid 73 and name CA ) ( resid 73 and name C ) 1.000 -67.000 30.000 2 !PHI J=4.9 a-helix
assign ( resid 73 and name C ) ( resid 74 and name N )
       ( resid 74 and name CA ) ( resid 74 and name C ) 1.000 -66.000 60.000 2 !PHI J=7.5 -- not 'quite' helix
!assign ( resid 74 and name C ) ( resid 75 and name N )
!       ( resid 75 and name CA ) ( resid 75 and name C ) 1.000 -94.000 30.000 2 !PHI J=11.9 -- not good agreement or confidence
!assign ( resid 75 and name C ) ( resid 76 and name N )
!       ( resid 76 and name CA ) ( resid 76 and name C ) 1.000 -126.000 45.000 2 !PHI J=8.2 -- good prediction, some variance
!assign ( resid 76 and name C ) ( resid 77 and name N )
!       ( resid 77 and name CA ) ( resid 77 and name C ) 1.000 -80.000 30.000 2 !PHI -- too much variation
!assign ( resid 77 and name C ) ( resid 78 and name N )
!       ( resid 78 and name CA ) ( resid 78 and name C ) 1.000 -61.000 30.000 2 !PHI -- weak? could maybe include...
!assign ( resid 78 and name C ) ( resid 79 and name N )
!       ( resid 79 and name CA ) ( resid 79 and name C ) 1.000 -63.000 30.000 2 !PHI -- weak? could maybe include..
!assign ( resid 79 and name C ) ( resid 80 and name N )
!       ( resid 80 and name CA ) ( resid 80 and name C ) 1.000 -67.000 30.000 2 !PHI J=8.2 -- weak? could maybe include..
assign ( resid 80 and name C ) ( resid 81 and name N )
       ( resid 81 and name CA ) ( resid 81 and name C ) 1.000 -63.000 30.000 2 !PHI J=4.1 a-helix
assign ( resid 81 and name C ) ( resid 82 and name N )
       ( resid 82 and name CA ) ( resid 82 and name C ) 1.000 -62.000 30.000 2 !PHI a-helix
assign ( resid 82 and name C ) ( resid 83 and name N )
       ( resid 83 and name CA ) ( resid 83 and name C ) 1.000 -67.000 30.000 2 !PHI J=6.0 a-helix
assign ( resid 83 and name C ) ( resid 84 and name N )
       ( resid 84 and name CA ) ( resid 84 and name C ) 1.000 -63.000 30.000 2 !PHI a-helix
assign ( resid 84 and name C ) ( resid 85 and name N )
       ( resid 85 and name CA ) ( resid 85 and name C ) 1.000 -64.000 30.000 2 !PHI J=4.5 a-helix
assign ( resid 85 and name C ) ( resid 86 and name N )
       ( resid 86 and name CA ) ( resid 86 and name C ) 1.000 -63.000 30.000 2 !PHI J=5.6 a-helix
assign ( resid 86 and name C ) ( resid 87 and name N )
       ( resid 87 and name CA ) ( resid 87 and name C ) 1.000 -65.000 30.000 2 !PHI a-helix
assign ( resid 87 and name C ) ( resid 88 and name N )
       ( resid 88 and name CA ) ( resid 88 and name C ) 1.000 -63.000 30.000 2 !PHI J=4.6 a-helix
assign ( resid 88 and name C ) ( resid 89 and name N )
       ( resid 89 and name CA ) ( resid 89 and name C ) 1.000 -62.000 30.000 2 !PHI a-helix
assign ( resid 89 and name C ) ( resid 90 and name N )
       ( resid 90 and name CA ) ( resid 90 and name C ) 1.000 -65.000 30.000 2 !PHI J=5.4 a-helix
assign ( resid 90 and name C ) ( resid 91 and name N )
       ( resid 91 and name CA ) ( resid 91 and name C ) 1.000 -62.000 30.000 2 !PHI J=5.1 a-helix
assign ( resid 91 and name C ) ( resid 92 and name N )
       ( resid 92 and name CA ) ( resid 92 and name C ) 1.000 -65.000 30.000 2 !PHI J=6.5 a-helix
assign ( resid 92 and name C ) ( resid 93 and name N )
       ( resid 93 and name CA ) ( resid 93 and name C ) 1.000 -86.000 30.000 2 !PHI J=7.8 -- SHIFTOR and J only
!
!psi_angles -- TALOS and SHIFTOR predictions
!
!assign ( resid 21 and name N ) ( resid 21 and name CA )
!       ( resid 21 and name C ) ( resid 22 and name N ) 1.000 125.000 45.000 2 !PSI -- just TALOS
!assign ( resid 22 and name N ) ( resid 22 and name CA )
!       ( resid 22 and name C ) ( resid 23 and name N ) 1.000 128.000 30.000 2 !PSI -- bad confidence
!assign ( resid 23 and name N ) ( resid 23 and name CA )
!       ( resid 23 and name C ) ( resid 24 and name N ) 1.000 152.000 30.000 2 !PSI -- bad confidence
assign ( resid 24 and name N ) ( resid 24 and name CA )
       ( resid 24 and name C ) ( resid 25 and name N ) 1.000 140.000 60.000 2 !PSI -- just SHIFTOR (and not completely great...)
!assign ( resid 25 and name N ) ( resid 25 and name CA )
!       ( resid 25 and name C ) ( resid 26 and name N ) 1.000 -33.000 30.000 2 !PSI -- bad confidence
!assign ( resid 26 and name N ) ( resid 26 and name CA )
!       ( resid 26 and name C ) ( resid 27 and name N ) 1.000 117.000 30.000 2 !PSI -- VERY BAD
!assign ( resid 27 and name N ) ( resid 27 and name CA )
!       ( resid 27 and name C ) ( resid 28 and name N ) 1.000 146.000 30.000 2 !PSI -- not great agreement
assign ( resid 28 and name N ) ( resid 28 and name CA )
       ( resid 28 and name C ) ( resid 29 and name N ) 1.000 -39.000 45.000 2 !PSI -- good agreement
!assign ( resid 29 and name N ) ( resid 29 and name CA )
!       ( resid 29 and name C ) ( resid 30 and name N ) 1.000 -15.000 30.000 2 !PSI -- not great
assign ( resid 30 and name N ) ( resid 30 and name CA )
       ( resid 30 and name C ) ( resid 31 and name N ) 1.000 138.000 60.000 2 !PSI -- good agreement, OK confidence
assign ( resid 31 and name N ) ( resid 31 and name CA )
       ( resid 31 and name C ) ( resid 32 and name N ) 1.000 168.000 60.000 2 !PSI -- good agreement, OK confidence
assign ( resid 32 and name N ) ( resid 32 and name CA )
       ( resid 32 and name C ) ( resid 33 and name N ) 1.000 -33.000 30.000 2 !PSI a-helix
assign ( resid 33 and name N ) ( resid 33 and name CA )
       ( resid 33 and name C ) ( resid 34 and name N ) 1.000 -41.000 30.000 2 !PSI a-helix
assign ( resid 34 and name N ) ( resid 34 and name CA )
       ( resid 34 and name C ) ( resid 35 and name N ) 1.000 -47.000 30.000 2 !PSI a-helix
assign ( resid 35 and name N ) ( resid 35 and name CA )
       ( resid 35 and name C ) ( resid 36 and name N ) 1.000 -44.000 30.000 2 !PSI a-helix
assign ( resid 36 and name N ) ( resid 36 and name CA )
       ( resid 36 and name C ) ( resid 37 and name N ) 1.000 -41.000 30.000 2 !PSI a-helix
assign ( resid 37 and name N ) ( resid 37 and name CA )
       ( resid 37 and name C ) ( resid 38 and name N ) 1.000 -44.000 30.000 2 !PSI a-helix
assign ( resid 38 and name N ) ( resid 38 and name CA )
       ( resid 38 and name C ) ( resid 39 and name N ) 1.000 -42.000 30.000 2 !PSI a-helix
assign ( resid 39 and name N ) ( resid 39 and name CA )
       ( resid 39 and name C ) ( resid 40 and name N ) 1.000 -42.000 30.000 2 !PSI a-helix
assign ( resid 40 and name N ) ( resid 40 and name CA )
       ( resid 40 and name C ) ( resid 41 and name N ) 1.000 -42.000 30.000 2 !PSI a-helix
assign ( resid 41 and name N ) ( resid 41 and name CA )
       ( resid 41 and name C ) ( resid 42 and name N ) 1.000 -42.000 30.000 2 !PSI a-helix
assign ( resid 42 and name N ) ( resid 42 and name CA )
       ( resid 42 and name C ) ( resid 43 and name N ) 1.000 -40.000 30.000 2 !PSI a-helix
assign ( resid 43 and name N ) ( resid 43 and name CA )
       ( resid 43 and name C ) ( resid 44 and name N ) 1.000 -40.000 30.000 2 !PSI a-helix
assign ( resid 44 and name N ) ( resid 44 and name CA )
       ( resid 44 and name C ) ( resid 45 and name N ) 1.000 -41.000 30.000 2 !PSI -- both good, could be helix?
assign ( resid 45 and name N ) ( resid 45 and name CA )
       ( resid 45 and name C ) ( resid 46 and name N ) 1.000 -34.000 30.000 2 !PSI -- both good, could be helix?
assign ( resid 46 and name N ) ( resid 46 and name CA )
       ( resid 46 and name C ) ( resid 47 and name N ) 1.000 6.000 30.000 2 !PSI -- both good
assign ( resid 47 and name N ) ( resid 47 and name CA )
       ( resid 47 and name C ) ( resid 48 and name N ) 1.000 28.000 45.000 2 !PSI -- good agreement, some variance
!assign ( resid 48 and name N ) ( resid 48 and name CA )
!       ( resid 48 and name C ) ( resid 49 and name N ) 1.000 134.000 30.000 2 !PSI -- VERY BAD
!assign ( resid 49 and name N ) ( resid 49 and name CA )
!       ( resid 49 and name C ) ( resid 50 and name N ) 1.000 138.000 30.000 2 !PSI -- BAD
!assign ( resid 50 and name N ) ( resid 50 and name CA )
!       ( resid 50 and name C ) ( resid 51 and name N ) 1.000 67.000 30.000 2 !PSI -- VERY BAD
assign ( resid 51 and name N ) ( resid 51 and name CA )
       ( resid 51 and name C ) ( resid 52 and name N ) 1.000 127.000 45.000 2 !PSI -- good agreement, some variance
!assign ( resid 52 and name N ) ( resid 52 and name CA )
!      ( resid 52 and name C ) ( resid 53 and name N ) 1.000 119.000 30.000 2 !PSI -- bad agreement
!assign ( resid 53 and name N ) ( resid 53 and name CA )
!       ( resid 53 and name C ) ( resid 54 and name N ) 1.000 -33.000 30.000 2 !PSI -- helix?
!assign ( resid 54 and name N ) ( resid 54 and name CA )
!       ( resid 54 and name C ) ( resid 55 and name N ) 1.000 -38.000 30.000 2 !PSI -- helix?
!assign ( resid 55 and name N ) ( resid 55 and name CA )
!       ( resid 55 and name C ) ( resid 56 and name N ) 1.000 -29.000 30.000 2 !PSI -- helix?
assign ( resid 56 and name N ) ( resid 56 and name CA )
       ( resid 56 and name C ) ( resid 57 and name N ) 1.000 -9.000 45.000 2 !PSI -- good, but some variance
!assign ( resid 57 and name N ) ( resid 57 and name CA )
!       ( resid 57 and name C ) ( resid 58 and name N ) 1.000 -32.000 30.000 2 !PSI -- not good
!assign ( resid 58 and name N ) ( resid 58 and name CA )
!       ( resid 58 and name C ) ( resid 59 and name N ) 1.000 -69.000 30.000 2 !PSI -- VERY BAD
assign ( resid 59 and name N ) ( resid 59 and name CA )
       ( resid 59 and name C ) ( resid 60 and name N ) 1.000 136.000 60.000 2 !PSI -- good agreement, some variance
!assign ( resid 60 and name N ) ( resid 60 and name CA )
!       ( resid 60 and name C ) ( resid 61 and name N ) 1.000 125.000 30.000 2 !PSI -- bad
assign ( resid 61 and name N ) ( resid 61 and name CA )
       ( resid 61 and name C ) ( resid 62 and name N ) 1.000 -35.000 30.000 2 !PHI a-helix
assign ( resid 62 and name N ) ( resid 62 and name CA )
       ( resid 62 and name C ) ( resid 63 and name N ) 1.000 -43.000 30.000 2 !PSI a-helix
assign ( resid 63 and name N ) ( resid 63 and name CA )
       ( resid 63 and name C ) ( resid 64 and name N ) 1.000 -41.000 30.000 2 !PSI a-helix
assign ( resid 64 and name N ) ( resid 64 and name CA )
       ( resid 64 and name C ) ( resid 65 and name N ) 1.000 -42.000 30.000 2 !PSI a-helix
assign ( resid 65 and name N ) ( resid 65 and name CA )
       ( resid 65 and name C ) ( resid 66 and name N ) 1.000 -37.000 30.000 2 !PSI a-helix
!assign ( resid 66 and name N ) ( resid 66 and name CA )
!      ( resid 66 and name C ) ( resid 67 and name N ) 1.000 -15.000 30.000 2 !PSI -- not great
!assign ( resid 67 and name N ) ( resid 67 and name CA )
!       ( resid 67 and name C ) ( resid 68 and name N ) 1.000 141.000 30.000 2 !PSI -- BAD!
assign ( resid 68 and name N ) ( resid 68 and name CA )
       ( resid 68 and name C ) ( resid 69 and name N ) 1.000 170.000 45.000 2 !PSI -- good agreement, some variance
assign ( resid 69 and name N ) ( resid 69 and name CA )
       ( resid 69 and name C ) ( resid 70 and name N ) 1.000 -37.000 30.000 2 !PSI a-helix
assign ( resid 70 and name N ) ( resid 70 and name CA )
       ( resid 70 and name C ) ( resid 71 and name N ) 1.000 -38.000 30.000 2 !PSI a-helix
assign ( resid 71 and name N ) ( resid 71 and name CA )
       ( resid 71 and name C ) ( resid 72 and name N ) 1.000 -42.000 30.000 2 !PSI a-helix
assign ( resid 72 and name N ) ( resid 72 and name CA )
       ( resid 72 and name C ) ( resid 73 and name N ) 1.000 -40.000 30.000 2 !PSI a-helix
assign ( resid 73 and name N ) ( resid 73 and name CA )
       ( resid 73 and name C ) ( resid 74 and name N ) 1.000 -35.000 30.000 2 !PSI a=helix
assign ( resid 74 and name N ) ( resid 74 and name CA )
       ( resid 74 and name C ) ( resid 75 and name N ) 1.000 -28.000 30.000 2 !PSI -- good
!assign ( resid 75 and name N ) ( resid 75 and name CA )
!       ( resid 75 and name C ) ( resid 76 and name N ) 1.000 -18.000 30.000 2 !PSI -- BAD
!assign ( resid 76 and name N ) ( resid 76 and name CA )
!      ( resid 76 and name C ) ( resid 77 and name N ) 1.000 138.000 30.000 2 !PSI -- not good (could use TALOS only...)
!assign ( resid 77 and name N ) ( resid 77 and name CA )
!       ( resid 77 and name C ) ( resid 78 and name N ) 1.000 140.000 30.000 2 !PSI -- BAD
!assign ( resid 78 and name N ) ( resid 78 and name CA )
!       ( resid 78 and name C ) ( resid 79 and name N ) 1.000 -32.000 30.000 2 !PSI -- good
!assign ( resid 79 and name N ) ( resid 79 and name CA )
!       ( resid 79 and name C ) ( resid 80 and name N ) 1.000 -41.000 30.000 2 !PSI -- good
!assign ( resid 80 and name N ) ( resid 80 and name CA )
!       ( resid 80 and name C ) ( resid 81 and name N ) 1.000 -37.000 45.000 2 !PSI -- OK
assign ( resid 81 and name N ) ( resid 81 and name CA )
       ( resid 81 and name C ) ( resid 82 and name N ) 1.000 -44.000 30.000 2 !PSI a-helix
assign ( resid 82 and name N ) ( resid 82 and name CA )
       ( resid 82 and name C ) ( resid 83 and name N ) 1.000 -43.000 30.000 2 !PSI a-helix
assign ( resid 83 and name N ) ( resid 83 and name CA )
       ( resid 83 and name C ) ( resid 84 and name N ) 1.000 -42.000 30.000 2 !PSI a-helix
assign ( resid 84 and name N ) ( resid 84 and name CA )
       ( resid 84 and name C ) ( resid 85 and name N ) 1.000 -41.000 30.000 2 !PSI a-helix
assign ( resid 85 and name N ) ( resid 85 and name CA )
       ( resid 85 and name C ) ( resid 86 and name N ) 1.000 -43.000 30.000 2 !PSI a-helix
assign ( resid 86 and name N ) ( resid 86 and name CA )
       ( resid 86 and name C ) ( resid 87 and name N ) 1.000 -39.000 30.000 2 !PSI a-helix
assign ( resid 87 and name N ) ( resid 87 and name CA )
       ( resid 87 and name C ) ( resid 88 and name N ) 1.000 -44.000 30.000 2 !PSI a-helix
assign ( resid 88 and name N ) ( resid 88 and name CA )
       ( resid 88 and name C ) ( resid 89 and name N ) 1.000 -41.000 30.000 2 !PSI a-helix
assign ( resid 89 and name N ) ( resid 89 and name CA )
       ( resid 89 and name C ) ( resid 90 and name N ) 1.000 -44.000 30.000 2 !PSI a-helix
assign ( resid 90 and name N ) ( resid 90 and name CA )
       ( resid 90 and name C ) ( resid 91 and name N ) 1.000 -38.000 30.000 2 !PSI a-helix
assign ( resid 91 and name N ) ( resid 91 and name CA )
       ( resid 91 and name C ) ( resid 92 and name N ) 1.000 -37.000 30.000 2 !PSI a-helix
assign ( resid 92 and name N ) ( resid 92 and name CA )
       ( resid 92 and name C ) ( resid 93 and name N ) 1.000 -33.000 30.000 2 !PSI a-helix
Please acknowledge these references in publications where the data from this site have been utilized.
Contact the webmaster for help, if required. Friday, May 10, 2024 9:11:49 AM GMT (wattos1)
image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type
	12402	1sxe	5399	cing	1-original	2	XPLOR/CNS	dihedral angle