==== 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 15-DEC-99 1DWZ . COMPND 2 MOLECULE: PRION PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR F.LOPEZ-GARCIA,R.ZAHN,R.RIEK,M.BILLETER,K.WUTHRICH . 104 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7253.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 71 68.3 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 . 3 2.9 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 . 2 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 49 47.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.9 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 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 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 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 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 1 124 A G 0 0 117 0, 0.0 4,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 3.0 13.4 -15.2 0.9 2 125 A L > - 0 0 69 2,-0.1 3,-1.5 1,-0.0 2,-0.2 0.959 360.0 -81.7 35.0 70.3 11.2 -12.4 -0.5 3 126 A G T 3 S- 0 0 75 1,-0.2 2,-0.0 2,-0.0 -1,-0.0 -0.312 81.2 -62.4 50.0-104.0 14.4 -10.7 -1.7 4 127 A G T 3 S+ 0 0 41 -2,-0.2 -1,-0.2 2,-0.0 2,-0.2 -0.456 90.1 147.2-156.4 82.4 15.3 -9.2 1.6 5 128 A Y < - 0 0 75 -3,-1.5 2,-0.4 -4,-0.3 36,-0.2 -0.543 44.5-124.7-105.2 176.3 12.4 -6.8 2.3 6 129 A M E -A 40 0A 102 34,-3.1 34,-3.3 -2,-0.2 2,-0.4 -0.998 19.9-160.8-122.2 125.6 10.5 -5.5 5.4 7 130 A L E -A 39 0A 83 -2,-0.4 32,-0.2 32,-0.2 2,-0.1 -0.912 16.6-135.3-103.7 138.6 6.7 -5.9 5.6 8 131 A G - 0 0 7 30,-1.8 3,-0.1 -2,-0.4 2,-0.1 -0.375 20.8 -95.6 -89.4 169.6 4.8 -3.8 8.1 9 132 A S - 0 0 91 1,-0.2 29,-0.2 -2,-0.1 -1,-0.1 -0.277 66.5 -57.9 -75.3 165.9 2.1 -4.5 10.6 10 133 A A - 0 0 69 27,-0.1 2,-0.2 1,-0.1 27,-0.2 -0.235 61.5-149.7 -57.5 134.0 -1.7 -4.0 9.7 11 134 A M - 0 0 28 25,-2.7 2,-0.5 -3,-0.1 -1,-0.1 -0.651 21.4-103.9-106.7 154.1 -2.5 -0.4 8.8 12 135 A S - 0 0 108 -2,-0.2 -1,-0.0 78,-0.1 24,-0.0 -0.687 39.9-131.6 -68.2 119.6 -5.5 1.9 9.0 13 136 A R - 0 0 46 -2,-0.5 2,-0.1 76,-0.0 74,-0.1 -0.771 24.4-133.4 -79.0 113.8 -6.9 1.9 5.5 14 137 A P - 0 0 39 0, 0.0 2,-1.3 0, 0.0 76,-0.1 -0.447 9.7-124.0 -68.4 141.6 -7.5 5.7 4.7 15 138 A L - 0 0 89 -2,-0.1 2,-0.4 12,-0.0 9,-0.0 -0.791 36.1-168.8 -79.3 91.6 -10.8 6.7 3.2 16 139 A I - 0 0 19 -2,-1.3 2,-0.2 66,-0.1 70,-0.1 -0.739 17.0-127.1 -79.2 136.2 -9.2 8.4 0.2 17 140 A H + 0 0 158 -2,-0.4 -1,-0.0 1,-0.1 3,-0.0 -0.527 35.1 165.3 -83.2 157.4 -11.9 10.4 -1.7 18 141 A F - 0 0 63 -2,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.453 47.5-110.1-130.7 -73.4 -12.5 10.1 -5.5 19 142 A G S S+ 0 0 67 1,-0.5 2,-0.4 0, 0.0 5,-0.0 -0.145 86.1 89.1 163.3 -51.1 -15.8 11.7 -6.5 20 143 A S >> - 0 0 71 1,-0.2 4,-0.8 -3,-0.0 3,-0.8 -0.564 68.5-141.6 -77.4 126.1 -18.3 9.0 -7.5 21 144 A D H 3> S+ 0 0 138 -2,-0.4 4,-1.1 1,-0.3 3,-0.2 0.743 100.3 69.2 -58.0 -26.2 -20.3 7.9 -4.4 22 145 A Y H >> S+ 0 0 186 1,-0.2 4,-2.9 2,-0.2 3,-0.9 0.960 95.9 50.9 -52.1 -57.5 -20.0 4.4 -6.0 23 146 A E H <> S+ 0 0 45 -3,-0.8 4,-1.1 1,-0.3 -1,-0.2 0.724 99.7 65.1 -58.9 -26.2 -16.2 4.3 -5.3 24 147 A D H 3X S+ 0 0 50 -4,-0.8 4,-2.5 -3,-0.2 -1,-0.3 0.906 115.5 28.9 -69.4 -38.3 -16.7 5.2 -1.6 25 148 A R H S+ 0 0 167 -4,-1.1 4,-1.8 -3,-0.9 5,-0.6 0.836 112.2 65.3 -85.2 -32.6 -18.6 2.0 -1.0 26 149 A Y H <5S+ 0 0 89 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.726 114.9 36.1 -59.2 -20.3 -16.6 0.2 -3.7 27 150 A Y H ><5S+ 0 0 2 -4,-1.1 3,-1.3 -5,-0.3 4,-0.3 0.872 122.4 41.1 -84.2 -66.7 -13.9 0.9 -1.2 28 151 A R H ><5S+ 0 0 131 -4,-2.5 3,-1.4 1,-0.3 4,-0.3 0.889 116.6 44.6 -57.4 -55.0 -15.7 0.5 2.2 29 152 A E T 3<5S+ 0 0 155 -4,-1.8 -1,-0.3 1,-0.3 -3,-0.2 0.658 123.8 41.2 -62.1 -12.6 -17.8 -2.6 1.5 30 153 A N T X - 0 0 45 0, 0.0 3,-2.2 0, 0.0 53,-0.1 -0.257 47.5-100.5 -63.6 158.3 13.9 0.6 6.1 43 166 A V T 3 S+ 0 0 18 1,-0.3 52,-0.0 52,-0.1 9,-0.0 0.665 121.5 71.4 -62.0 -16.4 14.5 4.3 5.5 44 167 A D T 3 S+ 0 0 115 3,-0.1 3,-0.4 2,-0.1 2,-0.3 0.852 98.8 47.9 -49.7 -52.5 18.2 3.4 5.4 45 168 A Q S < S+ 0 0 114 -3,-2.2 3,-0.2 1,-0.3 -4,-0.2 -0.837 118.7 18.3-115.1 142.4 17.9 1.6 2.1 46 169 A Y S S- 0 0 117 -2,-0.3 2,-2.5 1,-0.2 -1,-0.3 0.979 86.7-161.0 45.4 59.1 16.2 3.1 -1.0 47 170 A S + 0 0 86 -3,-0.4 2,-0.3 4,-0.1 -1,-0.2 -0.392 49.3 95.9 -71.6 63.2 16.7 6.3 1.0 48 171 A N - 0 0 95 -2,-2.5 -3,-0.0 1,-0.3 0, 0.0 -0.908 67.8-134.1-130.4 170.2 14.0 8.4 -0.9 49 172 A Q S >> S+ 0 0 75 -2,-0.3 4,-2.0 3,-0.1 3,-1.9 0.788 99.6 16.8 -80.2 -92.7 10.4 9.3 -0.2 50 173 A N H 3> S+ 0 0 92 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.799 123.7 57.9 -62.4 -31.3 8.5 8.7 -3.5 51 174 A N H 3> S+ 0 0 99 2,-0.2 4,-0.8 1,-0.2 -1,-0.3 0.778 111.2 43.7 -69.1 -22.6 11.2 6.6 -5.2 52 175 A F H <> S+ 0 0 8 -3,-1.9 4,-2.3 2,-0.2 3,-0.2 0.878 111.8 55.5 -77.8 -41.6 10.9 4.1 -2.3 53 176 A V H X S+ 0 0 2 -4,-2.0 4,-3.2 1,-0.2 -2,-0.2 0.903 102.3 55.2 -57.4 -44.9 7.1 4.4 -2.4 54 177 A H H X S+ 0 0 114 -4,-2.7 4,-3.1 1,-0.2 -1,-0.2 0.887 111.0 44.5 -59.4 -39.9 7.0 3.4 -6.1 55 178 A D H X S+ 0 0 44 -4,-0.8 4,-2.9 -3,-0.2 -1,-0.2 0.865 114.0 50.5 -68.7 -38.0 8.9 0.2 -5.3 56 179 A a H X S+ 0 0 2 -4,-2.3 4,-2.6 2,-0.2 -17,-0.5 0.913 114.1 44.6 -64.5 -44.9 6.7 -0.4 -2.3 57 180 A V H X S+ 0 0 5 -4,-3.2 4,-3.3 2,-0.2 5,-0.3 0.985 115.6 47.6 -57.9 -61.8 3.6 0.2 -4.5 58 181 A N H X S+ 0 0 86 -4,-3.1 4,-2.8 1,-0.2 5,-0.2 0.898 116.9 41.6 -50.7 -54.7 5.1 -2.1 -7.3 59 182 A I H X S+ 0 0 24 -4,-2.9 4,-2.8 2,-0.2 5,-0.3 0.932 120.4 42.1 -60.4 -52.4 6.0 -4.9 -4.9 60 183 A T H X S+ 0 0 1 -4,-2.6 4,-3.0 -21,-0.4 5,-0.2 0.951 117.4 46.2 -62.8 -51.4 2.8 -4.8 -2.8 61 184 A V H X S+ 0 0 21 -4,-3.3 4,-3.1 -5,-0.3 -2,-0.2 0.940 118.3 43.2 -54.4 -52.4 0.5 -4.3 -5.8 62 185 A K H X S+ 0 0 79 -4,-2.8 4,-1.6 -5,-0.3 -1,-0.2 0.820 116.0 46.1 -66.2 -43.1 2.3 -7.2 -7.8 63 186 A E H X S+ 0 0 61 -4,-2.8 4,-2.0 -5,-0.2 -1,-0.2 0.937 117.5 45.0 -63.2 -45.8 2.5 -9.6 -4.8 64 187 A H H X S+ 0 0 38 -4,-3.0 4,-2.8 -5,-0.3 5,-0.3 0.914 111.7 51.1 -68.2 -44.4 -1.1 -8.9 -3.9 65 188 A T H X S+ 0 0 33 -4,-3.1 4,-3.4 -5,-0.2 5,-0.3 0.968 113.0 44.9 -55.4 -60.0 -2.5 -9.2 -7.5 66 189 A V H X S+ 0 0 73 -4,-1.6 4,-2.8 1,-0.2 -2,-0.2 0.908 117.2 44.8 -49.2 -58.7 -0.8 -12.6 -8.2 67 190 A T H < S+ 0 0 69 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.909 118.8 41.0 -52.6 -54.4 -1.8 -14.0 -4.8 68 191 A T H ><>S+ 0 0 18 -4,-2.8 3,-1.2 2,-0.2 5,-0.9 0.879 115.4 50.4 -71.8 -35.9 -5.5 -12.8 -4.9 69 192 A T H ><5S+ 0 0 78 -4,-3.4 3,-2.1 -5,-0.3 -2,-0.2 0.904 106.0 56.9 -64.6 -40.2 -5.9 -13.6 -8.7 70 193 A T T 3<5S+ 0 0 114 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.2 0.426 105.6 53.6 -71.6 1.1 -4.5 -17.1 -7.8 71 194 A K T < 5S- 0 0 170 -3,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.181 128.2 -98.5-117.1 13.6 -7.5 -17.2 -5.3 72 195 A G T < 5S+ 0 0 63 -3,-2.1 2,-0.4 1,-0.3 -3,-0.2 0.916 77.7 134.1 74.4 46.0 -10.0 -16.3 -8.0 73 196 A E < - 0 0 65 -5,-0.9 2,-0.3 -8,-0.2 -1,-0.3 -0.961 38.6-152.9-120.6 144.3 -10.5 -12.6 -7.6 74 197 A N - 0 0 132 -2,-0.4 2,-0.4 -6,-0.0 -9,-0.0 -0.852 3.3-147.8-114.4 151.7 -10.5 -10.1 -10.5 75 198 A F - 0 0 37 -2,-0.3 2,-0.1 4,-0.0 -2,-0.0 -0.985 8.1-143.0-122.5 131.0 -9.5 -6.4 -10.4 76 199 A T > - 0 0 68 -2,-0.4 4,-1.4 1,-0.1 5,-0.1 -0.338 34.9-103.0 -77.9 168.4 -11.1 -3.7 -12.6 77 200 A E H > S+ 0 0 159 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.888 126.5 51.0 -69.8 -35.3 -8.9 -0.9 -13.9 78 201 A T H > S+ 0 0 65 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.829 101.9 61.6 -68.1 -27.3 -10.3 1.5 -11.3 79 202 A D H > S+ 0 0 6 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.897 105.2 48.8 -64.1 -33.9 -9.4 -1.2 -8.7 80 203 A I H X S+ 0 0 52 -4,-1.4 4,-2.8 2,-0.2 -2,-0.2 0.930 113.3 45.7 -64.0 -48.9 -5.8 -0.7 -9.9 81 204 A K H X S+ 0 0 113 -4,-1.8 4,-1.1 1,-0.2 -2,-0.2 0.788 116.9 44.0 -69.0 -30.2 -6.1 3.1 -9.5 82 205 A M H X S+ 0 0 1 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.803 114.9 49.1 -84.8 -32.7 -7.8 2.9 -6.1 83 206 A M H X S+ 0 0 4 -4,-2.2 4,-3.1 -5,-0.3 5,-0.2 0.963 107.8 55.4 -65.2 -49.8 -5.3 0.2 -4.8 84 207 A E H X S+ 0 0 80 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.880 110.6 42.8 -53.9 -47.9 -2.3 2.3 -6.0 85 208 A R H X S+ 0 0 98 -4,-1.1 4,-2.9 2,-0.2 -1,-0.2 0.914 115.8 48.7 -70.1 -40.3 -3.2 5.4 -4.1 86 209 A V H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 5,-0.2 0.923 114.1 46.7 -58.2 -48.2 -4.2 3.5 -0.9 87 210 A V H X S+ 0 0 0 -4,-3.1 4,-2.7 2,-0.2 -2,-0.2 0.930 114.3 46.8 -63.6 -46.0 -0.9 1.5 -1.1 88 211 A E H X S+ 0 0 70 -4,-2.8 4,-3.3 -5,-0.2 5,-0.2 0.939 113.3 49.8 -61.4 -47.6 1.2 4.6 -1.7 89 212 A Q H X S+ 0 0 80 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.923 114.2 43.1 -56.3 -53.0 -0.6 6.5 1.2 90 213 A M H X S+ 0 0 3 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.922 116.5 47.8 -64.3 -41.7 -0.1 3.6 3.7 91 214 A a H X S+ 0 0 0 -4,-2.7 4,-2.1 -5,-0.2 3,-0.3 0.957 109.9 51.9 -66.3 -45.6 3.5 3.1 2.6 92 215 A I H X S+ 0 0 16 -4,-3.3 4,-3.0 1,-0.2 -1,-0.2 0.898 109.1 52.4 -48.8 -48.9 4.3 6.8 2.8 93 216 A T H X S+ 0 0 56 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.886 107.0 51.8 -56.9 -43.5 2.9 6.7 6.3 94 217 A Q H X S+ 0 0 24 -4,-1.8 4,-1.0 -3,-0.3 -2,-0.2 0.868 114.3 42.3 -69.4 -37.3 5.2 3.8 7.3 95 218 A Y H >X S+ 0 0 45 -4,-2.1 4,-2.6 2,-0.2 3,-0.5 0.943 114.1 51.0 -66.7 -52.1 8.3 5.6 6.1 96 219 A Q H 3X S+ 0 0 74 -4,-3.0 4,-2.7 1,-0.3 5,-0.2 0.896 105.0 58.0 -58.2 -40.1 7.3 9.0 7.6 97 220 A R H 3X S+ 0 0 158 -4,-2.6 4,-0.7 -5,-0.2 -1,-0.3 0.883 112.7 40.6 -51.7 -47.9 6.6 7.3 10.9 98 221 A E H XX S+ 0 0 112 -4,-1.0 4,-2.4 -3,-0.5 3,-1.6 0.985 115.2 47.6 -69.0 -59.0 10.3 6.1 11.0 99 222 A S H 3X S+ 0 0 25 -4,-2.6 4,-2.7 1,-0.3 5,-0.2 0.830 110.0 54.9 -55.7 -33.9 12.0 9.3 9.6 100 223 A Q H 3X S+ 0 0 121 -4,-2.7 4,-1.6 -5,-0.3 -1,-0.3 0.757 113.7 41.0 -72.0 -24.3 10.0 11.4 12.1 101 224 A A H << S+ 0 0 66 -3,-1.6 -2,-0.2 -4,-0.7 -1,-0.2 0.687 111.3 56.9 -90.4 -26.2 11.3 9.3 15.0 102 225 A Y H < S+ 0 0 164 -4,-2.4 -2,-0.2 -5,-0.1 -3,-0.2 0.974 124.1 25.1 -60.4 -55.4 14.8 9.2 13.4 103 226 A Y H < 0 0 206 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.997 360.0 360.0 -70.0 -71.0 14.8 13.0 13.5 104 227 A Q < 0 0 200 -4,-1.6 -3,-0.1 -5,-0.2 -4,-0.1 0.966 360.0 360.0 42.5 360.0 12.3 13.9 16.4