==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/SIGNALING PROTEIN 27-JUN-07 2JRI . COMPND 2 MOLECULE: ATAXIN-3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.NICASTRO,L.MASINO,V.ESPOSITO,R.MENON,A.PASTORE . 334 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16522.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 241 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 17.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 50 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 23.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 3 1 0 1 0 0 0 3 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 6 1 3 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M 0 0 192 0, 0.0 3,-0.2 0, 0.0 173,-0.1 0.000 360.0 360.0 360.0 67.8 -17.7 -20.7 12.4 2 2 A E + 0 0 125 1,-0.2 2,-1.0 171,-0.1 172,-0.1 0.828 360.0 11.7 -92.2 -89.0 -14.1 -21.6 11.8 3 3 A S S S+ 0 0 62 2,-0.1 2,-0.4 170,-0.1 -1,-0.2 -0.785 82.8 145.8 -98.0 95.2 -12.3 -19.3 9.4 4 4 A I - 0 0 53 -2,-1.0 2,-2.1 -3,-0.2 21,-0.1 -0.999 54.7-122.2-133.7 130.7 -14.5 -16.3 9.0 5 5 A F + 0 0 90 -2,-0.4 2,-0.8 19,-0.3 -2,-0.1 -0.501 47.5 161.8 -71.9 81.8 -13.4 -12.7 8.5 6 6 A H + 0 0 116 -2,-2.1 2,-0.3 2,-0.0 -1,-0.1 -0.793 10.1 174.1-109.2 87.5 -15.2 -11.4 11.5 7 7 A E - 0 0 111 -2,-0.8 2,-0.4 10,-0.1 -2,-0.0 -0.661 15.3-152.3 -93.8 150.6 -13.8 -8.0 12.4 8 8 A K + 0 0 135 -2,-0.3 2,-0.3 2,-0.0 127,-0.1 -0.958 24.9 146.2-125.4 142.2 -15.1 -5.7 15.1 9 9 A Q - 0 0 31 -2,-0.4 2,-0.3 126,-0.2 3,-0.1 -0.973 18.1-168.4-164.2 163.6 -14.9 -1.9 15.3 10 10 A E + 0 0 149 -2,-0.3 249,-0.1 1,-0.2 126,-0.0 -0.983 52.7 55.8-159.2 152.2 -16.9 1.2 16.5 11 11 A G S S- 0 0 42 247,-0.3 -1,-0.2 -2,-0.3 248,-0.1 0.938 107.1 -42.0 85.0 78.6 -16.8 4.9 16.3 12 12 A S S S+ 0 0 19 246,-0.3 61,-0.1 1,-0.1 62,-0.1 -0.022 99.0 93.9 63.6-172.0 -16.7 6.0 12.6 13 13 A L >> + 0 0 55 60,-0.4 3,-1.4 59,-0.1 4,-0.5 0.769 46.4 151.4 59.1 27.4 -14.7 4.3 9.9 14 14 A C H >> + 0 0 2 1,-0.3 4,-1.8 2,-0.2 3,-1.3 0.821 64.0 62.7 -57.6 -33.2 -17.8 2.2 9.2 15 15 A A H 3> S+ 0 0 3 58,-0.5 4,-2.5 1,-0.3 5,-0.3 0.808 91.9 66.1 -63.8 -27.6 -16.7 1.9 5.6 16 16 A Q H <> S+ 0 0 63 -3,-1.4 4,-0.6 57,-0.3 -1,-0.3 0.759 109.1 37.4 -66.2 -23.6 -13.6 -0.0 6.8 17 17 A H H X S+ 0 0 3 -4,-2.5 3,-1.8 1,-0.2 4,-0.6 0.866 110.5 62.5 -73.6 -35.9 -15.5 -3.3 2.6 20 20 A N H 3< S+ 0 0 3 -4,-0.6 -1,-0.2 -5,-0.3 -2,-0.2 0.698 117.7 30.1 -61.7 -20.1 -13.9 -5.7 5.0 21 21 A N T 3< S+ 0 0 4 -4,-0.8 3,-0.4 -3,-0.4 -1,-0.3 -0.004 96.3 97.2-129.6 28.1 -17.1 -7.8 4.8 22 22 A L T <4 S+ 0 0 2 -3,-1.8 2,-1.0 3,-0.3 -2,-0.1 0.975 89.1 35.1 -79.3 -66.9 -18.1 -6.9 1.2 23 23 A L S < S- 0 0 8 -4,-0.6 2,-1.8 2,-0.5 -1,-0.2 -0.174 123.6 -96.3 -83.5 41.8 -16.7 -9.8 -0.8 24 24 A Q S S+ 0 0 12 -2,-1.0 -19,-0.3 -3,-0.4 2,-0.2 -0.083 105.9 48.1 71.6 -38.9 -17.5 -12.2 2.1 25 25 A G S S- 0 0 7 -2,-1.8 -2,-0.5 145,-0.4 -3,-0.3 -0.713 93.6 -87.6-125.0 177.2 -13.9 -11.8 3.2 26 26 A E + 0 0 21 -2,-0.2 -6,-0.1 1,-0.1 -5,-0.1 -0.559 57.3 128.4 -86.6 150.1 -11.3 -9.2 3.9 27 27 A Y + 0 0 50 -2,-0.2 279,-0.7 278,-0.1 -1,-0.1 0.252 55.6 79.1-170.1 -24.0 -9.0 -7.8 1.2 28 28 A F - 0 0 2 -9,-0.2 279,-2.7 278,-0.1 280,-0.2 0.073 63.2-141.7 -83.3-164.1 -9.3 -4.0 1.4 29 29 A S > - 0 0 5 278,-0.1 4,-0.9 277,-0.1 3,-0.4 -0.977 23.3-115.5-162.1 152.4 -7.7 -1.6 3.9 30 30 A P T >4 S+ 0 0 47 0, 0.0 3,-0.9 0, 0.0 4,-0.5 0.908 117.7 50.0 -56.9 -44.9 -8.5 1.6 5.8 31 31 A V T >> S+ 0 0 24 1,-0.2 4,-0.8 2,-0.2 3,-0.8 0.770 101.6 64.3 -66.5 -24.8 -5.9 3.6 3.9 32 32 A E H 3> S+ 0 0 0 -3,-0.4 4,-3.2 1,-0.2 5,-0.4 0.807 87.4 70.6 -68.5 -28.5 -7.3 2.3 0.7 33 33 A L H S+ 0 0 9 -3,-0.8 4,-0.8 -4,-0.5 -1,-0.3 0.700 114.7 51.9 -85.0 -20.2 -8.7 7.4 0.8 35 35 A S H X S+ 0 0 0 -4,-0.8 4,-0.5 -3,-0.4 -2,-0.2 0.933 112.0 41.4 -80.9 -50.0 -7.0 6.0 -2.3 36 36 A I H X S+ 0 0 0 -4,-3.2 4,-0.6 1,-0.2 3,-0.5 0.822 114.7 54.4 -67.7 -29.9 -10.1 4.6 -4.1 37 37 A A H X S+ 0 0 2 -4,-0.9 4,-1.0 -5,-0.4 3,-0.5 0.830 104.8 53.4 -71.9 -31.6 -11.9 7.8 -3.2 38 38 A H H X S+ 0 0 21 -4,-0.8 4,-2.9 1,-0.2 -1,-0.2 0.593 91.8 76.2 -79.2 -10.5 -9.2 9.9 -4.7 39 39 A Q H X S+ 0 0 34 -4,-0.5 4,-1.9 -3,-0.5 -1,-0.2 0.907 97.9 44.4 -65.6 -40.5 -9.5 8.0 -8.0 40 40 A L H X S+ 0 0 75 -4,-0.6 4,-3.2 -3,-0.5 5,-0.2 0.907 113.7 50.9 -68.1 -41.0 -12.7 9.9 -8.7 41 41 A D H X S+ 0 0 8 -4,-1.0 4,-3.0 2,-0.2 -2,-0.2 0.901 106.9 55.2 -61.8 -42.1 -10.9 13.1 -7.7 42 42 A E H X S+ 0 0 37 -4,-2.9 4,-1.6 2,-0.2 -1,-0.2 0.929 115.7 36.5 -57.1 -49.5 -8.0 12.3 -10.0 43 43 A E H X S+ 0 0 126 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.916 117.9 50.3 -72.3 -44.0 -10.3 11.9 -13.0 44 44 A E H X S+ 0 0 64 -4,-3.2 4,-3.6 1,-0.2 5,-0.3 0.883 107.7 55.9 -62.2 -38.4 -12.7 14.7 -12.0 45 45 A R H X S+ 0 0 77 -4,-3.0 4,-1.7 -5,-0.2 -1,-0.2 0.956 110.6 41.3 -59.5 -54.4 -9.7 17.1 -11.5 46 46 A M H X S+ 0 0 120 -4,-1.6 4,-1.2 -5,-0.2 -1,-0.2 0.813 117.8 50.8 -64.6 -28.7 -8.2 16.6 -15.0 47 47 A R H X S+ 0 0 135 -4,-1.8 4,-3.0 2,-0.2 3,-0.3 0.944 112.6 42.9 -72.6 -48.9 -11.8 16.8 -16.3 48 48 A M H < S+ 0 0 12 -4,-3.6 -2,-0.2 1,-0.2 -1,-0.2 0.706 107.2 64.4 -70.6 -20.6 -12.7 20.0 -14.5 49 49 A A H < S+ 0 0 70 -4,-1.7 3,-0.5 -5,-0.3 -1,-0.2 0.911 114.5 29.4 -68.3 -42.8 -9.3 21.4 -15.4 50 50 A E H < S+ 0 0 180 -4,-1.2 2,-0.4 -3,-0.3 -2,-0.2 0.895 126.0 45.2 -83.2 -44.0 -10.2 21.4 -19.1 51 51 A G S < S+ 0 0 42 -4,-3.0 2,-0.6 -5,-0.2 -1,-0.2 -0.200 79.2 156.0 -94.5 43.3 -13.9 21.8 -18.7 52 52 A G + 0 0 39 -3,-0.5 -3,-0.1 -2,-0.4 3,-0.1 -0.603 14.5 170.5 -75.4 115.6 -13.6 24.6 -16.2 53 53 A V + 0 0 128 -2,-0.6 2,-0.2 -5,-0.0 -1,-0.2 0.844 67.6 6.7 -90.5 -41.0 -16.7 26.8 -16.2 54 54 A T S S- 0 0 82 1,-0.0 4,-0.5 0, 0.0 3,-0.2 -0.568 82.8 -96.2-127.7-170.2 -16.0 28.8 -13.1 55 55 A S S S+ 0 0 62 -2,-0.2 3,-0.3 1,-0.2 5,-0.1 0.747 116.7 66.8 -83.1 -25.1 -13.2 29.4 -10.6 56 56 A E S >>>S+ 0 0 41 1,-0.2 4,-2.4 2,-0.2 3,-1.5 0.746 86.6 73.0 -66.6 -24.0 -14.7 26.9 -8.2 57 57 A D H 3>5S+ 0 0 9 1,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.964 104.5 34.7 -54.8 -56.3 -14.0 24.1 -10.7 58 58 A Y H 345S+ 0 0 138 -4,-0.5 -1,-0.3 -3,-0.3 -2,-0.2 0.149 126.6 45.8 -87.5 21.2 -10.3 24.1 -10.0 59 59 A R H X>5S+ 0 0 65 -3,-1.5 4,-1.1 3,-0.1 3,-0.5 0.626 120.0 26.4-121.7 -66.7 -10.9 24.9 -6.4 60 60 A T H 3<5S+ 0 0 1 -4,-2.4 -3,-0.2 1,-0.2 169,-0.2 0.795 128.8 45.1 -73.5 -29.8 -13.7 22.8 -4.9 61 61 A F T 3<> - 0 0 43 -3,-0.3 4,-1.4 -2,-0.3 3,-0.7 -0.744 29.5-122.7 -85.6 114.6 -12.8 17.3 -2.8 65 65 A P T 34 S+ 0 0 3 0, 0.0 2,-1.5 0, 0.0 5,-0.2 -0.121 93.8 16.6 -52.6 149.3 -13.4 16.4 0.9 66 66 A S B >4 S+A 69 0A 1 3,-1.2 3,-1.0 1,-0.2 4,-0.3 -0.155 117.2 72.6 76.3 -41.0 -13.6 12.7 1.8 67 67 A G T <4 S+ 0 0 3 -2,-1.5 -1,-0.2 -3,-0.7 3,-0.1 0.859 102.4 40.3 -68.9 -34.7 -12.1 12.0 -1.6 68 68 A N T 3< S- 0 0 14 -4,-1.4 268,-0.3 1,-0.4 -1,-0.3 -0.394 145.3 -53.3-109.3 51.2 -8.8 13.2 -0.3 69 69 A M B < -A 66 0A 86 -3,-1.0 -3,-1.2 -35,-0.2 -1,-0.4 0.538 66.0-108.2 82.3 129.9 -9.2 11.5 3.1 70 70 A D - 0 0 15 -4,-0.3 5,-0.1 -5,-0.2 -36,-0.0 -0.555 11.0-136.6 -88.8 154.9 -12.3 12.0 5.3 71 71 A D S S+ 0 0 80 -2,-0.2 -1,-0.1 3,-0.1 182,-0.0 0.913 104.9 21.9 -74.9 -46.3 -12.4 14.0 8.5 72 72 A S S S- 0 0 36 2,-0.2 -59,-0.1 153,-0.1 -1,-0.1 0.804 115.4-104.1 -91.7 -34.4 -14.5 11.6 10.5 73 73 A G S S+ 0 0 7 1,-0.3 -58,-0.5 -61,-0.1 2,-0.4 0.689 75.3 126.6 114.4 32.7 -13.7 8.5 8.5 74 74 A F - 0 0 1 -61,-0.1 2,-0.4 -60,-0.1 -1,-0.3 -0.972 32.9-172.8-124.6 136.5 -16.8 8.0 6.5 75 75 A F - 0 0 8 -2,-0.4 -9,-0.1 1,-0.1 -41,-0.0 -0.972 11.1-146.8-127.7 142.0 -17.1 7.6 2.7 76 76 A S >> - 0 0 11 -2,-0.4 3,-1.7 1,-0.0 4,-0.7 0.235 61.1 -51.0 -83.5-149.0 -20.3 7.5 0.6 77 77 A I H 3> S+ 0 0 56 1,-0.3 4,-2.6 2,-0.2 5,-0.5 0.657 119.7 88.8 -63.8 -13.6 -20.9 5.5 -2.6 78 78 A Q H 34 S+ 0 0 29 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.800 98.1 32.4 -55.0 -31.7 -17.6 7.2 -3.8 79 79 A V H <> S+ 0 0 0 -3,-1.7 4,-1.9 3,-0.1 -1,-0.2 0.675 116.5 57.4 -99.5 -19.9 -15.7 4.2 -2.3 80 80 A I H X S+ 0 0 5 -4,-0.7 4,-1.9 2,-0.2 5,-0.3 0.966 108.9 42.5 -75.0 -53.1 -18.3 1.6 -2.9 81 81 A S H X S+ 0 0 39 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.842 119.8 46.0 -62.1 -33.4 -18.6 2.0 -6.7 82 82 A N H > S+ 0 0 18 -5,-0.5 4,-2.4 -4,-0.4 -1,-0.2 0.872 106.3 58.2 -78.1 -38.3 -14.9 2.3 -7.0 83 83 A A H X S+ 0 0 0 -4,-1.9 4,-0.6 1,-0.2 -2,-0.2 0.934 114.0 36.9 -57.5 -49.7 -14.1 -0.7 -4.7 84 84 A L H >X>S+ 0 0 2 -4,-1.9 5,-3.3 1,-0.2 4,-1.2 0.855 112.8 61.4 -72.0 -33.0 -16.0 -3.2 -6.8 85 85 A K H 3<5S+ 0 0 100 -4,-1.2 3,-0.4 -5,-0.3 -2,-0.2 0.902 102.1 49.3 -60.7 -44.9 -14.9 -1.4 -10.0 86 86 A V H 3<5S+ 0 0 4 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.695 112.8 49.0 -71.1 -17.9 -11.2 -2.1 -9.3 87 87 A W H <<5S- 0 0 39 -4,-0.6 -1,-0.2 -3,-0.5 -2,-0.2 0.640 123.2-102.6 -94.1 -17.0 -11.9 -5.7 -8.7 88 88 A G T <5S+ 0 0 61 -4,-1.2 2,-0.3 -3,-0.4 80,-0.2 0.667 78.9 126.6 103.7 22.1 -14.0 -6.1 -11.8 89 89 A L < - 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