==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 22-MAY-09 3HJX . COMPND 2 MOLECULE: MAJOR PRION PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.LEE,L.ANTONY,R.HARTMANN,K.J.KNAUS,K.SUREWICZ,W.K.SUREWICZ, . 95 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6281.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 59 62.1 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 3.2 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 . 5 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 47.4 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+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 1 0 0 0 0 0 0 0 0 1 0 0 1 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 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 1 126 A G 0 0 76 0, 0.0 2,-1.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -12.5 35.3 67.7 47.8 2 127 A G + 0 0 51 37,-0.0 39,-0.5 2,-0.0 2,-0.3 -0.568 360.0 156.3 -87.2 78.0 38.5 65.6 47.0 3 128 A Y - 0 0 109 -2,-1.5 2,-0.3 36,-0.2 36,-0.3 -0.695 24.5-164.1-108.3 153.8 37.6 62.5 49.0 4 129 A V E -A 38 0A 60 34,-3.0 34,-2.2 -2,-0.3 2,-0.6 -0.890 28.1-109.1-126.7 161.4 38.7 58.8 48.8 5 130 A L E -A 37 0A 80 -2,-0.3 32,-0.2 32,-0.2 3,-0.1 -0.829 39.5-139.6 -86.4 125.0 37.4 55.5 50.2 6 131 A G - 0 0 5 30,-3.0 3,-0.1 -2,-0.6 2,-0.0 -0.289 28.4 -83.9 -81.3 169.3 39.9 54.2 52.8 7 132 A S - 0 0 84 1,-0.1 29,-0.3 28,-0.1 -1,-0.1 -0.332 54.1 -89.0 -72.6 154.7 41.0 50.6 53.2 8 133 A A - 0 0 57 27,-0.1 2,-0.3 -3,-0.1 27,-0.2 -0.239 53.5-168.6 -58.5 149.2 38.8 48.2 55.2 9 134 A M - 0 0 20 25,-2.6 2,-0.1 -3,-0.1 77,-0.0 -0.960 31.5 -83.0-143.0 160.5 39.7 48.1 58.9 10 135 A S - 0 0 114 -2,-0.3 24,-0.0 1,-0.1 0, 0.0 -0.435 53.8-116.1 -59.0 132.2 39.1 46.2 62.1 11 136 A R - 0 0 73 -2,-0.1 2,-0.1 1,-0.1 -1,-0.1 -0.555 29.3-129.5 -73.0 131.2 35.7 47.4 63.5 12 137 A P - 0 0 32 0, 0.0 2,-0.6 0, 0.0 74,-0.1 -0.481 19.6-112.2 -77.0 156.6 36.2 49.0 66.8 13 138 A I - 0 0 77 -2,-0.1 2,-0.3 69,-0.0 13,-0.0 -0.809 30.9-155.3 -87.0 123.6 34.1 48.0 69.8 14 139 A I - 0 0 5 -2,-0.6 2,-0.4 8,-0.1 12,-0.1 -0.760 9.6-139.3 -99.2 141.2 31.8 50.8 70.9 15 140 A H - 0 0 125 -2,-0.3 2,-0.3 10,-0.1 3,-0.1 -0.858 15.7-170.8-112.0 143.6 30.5 50.9 74.5 16 141 A F - 0 0 19 -2,-0.4 6,-0.1 2,-0.2 7,-0.0 -0.911 28.1-138.4-128.1 149.1 27.1 51.7 75.9 17 142 A G S S+ 0 0 81 -2,-0.3 2,-0.3 5,-0.0 -1,-0.1 0.872 89.2 80.5 -70.4 -38.2 25.7 52.3 79.4 18 143 A S S > S- 0 0 54 1,-0.2 4,-2.5 -3,-0.1 5,-0.2 -0.573 77.3-144.6 -71.4 127.0 22.6 50.3 78.6 19 144 A D H > S+ 0 0 141 -2,-0.3 4,-2.1 1,-0.2 5,-0.3 0.873 98.3 55.2 -61.7 -38.8 23.4 46.6 78.9 20 145 A Y H > S+ 0 0 155 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.948 111.9 39.9 -60.3 -53.8 21.0 45.8 76.0 21 146 A E H > S+ 0 0 42 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.912 111.4 57.7 -63.3 -42.2 22.7 48.2 73.5 22 147 A D H X S+ 0 0 34 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.930 115.8 36.4 -55.5 -45.9 26.2 47.3 74.7 23 148 A R H X S+ 0 0 152 -4,-2.1 4,-2.5 -5,-0.2 5,-0.2 0.881 112.6 58.8 -75.0 -38.9 25.6 43.6 73.9 24 149 A Y H X S+ 0 0 32 -4,-2.8 4,-2.1 -5,-0.3 -2,-0.2 0.936 105.5 50.6 -55.2 -45.0 23.5 44.4 70.8 25 150 A Y H X S+ 0 0 0 -4,-3.1 4,-1.3 1,-0.2 3,-0.3 0.967 110.4 48.9 -58.9 -51.2 26.5 46.3 69.3 26 151 A R H < S+ 0 0 120 -4,-1.5 3,-0.3 -5,-0.2 -1,-0.2 0.886 115.4 43.5 -55.4 -39.1 28.8 43.3 69.9 27 152 A E H < S+ 0 0 103 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.791 124.7 33.8 -82.4 -20.7 26.4 40.9 68.4 28 153 A N H >< S+ 0 0 33 -4,-2.1 3,-2.0 -3,-0.3 -2,-0.2 0.293 79.0 107.6-114.5 9.6 25.5 43.1 65.4 29 154 A M G >< S+ 0 0 33 -4,-1.3 3,-1.8 1,-0.3 -1,-0.1 0.751 70.7 70.0 -66.0 -23.9 28.7 45.0 64.5 30 155 A H G 3 S+ 0 0 123 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.708 87.8 68.0 -63.6 -19.2 29.2 42.9 61.4 31 156 A R G < S+ 0 0 81 -3,-2.0 -1,-0.3 2,-0.0 -2,-0.2 0.605 92.1 75.7 -77.2 -5.1 26.2 44.7 59.9 32 157 A Y S < S- 0 0 5 -3,-1.8 -21,-0.1 1,-0.2 47,-0.0 -0.581 91.2 -83.0-107.7 167.4 28.0 48.0 59.8 33 158 A P - 0 0 16 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.184 24.6-163.2 -61.0 154.2 30.7 49.5 57.5 34 159 A N S S+ 0 0 47 -23,-0.1 -25,-2.6 -4,-0.0 2,-0.3 0.052 71.3 50.0-127.3 24.2 34.3 48.8 58.0 35 160 A Q - 0 0 63 -27,-0.2 2,-0.3 23,-0.0 -27,-0.1 -0.982 67.4-148.9-148.6 164.4 35.8 51.6 55.9 36 161 A V - 0 0 0 -29,-0.3 -30,-3.0 -2,-0.3 2,-0.4 -0.906 14.1-122.7-133.4 158.6 35.2 55.3 55.7 37 162 A Y E +A 5 0A 38 17,-0.4 21,-0.4 -2,-0.3 2,-0.3 -0.841 42.5 150.2 -97.4 133.6 35.4 58.1 53.1 38 163 A Y E -A 4 0A 24 -34,-2.2 -34,-3.0 -2,-0.4 3,-0.1 -0.884 46.1 -98.4-148.4-178.3 37.6 61.1 53.8 39 164 A R > - 0 0 74 -36,-0.3 3,-0.5 -2,-0.3 -36,-0.2 -0.943 14.1-158.7-109.4 116.4 39.7 63.8 52.2 40 165 A P T 3 S+ 0 0 51 0, 0.0 -1,-0.2 0, 0.0 -37,-0.1 0.930 99.0 59.6 -56.1 -40.1 43.4 63.2 52.0 41 166 A M T 3 S+ 0 0 167 -39,-0.5 2,-9.3 1,-0.3 -38,-0.1 0.803 74.7 88.6 -57.1 -36.2 43.7 67.0 51.7 42 167 A D S X S+ 0 0 8 -3,-0.5 3,-0.7 8,-0.1 2,-0.3 -0.048 76.3 141.8 -55.2 48.7 42.0 67.3 55.1 43 168 A E T 3 + 0 0 54 -2,-9.3 3,-0.1 1,-0.3 -2,-0.0 -0.907 64.3 2.8-124.9 157.9 45.8 67.0 55.9 44 169 A Y T 3 S+ 0 0 180 -2,-0.3 -1,-0.3 1,-0.3 2,-0.3 0.893 104.5 129.7 -2.2 73.9 47.5 68.8 58.4 45 170 A S S < S- 0 0 22 -3,-0.7 -1,-0.3 1,-0.1 -3,-0.0 -0.800 72.4 -89.8-105.3 160.9 44.0 69.9 58.9 46 171 A N > - 0 0 83 -2,-0.3 4,-2.0 -3,-0.1 5,-0.2 -0.273 34.8-110.6 -70.7 159.7 43.0 69.5 62.5 47 172 A Q H > S+ 0 0 70 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.864 113.6 54.0 -58.9 -40.7 41.4 66.3 63.7 48 173 A N H > S+ 0 0 125 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.888 108.2 49.1 -69.3 -32.1 38.0 67.7 64.3 49 174 A N H > S+ 0 0 62 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.954 113.5 46.6 -67.0 -46.5 37.7 69.1 60.8 50 175 A F H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.932 117.1 42.7 -59.3 -49.6 38.8 65.8 59.2 51 176 A V H X S+ 0 0 5 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.942 110.3 56.7 -68.3 -46.0 36.5 63.7 61.4 52 177 A H H X S+ 0 0 120 -4,-2.9 4,-1.9 -5,-0.3 -2,-0.2 0.944 115.2 38.5 -43.0 -59.3 33.6 66.2 60.9 53 178 A N H X S+ 0 0 23 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.907 114.4 53.7 -60.2 -47.9 33.9 65.8 57.1 54 179 A a H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -17,-0.4 0.892 110.6 46.9 -55.9 -42.1 34.6 62.0 57.2 55 180 A V H X S+ 0 0 22 -4,-2.8 4,-2.3 2,-0.2 5,-0.3 0.930 114.5 46.7 -68.4 -45.4 31.5 61.3 59.3 56 181 A N H X S+ 0 0 70 -4,-1.9 4,-2.3 -5,-0.3 -2,-0.2 0.949 117.5 40.3 -62.2 -51.4 29.2 63.4 57.1 57 182 A I H X S+ 0 0 36 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.886 115.2 53.1 -67.5 -40.8 30.4 62.1 53.7 58 183 A T H X S+ 0 0 0 -4,-2.2 4,-1.7 -21,-0.4 -1,-0.2 0.922 111.7 43.3 -62.2 -46.2 30.6 58.5 55.0 59 184 A I H X S+ 0 0 36 -4,-2.3 4,-1.5 -5,-0.2 -1,-0.2 0.918 113.0 53.8 -68.0 -41.4 27.1 58.4 56.3 60 185 A K H X S+ 0 0 138 -4,-2.3 4,-2.0 -5,-0.3 -2,-0.2 0.899 106.4 52.7 -53.6 -44.7 25.8 60.2 53.1 61 186 A Q H X S+ 0 0 49 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.886 107.4 51.1 -60.7 -40.9 27.5 57.6 51.0 62 187 A H H X S+ 0 0 49 -4,-1.7 4,-1.1 2,-0.2 -1,-0.2 0.786 107.2 54.8 -70.5 -26.8 25.8 54.7 52.8 63 188 A T H < S+ 0 0 98 -4,-1.5 3,-0.2 -3,-0.2 -2,-0.2 0.993 116.1 35.4 -66.1 -63.8 22.4 56.4 52.4 64 189 A V H < S+ 0 0 111 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.1 0.976 116.2 52.9 -48.9 -66.4 22.6 56.6 48.6 65 190 A T H < S+ 0 0 92 -4,-2.5 2,-2.3 1,-0.2 -1,-0.2 0.801 92.1 79.5 -47.8 -34.8 24.5 53.4 48.0 66 191 A T < 0 0 95 -4,-1.1 -1,-0.2 -5,-0.3 -4,-0.0 -0.509 360.0 360.0 -75.5 77.0 21.8 51.5 50.0 67 192 A T 0 0 180 -2,-2.3 -1,-0.1 0, 0.0 -2,-0.0 0.602 360.0 360.0 -60.1 360.0 19.3 51.5 47.1 68 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 69 196 A E 0 0 219 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 40.9 14.2 45.0 56.7 70 197 A N + 0 0 121 5,-0.0 5,-0.1 2,-0.0 -39,-0.0 -0.241 360.0 27.8 52.1-136.8 17.7 46.3 57.5 71 198 A F - 0 0 76 1,-0.1 2,-0.2 4,-0.1 0, 0.0 -0.096 50.1-171.8 -80.2 142.7 18.3 49.1 59.9 72 199 A T > - 0 0 75 1,-0.0 4,-2.3 0, 0.0 3,-0.4 -0.584 51.2 -85.8-105.4 176.3 16.4 50.5 62.9 73 200 A E H > S+ 0 0 175 1,-0.2 4,-1.6 -2,-0.2 5,-0.2 0.831 130.3 54.0 -46.9 -38.1 16.9 53.7 65.0 74 201 A T H > S+ 0 0 33 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.893 108.4 47.6 -67.2 -43.4 19.4 51.6 67.1 75 202 A D H > S+ 0 0 1 -3,-0.4 4,-2.8 2,-0.2 -2,-0.2 0.843 107.6 56.8 -67.1 -37.6 21.4 50.6 64.0 76 203 A V H X S+ 0 0 76 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.943 110.6 41.6 -62.7 -47.0 21.6 54.1 62.6 77 204 A K H X S+ 0 0 71 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.838 114.7 51.0 -73.2 -31.2 23.1 55.6 65.7 78 205 A M H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.908 108.8 52.0 -68.8 -43.9 25.5 52.6 66.2 79 206 A M H X S+ 0 0 20 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.905 107.5 53.2 -53.9 -43.3 26.6 52.9 62.6 80 207 A E H X S+ 0 0 100 -4,-1.9 4,-2.7 -5,-0.2 -1,-0.2 0.912 110.0 48.1 -61.3 -39.8 27.3 56.6 63.2 81 208 A R H X S+ 0 0 95 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.905 111.8 46.8 -70.7 -42.7 29.5 55.8 66.2 82 209 A V H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.918 112.1 52.8 -64.9 -38.2 31.6 53.2 64.6 83 210 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.948 108.3 50.4 -61.1 -48.8 32.0 55.5 61.6 84 211 A E H X S+ 0 0 94 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.942 111.1 48.0 -54.5 -51.8 33.2 58.3 63.8 85 212 A Q H X S+ 0 0 75 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.888 112.4 48.6 -55.7 -42.7 35.8 56.0 65.5 86 213 A M H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 -1,-0.2 0.859 108.4 54.4 -66.6 -35.8 37.0 54.7 62.2 87 214 A a H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.909 109.1 48.5 -62.3 -38.1 37.3 58.3 60.9 88 215 A I H X S+ 0 0 33 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.935 112.6 47.5 -67.6 -43.1 39.5 59.1 64.0 89 216 A T H X S+ 0 0 52 -4,-2.3 4,-2.4 1,-0.2 3,-0.2 0.938 111.0 52.6 -59.5 -45.8 41.6 56.0 63.3 90 217 A Q H X S+ 0 0 6 -4,-3.1 4,-1.4 1,-0.2 -1,-0.2 0.881 106.5 52.8 -61.4 -36.6 41.8 57.1 59.7 91 218 A Y H X S+ 0 0 15 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.854 107.4 51.5 -66.7 -34.6 43.0 60.5 60.7 92 219 A E H < S+ 0 0 119 -4,-1.9 -2,-0.2 -3,-0.2 -1,-0.2 0.922 105.8 55.5 -66.8 -42.0 45.8 58.9 62.8 93 220 A R H < S+ 0 0 113 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.877 113.0 43.8 -51.6 -38.8 46.8 56.9 59.7 94 221 A E H < S+ 0 0 52 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.926 83.1 102.4 -78.4 -47.2 47.1 60.2 57.9 95 222 A S < 0 0 54 -4,-2.9 -52,-0.0 1,-0.3 -4,-0.0 -0.162 360.0 360.0 -43.5 109.9 48.9 62.3 60.6 96 223 A Q 0 0 222 0, 0.0 -1,-0.3 0, 0.0 -3,-0.1 -0.086 360.0 360.0 51.6 360.0 52.4 62.2 59.1