==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIPID BINDING PROTEIN 11-OCT-04 1XQ8 . COMPND 2 MOLECULE: ALPHA-SYNUCLEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.S.ULMER,A.BAX,N.B.COLE,R.L.NUSSBAUM . 140 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14666.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 113 80.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.4 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 . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 3 2.1 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 . 11 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 55.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.4 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 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 2 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 204 0, 0.0 2,-0.7 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -34.1 250.6 34.9 0.8 2 2 A D >> - 0 0 105 1,-0.2 4,-1.3 2,-0.1 3,-0.9 -0.416 360.0-148.4 -61.3 105.6 246.9 35.4 1.1 3 3 A V H 3> S+ 0 0 115 -2,-0.7 4,-1.4 1,-0.3 -1,-0.2 0.717 96.5 63.4 -51.2 -14.6 246.1 36.8 -2.3 4 4 A F H 3> S+ 0 0 177 2,-0.2 4,-2.1 1,-0.1 -1,-0.3 0.942 95.0 54.1 -77.6 -47.5 243.4 38.7 -0.4 5 5 A M H <> S+ 0 0 130 -3,-0.9 4,-3.3 1,-0.2 5,-0.4 0.947 108.1 51.7 -51.6 -49.5 245.7 40.7 1.8 6 6 A K H X S+ 0 0 150 -4,-1.3 4,-2.4 1,-0.3 5,-0.3 0.973 108.5 49.0 -53.1 -57.2 247.6 42.0 -1.3 7 7 A G H X S+ 0 0 46 -4,-1.4 4,-1.4 1,-0.2 -1,-0.3 0.854 114.4 49.2 -53.2 -31.2 244.3 43.2 -2.9 8 8 A L H X S+ 0 0 122 -4,-2.1 4,-2.0 -3,-0.2 -2,-0.2 0.962 111.2 45.1 -74.6 -51.5 243.6 44.9 0.4 9 9 A S H X S+ 0 0 83 -4,-3.3 4,-1.0 1,-0.2 -2,-0.2 0.781 111.1 58.2 -63.6 -22.1 246.9 46.6 0.8 10 10 A K H X S+ 0 0 149 -4,-2.4 4,-1.0 -5,-0.4 -1,-0.2 0.909 105.2 47.4 -75.2 -40.1 246.6 47.6 -2.9 11 11 A A H >X S+ 0 0 59 -4,-1.4 4,-2.5 -5,-0.3 3,-1.1 0.949 106.8 56.4 -66.7 -46.2 243.3 49.4 -2.4 12 12 A K H 3X S+ 0 0 147 -4,-2.0 4,-2.1 1,-0.3 5,-0.2 0.866 101.5 59.7 -54.7 -32.5 244.6 51.3 0.7 13 13 A E H 3X S+ 0 0 140 -4,-1.0 4,-1.8 -5,-0.2 -1,-0.3 0.870 108.8 43.2 -65.6 -32.9 247.4 52.6 -1.6 14 14 A G H X S+ 0 0 163 -4,-1.6 4,-2.1 -5,-0.2 3,-0.7 0.981 116.3 45.2 -70.9 -56.0 245.1 64.8 -4.3 22 22 A T H 3X S+ 0 0 96 -4,-3.5 4,-1.7 1,-0.3 -2,-0.2 0.874 113.9 52.6 -56.5 -33.3 241.6 65.5 -3.0 23 23 A K H 3X S+ 0 0 160 -4,-3.6 4,-0.9 -5,-0.3 -1,-0.3 0.828 110.2 47.4 -72.8 -28.8 243.2 67.3 -0.1 24 24 A Q H X S+ 0 0 159 -4,-1.9 4,-1.1 1,-0.2 3,-0.8 0.945 104.8 48.4 -70.7 -45.2 239.7 80.3 -5.3 33 33 A T H 3X S+ 0 0 98 -4,-3.1 4,-1.3 1,-0.2 -1,-0.2 0.795 101.5 68.1 -65.1 -23.4 236.3 80.9 -3.6 34 34 A K H 3X S+ 0 0 160 -4,-1.5 4,-0.6 -5,-0.3 -1,-0.2 0.893 103.1 42.7 -63.7 -37.2 238.0 83.8 -1.7 35 35 A E H << S+ 0 0 100 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.730 101.0 73.8 -81.3 -20.4 238.3 85.7 -5.0 36 36 A G H < S+ 0 0 56 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.980 97.4 44.9 -57.3 -57.0 234.7 84.8 -5.9 37 37 A V H < S+ 0 0 120 -4,-1.3 2,-0.6 2,-0.1 -1,-0.2 0.854 105.5 75.1 -57.1 -30.7 233.1 87.1 -3.4 38 38 A L S < S- 0 0 117 -4,-0.6 -1,-0.0 -5,-0.2 0, 0.0 -0.721 86.5-134.9 -85.9 119.5 235.6 89.8 -4.6 39 39 A Y - 0 0 222 -2,-0.6 2,-0.2 1,-0.1 -2,-0.1 -0.253 14.3-159.2 -67.1 160.9 234.6 91.1 -8.0 40 40 A V > - 0 0 54 3,-0.2 3,-1.2 -4,-0.1 -1,-0.1 -0.698 13.3-163.4-145.8 89.3 237.4 91.5 -10.7 41 41 A G T 3 S+ 0 0 79 1,-0.3 3,-0.2 -2,-0.2 -1,-0.1 0.670 92.5 65.9 -48.6 -9.9 236.7 93.9 -13.5 42 42 A S T 3 S+ 0 0 110 1,-0.2 2,-1.6 -3,-0.0 -1,-0.3 0.932 92.2 56.9 -80.6 -46.9 239.5 92.0 -15.2 43 43 A K S < S+ 0 0 128 -3,-1.2 -1,-0.2 4,-0.1 -3,-0.2 -0.585 77.7 168.4 -85.7 83.7 237.8 88.6 -15.5 44 44 A T >> - 0 0 80 -2,-1.6 4,-2.0 -3,-0.2 3,-0.5 -0.486 50.8-100.8 -91.3 165.8 234.7 89.7 -17.5 45 45 A K H >> S+ 0 0 175 1,-0.3 4,-2.3 2,-0.2 3,-0.7 0.964 125.6 52.1 -50.2 -56.6 232.3 87.3 -19.2 46 46 A E H 3> S+ 0 0 159 1,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.866 107.6 55.1 -50.3 -33.7 233.9 87.8 -22.6 47 47 A G H <> S+ 0 0 38 -3,-0.5 4,-1.4 2,-0.2 -1,-0.3 0.909 106.3 49.9 -68.6 -38.7 237.2 87.0 -20.9 48 48 A V H X S+ 0 0 34 -4,-1.4 4,-2.5 -3,-0.5 3,-0.8 0.995 108.8 41.7 -67.9 -60.8 239.6 81.1 -21.5 52 52 A V H 3X S+ 0 0 96 -4,-2.0 4,-1.1 1,-0.3 -1,-0.2 0.849 112.6 58.7 -56.1 -30.2 237.6 77.9 -22.3 53 53 A A H 3< S+ 0 0 48 -4,-1.4 4,-0.5 -5,-0.4 -1,-0.3 0.886 108.0 44.4 -68.2 -35.3 238.3 78.6 -26.0 54 54 A T H XX S+ 0 0 47 -4,-1.5 3,-1.4 -3,-0.8 4,-1.3 0.914 109.3 54.6 -75.7 -41.4 242.1 78.5 -25.3 55 55 A V H 3X S+ 0 0 88 -4,-2.5 4,-2.0 1,-0.3 -1,-0.2 0.783 99.6 64.5 -63.3 -22.3 241.9 75.4 -23.1 56 56 A A H 3< S+ 0 0 52 -4,-1.1 4,-0.5 -5,-0.3 -1,-0.3 0.791 98.8 53.4 -72.0 -24.2 240.1 73.7 -26.0 57 57 A E H X> S+ 0 0 131 -3,-1.4 4,-0.8 -4,-0.5 3,-0.6 0.908 110.4 44.7 -77.2 -40.5 243.3 74.1 -28.1 58 58 A K H >X S+ 0 0 142 -4,-1.3 4,-1.8 1,-0.2 3,-0.9 0.912 100.7 68.0 -70.2 -39.6 245.6 72.4 -25.5 59 59 A T H 3X S+ 0 0 64 -4,-2.0 4,-2.2 1,-0.3 5,-0.3 0.822 97.1 57.4 -50.0 -27.4 243.0 69.6 -24.9 60 60 A K H <> S+ 0 0 145 -3,-0.6 4,-1.4 -4,-0.5 -1,-0.3 0.910 104.1 48.8 -72.4 -40.0 243.9 68.5 -28.5 61 61 A E H S+ 0 0 130 -4,-1.8 4,-2.8 2,-0.2 5,-0.5 0.971 109.1 45.8 -79.8 -61.1 246.7 66.1 -24.6 63 63 A V H X5S+ 0 0 78 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.859 112.0 57.2 -51.0 -32.4 244.2 63.6 -26.2 64 64 A T H X5S+ 0 0 92 -4,-1.4 4,-0.9 -5,-0.3 -1,-0.2 0.955 110.0 41.3 -66.0 -47.3 246.8 63.2 -29.0 65 65 A N H <5S+ 0 0 132 -4,-1.3 3,-0.5 -3,-0.4 4,-0.4 0.951 124.9 36.7 -66.3 -46.4 249.6 62.2 -26.5 66 66 A V H >X5S+ 0 0 70 -4,-2.8 4,-2.4 1,-0.2 3,-1.9 0.822 100.9 77.6 -75.9 -28.0 247.3 59.9 -24.5 67 67 A G H 3X S+ 0 0 49 -3,-1.9 4,-2.9 -4,-0.4 -2,-0.2 0.933 103.9 49.8 -81.8 -48.4 248.3 55.3 -24.6 70 70 A V H X S+ 0 0 83 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.889 110.2 53.7 -58.6 -35.6 244.7 54.2 -24.5 71 71 A V H X S+ 0 0 93 -4,-1.1 4,-1.6 -5,-0.4 -1,-0.2 0.947 111.1 44.3 -65.5 -45.2 245.3 52.2 -27.7 72 72 A T H X S+ 0 0 92 -4,-1.2 4,-1.6 2,-0.2 -2,-0.2 0.916 113.2 52.6 -66.4 -39.5 248.3 50.4 -26.2 73 73 A G H >X S+ 0 0 35 -4,-2.9 4,-2.0 1,-0.2 3,-0.7 0.980 106.5 50.9 -61.0 -54.4 246.4 49.8 -23.0 74 74 A V H 3X S+ 0 0 99 -4,-2.6 4,-2.4 1,-0.3 -1,-0.2 0.898 105.7 58.6 -51.4 -38.4 243.4 48.2 -24.7 75 75 A T H 3X S+ 0 0 73 -4,-1.6 4,-1.8 -5,-0.2 -1,-0.3 0.924 104.2 50.3 -59.3 -41.2 245.9 45.9 -26.5 76 76 A A H X S+ 0 0 52 -4,-2.4 4,-1.6 -5,-0.3 3,-0.7 0.965 108.9 40.4 -60.7 -50.5 242.9 42.2 -25.4 79 79 A Q H 3X S+ 0 0 125 -4,-1.8 4,-1.0 1,-0.2 -1,-0.2 0.725 112.0 59.6 -71.2 -17.4 245.6 39.6 -24.7 80 80 A K H 3X S+ 0 0 148 -4,-1.0 4,-1.1 -5,-0.2 -1,-0.2 0.741 104.1 50.4 -81.8 -21.4 244.4 39.5 -21.1 81 81 A T H X S+ 0 0 98 -4,-1.6 4,-0.6 1,-0.2 3,-0.5 0.901 108.9 54.2 -52.7 -38.5 241.9 35.5 -24.5 83 83 A E H >X S+ 0 0 133 -4,-1.0 3,-1.8 1,-0.2 4,-0.6 0.945 100.8 57.6 -63.2 -44.5 244.0 34.1 -21.6 84 84 A G H >X S+ 0 0 42 -4,-1.1 4,-1.2 1,-0.3 3,-0.8 0.815 91.8 73.5 -56.7 -25.4 240.9 34.2 -19.2 85 85 A A H > -A 123 0A 80 4,-1.1 4,-1.8 1,-0.1 3,-0.7 -0.836 7.0-155.0 -97.8 126.8 208.6 -27.6 -18.0 120 120 A P T 34 S+ 0 0 134 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.630 84.7 80.1 -74.7 -11.6 208.0 -27.7 -14.2 121 121 A D T 34 S- 0 0 116 1,-0.2 3,-0.0 2,-0.1 -2,-0.0 0.896 130.5 -29.8 -63.8 -36.9 205.8 -30.8 -14.6 122 122 A N T <4>S- 0 0 56 -3,-0.7 2,-4.1 4,-0.0 5,-1.0 0.151 80.3-105.4-170.3 30.7 208.9 -33.0 -14.8 123 123 A E B <5S-A 119 0A 116 -4,-1.8 -4,-1.1 3,-0.1 2,-0.2 -0.128 93.9 -24.5 67.0 -52.5 211.8 -31.0 -16.4 124 124 A A T 5S- 0 0 32 -2,-4.1 3,-0.2 -6,-0.1 -6,-0.0 -0.589 114.6 -26.8-156.6-139.7 211.2 -33.0 -19.6 125 125 A Y T 5S- 0 0 212 1,-0.2 2,-0.2 -2,-0.2 -2,-0.0 0.983 124.6 -30.1 -53.4 -72.3 209.8 -36.3 -20.7 126 126 A E T 5S- 0 0 111 1,-0.7 -1,-0.2 -3,-0.1 6,-0.1 -0.644 98.5 -68.7-151.1 88.8 210.4 -38.2 -17.4 127 127 A M S + 0 0 119 2,-0.1 3,-0.7 1,-0.1 -2,-0.0 0.920 69.0 146.0 -57.7 -42.4 216.9 -40.3 -19.9 130 130 A E T 3 S- 0 0 95 1,-0.2 -1,-0.1 2,-0.1 -3,-0.0 0.079 70.6 -77.0 35.4-149.5 218.3 -43.1 -17.7 131 131 A E T 3 - 0 0 185 -3,-0.0 2,-3.2 3,-0.0 -1,-0.2 -0.205 60.6 -95.6-134.6 44.3 217.0 -46.6 -18.7 132 132 A G < + 0 0 24 -3,-0.7 2,-2.6 -6,-0.1 -2,-0.1 -0.223 55.4 178.0 73.4 -56.2 213.4 -46.6 -17.2 133 133 A Y - 0 0 192 -2,-3.2 2,-0.3 2,-0.1 -1,-0.1 -0.265 67.2 -12.5 56.8 -78.0 214.7 -48.4 -14.1 134 134 A Q S S+ 0 0 151 -2,-2.6 3,-0.1 1,-0.1 -2,-0.1 -0.923 82.0 115.3-155.2 126.4 211.2 -48.4 -12.5 135 135 A D S S+ 0 0 107 1,-0.3 2,-0.4 -2,-0.3 -1,-0.1 0.309 73.5 54.8-163.3 -17.9 208.1 -46.5 -13.5 136 136 A Y - 0 0 119 1,-0.2 -1,-0.3 2,-0.1 0, 0.0 -0.984 62.3-152.3-132.4 124.0 205.5 -49.1 -14.5 137 137 A E S S+ 0 0 183 -2,-0.4 -1,-0.2 -3,-0.1 -2,-0.0 0.987 80.1 62.0 -57.9 -62.9 204.5 -52.1 -12.2 138 138 A P S S- 0 0 77 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 -0.018 108.3 -92.8 -58.8 167.9 203.6 -54.5 -15.1 139 139 A E 0 0 185 1,-0.1 -3,-0.1 0, 0.0 -2,-0.0 0.823 360.0 360.0 -55.9 -27.0 206.2 -55.7 -17.6 140 140 A A 0 0 127 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.977 360.0 360.0-152.8 360.0 205.0 -52.8 -19.8