==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PRION PROTEIN 11-MAY-00 1E1W . COMPND 2 MOLECULE: PRION PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.CALZOLAI,D.A.LYSEK,P.GUNTERT,C.VON SCHROETTER,R.ZAHN, . 104 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7384.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 67 64.4 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 . 5 4.8 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 . 0 0.0 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 . 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 . 3 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 46.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.9 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 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 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 . 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 0 ANTIPARALLEL 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 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 1 125 A L 0 0 115 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 94.6 10.4 -9.4 7.3 2 126 A G - 0 0 95 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.467 360.0 -53.1 -75.1 -3.4 14.1 -9.5 8.2 3 127 A G S S+ 0 0 59 2,-0.0 37,-0.0 0, 0.0 0, 0.0 -0.419 77.2 164.8 169.2 -71.4 13.7 -5.8 9.1 4 128 A Y - 0 0 52 1,-0.1 2,-0.3 34,-0.1 36,-0.2 -0.169 42.5 -99.0 49.9-164.1 12.2 -3.7 6.3 5 129 A M E -A 39 0A 77 34,-2.1 34,-2.2 35,-0.1 2,-0.5 -0.943 14.6-137.2-145.4 134.5 10.9 -0.3 7.4 6 130 A L E -A 38 0A 65 -2,-0.3 32,-0.2 32,-0.2 3,-0.1 -0.818 18.3-161.9 -79.3 126.6 7.4 1.0 8.2 7 131 A G E - 0 0 23 30,-1.8 2,-0.3 -2,-0.5 -1,-0.2 0.943 40.4 -92.7 -70.5 -88.3 7.1 4.4 6.5 8 132 A S E - 0 0 69 29,-0.2 29,-0.7 27,-0.1 2,-0.3 -0.928 45.8 -64.2-166.3 179.9 4.1 5.9 8.3 9 133 A A E -A 36 0A 45 -2,-0.3 27,-0.3 27,-0.2 2,-0.1 -0.647 51.9-145.9 -68.6 133.1 0.3 6.2 7.9 10 134 A M - 0 0 28 25,-2.6 -1,-0.0 -2,-0.3 79,-0.0 -0.262 34.5 -89.3 -82.3-176.9 -0.6 8.2 4.8 11 135 A S - 0 0 123 -2,-0.1 -2,-0.0 1,-0.0 24,-0.0 0.176 66.5 -99.4 -85.0 17.4 -3.6 10.4 4.5 12 136 A R - 0 0 93 23,-0.3 23,-0.1 73,-0.0 24,-0.0 0.998 44.0-145.6 60.8 76.0 -5.9 7.5 3.3 13 137 A P - 0 0 34 0, 0.0 2,-0.3 0, 0.0 72,-0.1 -0.240 10.2-139.5 -63.6 164.8 -5.9 8.1 -0.5 14 138 A I - 0 0 62 70,-0.1 2,-0.4 71,-0.0 9,-0.1 -0.954 6.2-149.9-135.6 145.4 -9.1 7.2 -2.4 15 139 A I - 0 0 19 -2,-0.3 2,-1.1 8,-0.1 11,-0.1 -0.962 8.6-147.8-126.0 129.9 -9.6 5.5 -5.7 16 140 A H - 0 0 130 -2,-0.4 7,-0.1 1,-0.2 4,-0.1 -0.731 18.3-179.2-103.6 78.6 -12.5 6.2 -8.0 17 141 A F - 0 0 43 -2,-1.1 -1,-0.2 2,-0.2 3,-0.1 0.696 57.2 -93.6 -56.1 -25.5 -12.8 2.7 -9.6 18 142 A G S S+ 0 0 68 1,-0.3 2,-0.3 -3,-0.1 -1,-0.1 0.684 96.9 86.0 115.0 29.7 -15.7 3.9 -11.7 19 143 A S > - 0 0 59 1,-0.1 4,-1.0 2,-0.0 -1,-0.3 -0.929 65.6-142.3-148.1 135.2 -18.9 3.1 -9.7 20 144 A D H > S+ 0 0 112 -2,-0.3 4,-2.1 2,-0.2 5,-0.2 0.834 110.5 57.5 -60.0 -32.9 -20.6 5.1 -6.9 21 145 A Y H > S+ 0 0 139 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.960 106.1 45.8 -57.0 -56.2 -21.2 1.6 -5.4 22 146 A E H > S+ 0 0 58 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.650 107.2 61.3 -67.9 -16.0 -17.4 0.9 -5.4 23 147 A D H X S+ 0 0 49 -4,-1.0 4,-2.6 2,-0.2 -2,-0.2 0.964 110.0 38.3 -72.0 -53.5 -16.9 4.4 -3.9 24 148 A R H X S+ 0 0 160 -4,-2.1 4,-2.9 2,-0.2 5,-0.4 0.891 110.8 64.6 -57.6 -41.4 -19.0 3.5 -0.8 25 149 A Y H X S+ 0 0 65 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.927 113.1 30.3 -51.6 -57.3 -17.3 0.0 -1.0 26 150 A Y H X S+ 0 0 4 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.959 116.9 59.4 -65.3 -50.4 -13.8 1.4 -0.3 27 151 A R H < S+ 0 0 144 -4,-2.6 4,-0.2 1,-0.2 -2,-0.2 0.808 112.2 38.8 -50.7 -41.8 -15.1 4.4 1.8 28 152 A E H >< S+ 0 0 155 -4,-2.9 3,-0.9 1,-0.2 4,-0.3 0.928 121.1 43.3 -74.2 -48.7 -16.8 2.1 4.4 29 153 A N H >X S+ 0 0 43 -4,-1.7 4,-2.1 -5,-0.4 3,-0.8 0.612 87.4 92.5 -75.5 -10.9 -14.1 -0.6 4.4 30 154 A M T 3< S+ 0 0 17 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.763 81.1 59.1 -61.5 -23.4 -11.2 1.9 4.5 31 155 A H T <4 S+ 0 0 158 -3,-0.9 -1,-0.3 -4,-0.2 -2,-0.2 0.912 110.2 40.2 -68.0 -44.8 -11.2 1.7 8.4 32 156 A R T <4 S+ 0 0 129 -3,-0.8 -2,-0.2 -4,-0.3 -1,-0.2 0.838 107.4 82.2 -69.7 -34.1 -10.6 -2.1 8.3 33 157 A Y S < S- 0 0 7 -4,-2.1 2,-0.1 -7,-0.2 -7,-0.0 -0.110 93.9 -82.5 -68.1 165.9 -8.0 -1.7 5.4 34 158 A P + 0 0 11 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.350 34.3 178.5 -64.8 151.7 -4.3 -0.7 5.7 35 159 A N + 0 0 37 -23,-0.1 -25,-2.6 -4,-0.1 -23,-0.3 0.387 69.5 56.0-129.8 -5.7 -3.3 3.0 6.0 36 160 A Q E S-A 9 0A 71 -27,-0.3 2,-0.3 -29,-0.1 -27,-0.2 -0.819 70.1-152.3-117.6 163.4 0.5 2.4 6.3 37 161 A V E - 0 0 1 -29,-0.7 -30,-1.8 -2,-0.3 2,-0.4 -0.901 8.6-130.6-138.4 162.6 2.9 0.5 4.0 38 162 A Y E +A 6 0A 78 17,-0.4 2,-0.2 -2,-0.3 21,-0.2 -0.968 31.8 154.5-124.7 126.0 6.2 -1.4 4.3 39 163 A Y E -A 5 0A 4 -34,-2.2 -34,-2.1 -2,-0.4 3,-0.1 -0.799 42.7-107.5-132.9 167.6 9.3 -1.0 2.2 40 164 A R - 0 0 106 -2,-0.2 -35,-0.1 -36,-0.2 4,-0.1 -0.743 49.7 -96.0 -80.7 159.7 13.1 -1.5 2.5 41 165 A P - 0 0 58 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 -0.244 47.8 -93.1 -56.6 164.9 15.1 1.6 2.8 42 166 A M S S+ 0 0 15 1,-0.1 2,-1.6 2,-0.1 9,-0.0 0.464 93.5 117.6 -65.5 -2.5 16.6 2.7 -0.5 43 167 A D S S+ 0 0 121 1,-0.2 -1,-0.1 2,-0.0 2,-0.0 -0.588 85.7 4.3 -78.6 83.5 19.8 0.8 0.3 44 168 A E S S+ 0 0 156 -2,-1.6 2,-0.4 -4,-0.1 -1,-0.2 -0.618 130.8 26.0 154.5 -63.7 19.9 -1.9 -2.4 45 169 A Y + 0 0 38 -4,-0.3 2,-0.3 -2,-0.0 -5,-0.1 -0.986 49.1 169.0-126.8 128.0 17.1 -1.4 -5.0 46 170 A S + 0 0 49 -2,-0.4 2,-0.4 -3,-0.0 3,-0.1 -0.820 23.0 154.5-141.3 90.9 15.5 1.9 -5.7 47 171 A N >> - 0 0 89 -2,-0.3 4,-2.6 1,-0.1 5,-0.7 -0.994 47.2-129.7-134.2 120.1 13.4 1.3 -8.9 48 172 A Q T 45S+ 0 0 188 -2,-0.4 4,-0.2 1,-0.3 -1,-0.1 0.755 106.6 16.6 -43.8 -49.0 10.2 3.3 -9.8 49 173 A N T >5S+ 0 0 133 3,-0.1 4,-3.0 2,-0.1 -1,-0.3 0.766 126.2 53.5 -91.8 -36.1 8.0 0.2 -10.4 50 174 A N H >5S+ 0 0 87 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.916 107.2 48.7 -78.9 -39.7 10.0 -2.5 -8.7 51 175 A F H X5S+ 0 0 4 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.831 117.6 47.9 -61.8 -34.5 10.3 -0.8 -5.3 52 176 A V H >X S+ 0 0 55 -4,-2.9 4,-2.6 2,-0.2 3,-0.9 0.955 113.2 42.1 -51.0 -59.5 -3.4 -11.1 4.5 65 189 A V H 3X S+ 0 0 73 -4,-2.3 4,-1.4 1,-0.3 -2,-0.2 0.880 111.6 55.3 -64.3 -35.9 -1.3 -13.1 7.1 66 190 A T H 3< S+ 0 0 89 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.728 114.1 42.3 -68.7 -20.4 -2.2 -10.7 9.9 67 191 A T H X<>S+ 0 0 5 -4,-1.1 5,-2.6 -3,-0.9 3,-2.2 0.780 101.8 63.0-103.4 -25.7 -5.9 -11.3 9.2 68 192 A T H ><5S+ 0 0 90 -4,-2.6 3,-1.9 1,-0.3 -2,-0.2 0.897 95.9 67.0 -58.4 -30.6 -5.7 -15.1 8.6 69 193 A T T 3<5S+ 0 0 123 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.663 103.6 41.8 -61.6 -17.8 -4.7 -14.8 12.3 70 194 A K T < 5S- 0 0 151 -3,-2.2 -1,-0.3 2,-0.2 -2,-0.2 0.139 126.9-100.2-111.1 14.4 -8.3 -13.6 13.0 71 195 A G T < 5S+ 0 0 73 -3,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.635 78.8 142.5 79.5 15.0 -9.9 -16.2 10.7 72 196 A E < - 0 0 47 -5,-2.6 2,-0.4 -8,-0.1 -1,-0.3 -0.729 31.9-171.0 -97.4 140.3 -10.3 -13.6 7.9 73 197 A N - 0 0 146 -2,-0.3 -9,-0.0 -3,-0.1 -8,-0.0 -0.968 13.2-150.0-133.1 106.3 -9.7 -14.5 4.2 74 198 A F - 0 0 29 -2,-0.4 2,-0.3 -10,-0.1 3,-0.0 -0.196 10.1-134.7 -72.3 172.2 -9.7 -11.6 1.7 75 199 A T > - 0 0 78 1,-0.0 4,-2.3 -2,-0.0 3,-0.3 -0.894 26.9 -99.1-128.3 160.7 -10.8 -11.8 -1.9 76 200 A E H > S+ 0 0 160 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.808 119.9 50.4 -49.2 -47.4 -9.4 -10.5 -5.3 77 201 A T H > S+ 0 0 66 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.950 112.2 47.3 -64.7 -45.2 -11.6 -7.4 -5.5 78 202 A D H > S+ 0 0 18 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.902 114.9 47.4 -56.7 -43.1 -10.7 -6.3 -1.9 79 203 A V H X S+ 0 0 42 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.907 110.9 49.5 -71.1 -39.9 -7.0 -6.9 -2.7 80 204 A K H X S+ 0 0 132 -4,-3.0 4,-1.9 2,-0.2 -1,-0.2 0.876 110.9 51.5 -64.9 -36.6 -7.2 -5.0 -6.1 81 205 A M H X S+ 0 0 5 -4,-2.6 4,-1.2 -5,-0.2 -2,-0.2 0.943 112.9 45.3 -60.4 -48.6 -8.8 -2.2 -4.1 82 206 A M H X S+ 0 0 1 -4,-2.4 4,-3.3 2,-0.2 3,-0.4 0.925 108.3 57.6 -59.2 -47.2 -6.0 -2.3 -1.6 83 207 A E H X S+ 0 0 65 -4,-3.0 4,-3.1 1,-0.3 5,-0.3 0.918 104.2 50.5 -53.8 -53.2 -3.3 -2.5 -4.4 84 208 A R H X S+ 0 0 133 -4,-1.9 4,-1.7 1,-0.2 -1,-0.3 0.852 118.5 40.0 -51.2 -42.9 -4.4 0.8 -6.0 85 209 A V H X S+ 0 0 2 -4,-1.2 4,-2.7 -3,-0.4 -2,-0.2 0.955 115.6 47.4 -72.3 -55.9 -4.2 2.5 -2.6 86 210 A V H X S+ 0 0 0 -4,-3.3 4,-2.8 1,-0.2 5,-0.2 0.855 112.1 53.8 -60.4 -34.3 -1.0 0.8 -1.2 87 211 A E H X S+ 0 0 82 -4,-3.1 4,-2.3 -5,-0.3 -1,-0.2 0.946 109.4 46.3 -62.7 -51.9 0.6 1.6 -4.7 88 212 A Q H X S+ 0 0 95 -4,-1.7 4,-2.0 -5,-0.3 -2,-0.2 0.914 114.3 51.1 -56.7 -40.6 -0.3 5.3 -4.3 89 213 A M H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.926 109.9 45.0 -65.6 -49.4 1.0 5.2 -0.7 90 214 A a H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.921 111.1 55.8 -68.0 -33.1 4.4 3.6 -1.4 91 215 A I H < S+ 0 0 52 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.913 105.0 53.3 -58.6 -44.1 4.8 6.1 -4.3 92 216 A T H >X S+ 0 0 49 -4,-2.0 4,-2.5 2,-0.2 3,-1.5 0.924 109.7 46.8 -56.9 -46.0 4.2 8.9 -1.8 93 217 A Q H 3X>S+ 0 0 14 -4,-1.9 4,-2.3 1,-0.3 5,-0.9 0.928 107.6 57.6 -60.9 -41.3 7.0 7.5 0.4 94 218 A Y H 3<5S+ 0 0 32 -4,-2.6 -1,-0.3 3,-0.2 -2,-0.2 0.359 114.5 40.1 -74.2 6.2 9.2 7.3 -2.7 95 219 A E H <>5S+ 0 0 116 -3,-1.5 4,-3.2 -5,-0.2 5,-0.3 0.645 114.8 45.6-105.3 -66.6 8.6 11.0 -3.1 96 220 A K H <5S+ 0 0 124 -4,-2.5 4,-0.3 1,-0.2 -2,-0.2 0.715 129.2 24.8 -59.2 -30.6 8.9 12.5 0.4 97 221 A E T >X5S+ 0 0 102 -4,-2.3 4,-1.9 -5,-0.2 3,-0.8 0.844 121.7 53.9 -92.8 -46.8 12.0 10.5 1.4 98 222 A S H 3>