==== 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 UNKNOWN FUNCTION 17-NOV-04 1Y16 . COMPND 2 MOLECULE: MAJOR PRION PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR A.D.GOSSERT,S.BONJOUR,D.A.LYSEK,F.FIORITO,K.WUTHRICH . 112 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7325.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 73 65.2 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 2.7 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 . 3 2.7 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 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 41.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 4.5 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 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 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 1 121 A V 0 0 197 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 69.0 3.2 -18.6 6.9 2 122 A V - 0 0 70 3,-0.1 2,-0.4 1,-0.0 3,-0.2 -0.421 360.0-157.7 -61.5 147.0 2.9 -16.2 4.1 3 123 A G S S+ 0 0 62 1,-0.1 3,-0.1 -2,-0.1 -1,-0.0 -0.891 78.6 33.1-129.3 93.5 3.3 -17.7 0.6 4 124 A G S S+ 0 0 51 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.547 88.6 99.9 138.7 19.1 4.3 -15.0 -1.9 5 125 A L - 0 0 26 -3,-0.2 2,-2.3 60,-0.0 -3,-0.1 -0.817 50.0-161.9-143.3 91.5 6.5 -12.6 0.1 6 126 A G S S- 0 0 64 -2,-0.3 -3,-0.0 1,-0.2 0, 0.0 -0.439 79.5 -56.2 -69.9 63.9 10.3 -12.8 -0.2 7 127 A G S S+ 0 0 59 -2,-2.3 2,-0.2 1,-0.2 -1,-0.2 0.802 77.5 178.8 66.6 32.5 10.9 -10.8 3.0 8 128 A Y - 0 0 38 36,-0.1 36,-0.3 34,-0.1 -1,-0.2 -0.520 19.5-141.7 -59.6 125.3 8.9 -7.7 2.1 9 129 A M E -A 43 0A 78 34,-2.2 34,-2.0 -2,-0.2 2,-0.4 -0.363 7.2-123.2 -79.3 170.2 9.0 -5.2 5.0 10 130 A L E -A 42 0A 69 32,-0.2 32,-0.2 -2,-0.1 -1,-0.0 -0.959 28.8-114.3-114.3 139.7 6.1 -3.0 6.2 11 131 A G - 0 0 6 30,-2.8 3,-0.1 -2,-0.4 86,-0.0 -0.208 27.0-108.3 -69.7 165.9 6.6 0.8 6.4 12 132 A S S S- 0 0 121 1,-0.2 2,-0.2 28,-0.1 -1,-0.1 0.891 70.8 -71.5 -62.4 -48.3 6.6 2.7 9.7 13 133 A A - 0 0 61 28,-0.0 -1,-0.2 2,-0.0 27,-0.2 -0.680 49.3-171.0 154.9 152.7 3.1 4.4 9.4 14 134 A M - 0 0 39 25,-1.9 2,-0.2 -2,-0.2 25,-0.1 -0.501 26.3 -94.9-142.2-159.5 1.7 7.3 7.3 15 135 A S - 0 0 95 -2,-0.2 -2,-0.0 78,-0.0 -1,-0.0 -0.742 38.8 -94.5-124.6 172.7 -1.4 9.4 7.1 16 136 A R - 0 0 157 -2,-0.2 23,-0.1 23,-0.0 2,-0.0 -0.856 39.4-156.0 -97.5 105.2 -4.6 9.1 5.0 17 137 A P - 0 0 35 0, 0.0 2,-0.3 0, 0.0 76,-0.0 -0.345 22.0-113.1 -58.4 160.9 -4.4 11.3 1.8 18 138 A M - 0 0 77 -2,-0.0 2,-0.5 2,-0.0 9,-0.1 -0.746 29.5-148.5 -79.9 145.4 -7.6 12.5 0.1 19 139 A I - 0 0 6 -2,-0.3 2,-2.0 8,-0.1 3,-0.2 -0.963 4.0-149.3-125.1 110.6 -7.8 10.8 -3.3 20 140 A H + 0 0 147 -2,-0.5 4,-0.1 1,-0.2 -2,-0.0 -0.592 23.2 175.2 -83.6 77.9 -9.5 12.9 -5.9 21 141 A F - 0 0 37 -2,-2.0 -1,-0.2 2,-0.2 3,-0.1 0.788 40.1-125.9 -58.7 -32.5 -11.0 10.0 -7.8 22 142 A G S S+ 0 0 76 1,-0.5 2,-0.3 -3,-0.2 -1,-0.1 -0.161 82.7 98.5 102.7 -30.5 -12.9 12.3 -10.2 23 143 A N S > S- 0 0 80 1,-0.1 4,-1.2 2,-0.0 -1,-0.5 -0.658 77.9-132.0 -74.7 147.5 -16.3 10.7 -9.5 24 144 A D H > S+ 0 0 139 -2,-0.3 4,-1.3 1,-0.2 -1,-0.1 0.801 107.0 42.2 -67.8 -27.9 -18.3 12.7 -6.9 25 145 A W H > S+ 0 0 81 2,-0.2 4,-2.9 3,-0.2 5,-0.3 0.774 101.0 65.0 -91.7 -30.2 -19.1 9.5 -5.1 26 146 A E H > S+ 0 0 33 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.895 111.0 42.5 -62.6 -31.0 -15.7 7.8 -5.2 27 147 A D H X S+ 0 0 29 -4,-1.2 4,-2.9 2,-0.2 5,-0.2 0.950 117.4 43.6 -71.8 -52.5 -14.5 10.8 -3.1 28 148 A R H X S+ 0 0 121 -4,-1.3 4,-1.0 2,-0.2 -2,-0.2 0.778 116.3 49.1 -68.0 -31.0 -17.6 10.8 -0.8 29 149 A Y H >X S+ 0 0 57 -4,-2.9 4,-2.5 2,-0.2 3,-0.7 0.976 113.4 46.3 -66.5 -58.4 -17.4 7.0 -0.5 30 150 A Y H 3X S+ 0 0 4 -4,-2.1 4,-1.7 -5,-0.3 -2,-0.2 0.884 109.2 52.1 -54.9 -53.0 -13.7 7.0 0.3 31 151 A R H 3< S+ 0 0 131 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.804 115.4 44.0 -58.9 -32.3 -13.8 9.8 2.9 32 152 A E H X< S+ 0 0 134 -4,-1.0 3,-0.5 -3,-0.7 -2,-0.2 0.970 123.7 31.4 -70.3 -60.4 -16.6 8.0 4.8 33 153 A N H >< S+ 0 0 17 -4,-2.5 3,-1.9 1,-0.2 4,-0.4 0.374 82.8 109.5 -90.5 5.5 -15.2 4.4 4.7 34 154 A M G >< + 0 0 37 -4,-1.7 3,-1.0 1,-0.3 -1,-0.2 0.743 60.5 80.9 -55.6 -26.3 -11.4 5.2 4.8 35 155 A Y G < S+ 0 0 184 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.586 87.2 58.8 -57.3 -15.1 -11.2 3.8 8.3 36 156 A R G < S+ 0 0 105 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.882 89.2 83.0 -79.1 -45.2 -11.1 0.2 6.8 37 157 A Y S < S- 0 0 19 -3,-1.0 2,-0.0 -4,-0.4 45,-0.0 -0.283 88.4 -99.6 -71.3 148.5 -7.9 0.7 4.7 38 158 A P - 0 0 41 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.307 16.4-148.2 -61.6 148.6 -4.4 0.3 6.0 39 159 A N S S+ 0 0 52 -25,-0.1 -25,-1.9 -4,-0.1 2,-0.3 -0.211 81.8 54.0-106.6 29.6 -2.5 3.5 6.8 40 160 A Q S S- 0 0 64 -27,-0.2 2,-0.3 -26,-0.0 54,-0.1 -0.897 70.6-142.2-158.4 165.2 0.8 1.7 5.8 41 161 A V - 0 0 0 -2,-0.3 -30,-2.8 52,-0.1 2,-0.4 -0.973 13.4-127.9-143.6 156.6 2.2 -0.2 2.8 42 162 A Y E +A 10 0A 49 17,-0.4 21,-0.4 -2,-0.3 2,-0.3 -0.868 37.8 155.3-106.3 143.6 4.5 -3.3 2.4 43 163 A Y E -A 9 0A 21 -34,-2.0 -34,-2.2 -2,-0.4 13,-0.1 -0.913 36.7-119.4-155.5 168.2 7.7 -3.1 0.1 44 164 A R - 0 0 51 -2,-0.3 2,-0.3 -36,-0.3 -36,-0.1 -0.634 61.5 -64.3-108.6 171.6 11.1 -4.5 -0.6 45 165 A P > - 0 0 34 0, 0.0 3,-2.6 0, 0.0 4,-0.2 -0.473 41.0-141.5 -64.1 121.4 14.4 -2.5 -0.5 46 166 A V G > S+ 0 0 23 -2,-0.3 3,-1.7 1,-0.3 4,-0.4 0.832 99.5 70.3 -47.4 -35.5 14.1 0.1 -3.3 47 167 A D G 3 S+ 0 0 79 1,-0.3 -1,-0.3 2,-0.2 3,-0.2 0.630 89.2 62.5 -57.8 -15.9 17.8 -0.6 -3.9 48 168 A Q G < S+ 0 0 106 -3,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.464 99.5 51.8 -91.4 -4.1 17.0 -4.0 -5.3 49 169 A Y S < S- 0 0 20 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.2 0.544 81.1-142.4-117.3 -14.4 14.9 -2.8 -8.3 50 170 A N S S+ 0 0 161 -4,-0.4 2,-0.3 -3,-0.2 -3,-0.1 0.259 82.0 51.1 63.6 -11.9 17.0 -0.2 -10.4 51 171 A N S > S- 0 0 74 -5,-0.2 4,-1.0 1,-0.1 5,-0.1 -0.977 76.0-131.5-157.8 141.8 13.7 1.8 -11.0 52 172 A Q H > S+ 0 0 57 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.815 97.1 61.2 -61.3 -39.8 10.8 3.2 -9.0 53 173 A N H > S+ 0 0 119 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.956 104.0 41.6 -63.9 -62.8 8.0 1.9 -11.2 54 174 A T H > S+ 0 0 75 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.850 119.7 49.1 -48.3 -43.8 8.4 -1.9 -11.1 55 175 A F H X S+ 0 0 1 -4,-1.0 4,-1.8 2,-0.2 -2,-0.2 0.932 110.7 46.2 -64.9 -55.6 9.1 -1.5 -7.3 56 176 A V H X S+ 0 0 5 -4,-3.1 4,-2.2 2,-0.2 -2,-0.2 0.878 113.5 51.6 -62.7 -36.7 6.1 0.7 -6.5 57 177 A H H X S+ 0 0 115 -4,-3.0 4,-2.8 -5,-0.3 -2,-0.2 0.965 107.3 51.7 -59.7 -50.8 3.9 -1.6 -8.5 58 178 A D H X S+ 0 0 42 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.827 108.8 53.2 -55.9 -32.1 5.3 -4.6 -6.5 59 179 A a H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -17,-0.4 0.902 109.0 47.3 -70.5 -41.6 4.3 -2.5 -3.4 60 180 A V H X S+ 0 0 16 -4,-2.2 4,-2.2 2,-0.2 5,-0.3 0.983 117.1 44.2 -55.4 -57.8 0.7 -2.1 -4.7 61 181 A N H X S+ 0 0 88 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.932 116.9 43.6 -55.8 -55.8 0.6 -5.8 -5.5 62 182 A I H X S+ 0 0 6 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.832 112.1 52.2 -62.7 -42.3 2.2 -7.0 -2.2 63 183 A T H X S+ 0 0 0 -4,-2.2 4,-1.5 -21,-0.4 -1,-0.2 0.988 116.0 40.2 -59.0 -55.4 0.2 -4.7 0.1 64 184 A I H X S+ 0 0 25 -4,-2.2 4,-3.0 -5,-0.3 5,-0.3 0.881 113.9 55.7 -62.2 -37.4 -3.1 -5.8 -1.4 65 185 A K H X S+ 0 0 51 -4,-2.9 4,-1.1 -5,-0.3 -1,-0.2 0.916 105.7 51.2 -60.7 -47.0 -1.8 -9.5 -1.5 66 186 A Q H X>S+ 0 0 18 -4,-2.8 4,-2.7 2,-0.2 5,-0.6 0.814 115.0 43.9 -58.9 -32.2 -1.0 -9.3 2.3 67 187 A H H <>S+ 0 0 11 -4,-1.5 5,-1.6 -3,-0.3 4,-0.5 0.955 108.0 53.0 -81.2 -51.8 -4.6 -8.1 2.9 68 188 A T H <5S+ 0 0 80 -4,-3.0 -2,-0.2 3,-0.2 -1,-0.2 0.709 124.1 35.8 -58.9 -15.6 -6.5 -10.5 0.6 69 189 A V H <5S+ 0 0 59 -4,-1.1 -2,-0.2 -5,-0.3 -3,-0.2 0.864 132.0 20.4 -88.8 -76.1 -4.5 -13.1 2.7 70 190 A T T <5S+ 0 0 95 -4,-2.7 4,-0.2 1,-0.2 -3,-0.2 0.941 130.9 39.0 -69.6 -54.4 -4.2 -11.9 6.3 71 191 A T T XS+ 0 0 47 -5,-0.6 5,-2.4 -4,-0.5 -1,-0.2 0.735 121.1 46.5 -66.5 -25.3 -7.0 -9.3 6.6 72 192 A T T - 0 0 65 -2,-0.9 4,-2.9 1,-0.1 3,-0.3 -0.274 34.0 -94.1 -63.6 168.2 -15.3 -5.8 -2.5 80 200 A E H > S+ 0 0 156 1,-0.3 4,-1.7 2,-0.2 5,-0.1 0.841 130.4 54.4 -54.3 -36.6 -14.5 -5.0 -6.2 81 201 A T H > S+ 0 0 41 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.923 110.4 44.7 -62.9 -45.3 -15.2 -1.4 -5.4 82 202 A D H > S+ 0 0 0 -3,-0.3 4,-3.1 2,-0.2 3,-0.3 0.928 106.1 62.1 -63.4 -45.5 -12.7 -1.4 -2.5 83 203 A V H X S+ 0 0 48 -4,-2.9 4,-2.0 1,-0.3 -2,-0.2 0.890 105.4 46.0 -47.7 -48.0 -10.2 -3.3 -4.8 84 204 A K H X S+ 0 0 107 -4,-1.7 4,-1.5 1,-0.2 -1,-0.3 0.872 115.0 46.6 -65.0 -38.7 -10.1 -0.3 -7.1 85 205 A M H X S+ 0 0 2 -4,-1.4 4,-3.1 -3,-0.3 -2,-0.2 0.873 108.5 55.9 -73.7 -35.5 -9.7 2.2 -4.2 86 206 A M H X S+ 0 0 1 -4,-3.1 4,-3.3 2,-0.2 5,-0.3 0.942 106.9 49.7 -57.4 -51.4 -7.0 0.1 -2.6 87 207 A E H X S+ 0 0 94 -4,-2.0 4,-2.0 -5,-0.2 5,-0.3 0.888 114.2 46.8 -59.0 -39.8 -4.9 0.3 -5.8 88 208 A R H X S+ 0 0 115 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.972 117.8 39.6 -60.7 -60.3 -5.5 4.1 -5.8 89 209 A V H X S+ 0 0 5 -4,-3.1 4,-1.0 1,-0.2 -2,-0.2 0.919 118.1 47.8 -60.3 -47.9 -4.6 4.6 -2.2 90 210 A V H >X S+ 0 0 2 -4,-3.3 4,-3.0 2,-0.2 3,-0.6 0.914 112.1 47.5 -69.1 -44.1 -1.7 2.1 -2.1 91 211 A E H 3X S+ 0 0 96 -4,-2.0 4,-2.2 -5,-0.3 5,-0.2 0.965 113.5 48.4 -59.3 -49.6 0.0 3.4 -5.3 92 212 A Q H 3< S+ 0 0 76 -4,-2.1 4,-0.4 -5,-0.3 -1,-0.3 0.660 115.9 45.8 -67.4 -15.3 -0.3 7.0 -4.1 93 213 A M H S+ 0 0 34 -4,-0.4 4,-0.8 2,-0.2 -2,-0.2 0.949 108.8 52.6 -68.7 -50.2 5.3 8.6 -0.7 97 217 A Q H >X S+ 0 0 8 -4,-2.9 4,-2.4 1,-0.2 3,-1.0 0.914 112.5 49.6 -52.3 -38.2 7.1 5.7 1.1 98 218 A Y H 3X>S+ 0 0 47 -4,-2.1 4,-2.3 1,-0.3 5,-0.9 0.849 96.1 65.8 -68.9 -40.2 9.6 6.0 -1.8 99 219 A Q H 3<5S+ 0 0 99 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.656 115.8 34.0 -62.1 -12.8 10.0 9.8 -1.4 100 220 A K H >S+ 0 0 80 -4,-1.9 5,-1.4 -5,-0.4 -1,-0.3 0.243 123.6 34.4 -84.1 13.0 19.0 6.2 0.1 106 226 A Y T X45S+ 0 0 98 -3,-1.5 3,-1.8 3,-0.3 -2,-0.2 0.668 92.3 78.3-129.5 -43.0 20.3 8.8 -2.4 107 227 A D T 3<5S- 0 0 157 -4,-3.4 -3,-0.1 1,-0.3 -2,-0.1 0.802 129.0 -3.6 -53.7 -38.7 20.9 12.2 -0.8 108 228 A G T 3 5S+ 0 0 68 -4,-0.4 -1,-0.3 -5,-0.2 3,-0.1 -0.306 138.8 53.4-140.4 45.0 24.2 11.1 0.7 109 229 A R T < 5S+ 0 0 187 -3,-1.8 -3,-0.3 1,-0.7 -2,-0.1 0.311 98.2 34.0-141.3 -87.2 24.1 7.4 -0.4 110 230 A R < - 0 0 130 -5,-1.4 -1,-0.7 -7,-0.1 -4,-0.0 -0.210 50.6-160.1 -72.1 173.5 23.6 6.4 -4.1 111 231 A S 0 0 113 -3,-0.1 -5,-0.1 -2,-0.0 -4,-0.0 -0.369 360.0 360.0-148.3 50.2 24.9 8.5 -7.0 112 232 A S 0 0 114 -6,-0.0 -2,-0.1 0, 0.0 -6,-0.0 0.454 360.0 360.0 59.2 360.0 22.6 7.0 -9.5