==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PRION PROTEIN 31-MAR-97 1AG2 . COMPND 2 MOLECULE: MAJOR PRION PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR M.BILLETER,R.RIEK,G.WIDER,K.WUTHRICH,S.HORNEMANN, . 103 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6438.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 75 72.8 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 . 5 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 17.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 43.7 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 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 1 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 1 124 A G > 0 0 69 0, 0.0 4,-0.9 0, 0.0 7,-0.1 0.000 360.0 360.0 360.0 -44.0 -10.6 12.2 4.6 2 125 A L T 4 - 0 0 95 1,-0.2 2,-0.6 2,-0.1 4,-0.1 0.406 360.0 -79.3 61.7 7.1 -8.5 13.8 1.8 3 126 A G T 4 S+ 0 0 79 2,-0.4 -1,-0.2 1,-0.1 0, 0.0 -0.706 121.6 29.9 120.2 -71.7 -11.8 14.6 0.1 4 127 A G T 4 S+ 0 0 67 -2,-0.6 -2,-0.1 -3,-0.1 2,-0.1 0.594 118.5 37.7 -93.5 -14.5 -13.2 11.6 -1.7 5 128 A Y S < S- 0 0 66 -4,-0.9 2,-0.5 36,-0.1 -2,-0.4 -0.359 81.0 -98.3-128.1-172.1 -11.8 8.8 0.5 6 129 A M E -A 40 0A 81 34,-1.9 2,-1.1 -2,-0.1 34,-1.0 -0.963 22.4-162.9-118.3 107.1 -10.9 7.7 4.0 7 130 A L E -A 39 0A 59 -2,-0.5 32,-0.2 32,-0.3 -5,-0.1 -0.851 32.2-136.0 -79.2 96.5 -7.2 8.2 4.8 8 131 A G - 0 0 8 30,-1.5 30,-0.2 -2,-1.1 3,-0.1 -0.337 14.7-111.0 -64.1 148.5 -7.4 5.8 7.8 9 132 A S S S- 0 0 114 1,-0.1 2,-0.2 28,-0.1 -1,-0.1 0.652 85.6 -38.9 -58.6 -25.6 -5.7 6.9 11.0 10 133 A A - 0 0 54 28,-0.1 2,-0.3 25,-0.0 27,-0.2 -0.816 60.6-164.4 175.4 160.9 -2.9 4.2 10.6 11 134 A M - 0 0 25 25,-2.1 2,-0.1 -2,-0.2 80,-0.1 -0.899 33.6 -75.6-147.0 177.7 -2.8 0.5 9.5 12 135 A S - 0 0 78 -2,-0.3 82,-0.1 78,-0.2 81,-0.1 -0.437 39.7-112.8 -75.6 150.4 -0.4 -2.4 9.8 13 136 A R - 0 0 90 -2,-0.1 -1,-0.1 80,-0.0 23,-0.1 -0.730 42.4-134.9 -68.0 126.5 2.8 -2.9 7.8 14 137 A P - 0 0 10 0, 0.0 2,-0.4 0, 0.0 72,-0.1 -0.259 5.8-139.8 -66.2 172.0 1.9 -5.9 5.6 15 138 A M + 0 0 100 71,-0.0 2,-0.4 2,-0.0 9,-0.0 -0.976 26.1 179.8-130.9 138.2 4.3 -8.8 5.1 16 139 A I - 0 0 17 -2,-0.4 2,-0.8 8,-0.1 12,-0.1 -0.991 30.4-134.6-145.2 129.4 4.3 -10.2 1.5 17 140 A H - 0 0 143 -2,-0.4 4,-0.1 1,-0.1 -2,-0.0 -0.802 19.0-164.5 -86.8 108.1 6.3 -13.0 -0.1 18 141 A F - 0 0 27 -2,-0.8 -1,-0.1 2,-0.3 3,-0.1 0.613 39.2-112.6 -72.6 -13.8 7.4 -11.4 -3.3 19 142 A G S S+ 0 0 60 1,-0.1 2,-0.4 2,-0.0 -1,-0.1 0.095 99.8 73.9 96.3 -16.3 8.4 -14.8 -5.0 20 143 A N S >> S- 0 0 62 1,-0.1 4,-1.7 0, 0.0 3,-0.9 -0.996 82.0-133.9-124.9 132.8 12.1 -13.8 -4.9 21 144 A D H 3> S+ 0 0 89 -2,-0.4 4,-2.8 1,-0.3 5,-0.1 0.861 105.0 48.6 -51.1 -45.3 14.0 -13.8 -1.6 22 145 A W H 3> S+ 0 0 160 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.702 106.8 54.3 -80.3 -17.2 15.6 -10.4 -2.2 23 146 A E H <> S+ 0 0 58 -3,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.807 110.5 48.0 -80.0 -28.2 12.4 -8.7 -3.2 24 147 A D H X S+ 0 0 34 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.979 115.7 44.4 -68.4 -53.4 11.0 -9.9 0.2 25 148 A R H X S+ 0 0 139 -4,-2.8 4,-3.1 2,-0.2 5,-0.2 0.862 109.1 58.2 -55.5 -42.4 14.1 -8.6 1.9 26 149 A Y H X S+ 0 0 68 -4,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.968 112.4 38.9 -56.1 -56.7 13.9 -5.4 -0.2 27 150 A Y H >X S+ 0 0 0 -4,-2.1 3,-1.4 2,-0.2 4,-1.3 0.939 118.2 49.1 -57.5 -47.6 10.4 -4.6 1.2 28 151 A R H >< S+ 0 0 93 -4,-2.9 3,-0.5 1,-0.3 4,-0.3 0.911 107.9 52.3 -64.1 -45.8 11.2 -5.8 4.7 29 152 A E H 3< S+ 0 0 111 -4,-3.1 -1,-0.3 1,-0.2 -2,-0.2 0.673 121.2 36.8 -53.8 -21.3 14.4 -3.8 4.9 30 153 A N H XX S+ 0 0 25 -3,-1.4 3,-1.4 -4,-0.7 4,-1.4 0.529 80.8 101.9-114.4 -9.3 12.3 -0.8 3.9 31 154 A M T << S+ 0 0 36 -4,-1.3 -2,-0.1 -3,-0.5 -3,-0.1 0.710 81.0 59.9 -58.1 -22.3 8.9 -1.4 5.7 32 155 A Y T 34 S+ 0 0 125 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.876 108.8 41.1 -68.1 -44.9 10.0 1.2 8.3 33 156 A R T <4 S+ 0 0 126 -3,-1.4 -2,-0.2 -4,-0.1 -1,-0.2 0.758 104.1 89.5 -72.7 -30.5 10.3 4.0 5.7 34 157 A Y S < S- 0 0 3 -4,-1.4 -21,-0.0 1,-0.2 -3,-0.0 0.130 92.6 -59.5 -68.3 176.4 7.2 2.9 3.9 35 158 A P - 0 0 4 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.148 32.9-176.7 -54.8 154.5 3.5 4.1 4.5 36 159 A N S S+ 0 0 85 1,-0.3 -25,-2.1 -3,-0.1 2,-0.3 0.243 79.3 40.2-121.9 -0.6 1.8 3.6 7.9 37 160 A Q - 0 0 73 -27,-0.2 2,-0.3 23,-0.1 -1,-0.3 -0.980 66.1-179.2-142.9 147.6 -1.5 5.1 6.5 38 161 A V - 0 0 1 -2,-0.3 -30,-1.5 -30,-0.2 2,-0.2 -0.951 29.3-110.5-140.1 156.5 -3.2 4.7 3.1 39 162 A Y E -A 7 0A 14 -2,-0.3 2,-0.3 -32,-0.2 -32,-0.3 -0.486 33.8-168.3 -68.5 158.9 -6.4 6.1 1.5 40 163 A Y E -A 6 0A 40 -34,-1.0 -34,-1.9 -2,-0.2 13,-0.1 -0.941 23.0-156.2-148.4 136.5 -9.3 3.7 0.9 41 164 A R - 0 0 58 -2,-0.3 2,-0.2 -36,-0.2 -36,-0.1 -0.940 46.0-114.3 -89.4 124.4 -12.5 3.9 -1.1 42 165 A P - 0 0 71 0, 0.0 2,-1.8 0, 0.0 3,-0.4 -0.496 8.9-134.6 -70.5 131.3 -14.6 1.3 0.7 43 166 A V + 0 0 12 -2,-0.2 56,-0.0 1,-0.2 6,-0.0 -0.673 50.1 147.9 -74.3 83.8 -15.7 -1.9 -1.1 44 167 A D S S- 0 0 147 -2,-1.8 -1,-0.2 0, 0.0 -3,-0.0 0.819 86.0 -21.6 -78.0 -38.5 -19.3 -1.5 0.1 45 168 A Q S S+ 0 0 144 -3,-0.4 -2,-0.1 2,-0.0 0, 0.0 0.580 114.2 89.0-143.4 -33.8 -20.6 -3.1 -3.1 46 169 A Y S S- 0 0 156 -4,-0.3 2,-0.5 1,-0.2 -3,-0.1 0.842 71.1-160.8 -52.3 -52.9 -18.2 -2.9 -6.1 47 170 A S + 0 0 46 2,-0.0 -1,-0.2 1,-0.0 5,-0.2 -0.948 49.7 80.7 117.3-102.6 -16.4 -6.2 -5.3 48 171 A N >> - 0 0 89 -2,-0.5 3,-1.7 1,-0.1 4,-0.7 0.013 68.9-132.5 -55.9 138.2 -12.9 -7.2 -6.5 49 172 A Q H >> S+ 0 0 22 1,-0.3 4,-2.7 2,-0.2 3,-1.1 0.866 101.7 63.1 -64.0 -35.5 -10.1 -5.7 -4.5 50 173 A N H 3> S+ 0 0 112 1,-0.3 4,-1.0 2,-0.2 -1,-0.3 0.767 95.2 62.1 -57.3 -30.4 -8.1 -4.5 -7.6 51 174 A N H <4 S+ 0 0 22 -3,-1.7 4,-0.3 2,-0.2 -1,-0.3 0.858 114.9 30.6 -68.2 -33.6 -11.0 -2.2 -8.6 52 175 A F H XX S+ 0 0 0 -3,-1.1 3,-1.3 -4,-0.7 4,-0.7 0.835 109.5 67.4 -94.0 -36.2 -10.8 -0.1 -5.4 53 176 A V H 3X S+ 0 0 5 -4,-2.7 4,-2.8 1,-0.3 5,-0.4 0.696 85.1 78.8 -54.9 -21.2 -7.0 -0.6 -5.0 54 177 A H H 3X S+ 0 0 101 -4,-1.0 4,-1.6 1,-0.2 -1,-0.3 0.950 94.8 42.9 -49.4 -56.6 -6.8 1.5 -8.3 55 178 A D H <>>S+ 0 0 29 -3,-1.3 4,-1.6 -4,-0.3 5,-0.5 0.731 118.5 49.0 -70.7 -17.7 -7.3 4.7 -6.3 56 179 A a H X>S+ 0 0 1 -4,-0.7 4,-2.0 -3,-0.2 5,-1.3 0.970 110.1 44.0 -78.2 -69.6 -4.9 3.4 -3.7 57 180 A V H <5S+ 0 0 38 -4,-2.8 -2,-0.2 3,-0.2 -3,-0.2 0.703 125.2 43.6 -57.4 -16.7 -1.9 2.3 -5.9 58 181 A N H X5S+ 0 0 82 -4,-1.6 4,-2.4 -5,-0.4 -2,-0.2 0.891 127.1 19.2 -77.9 -83.2 -2.6 5.6 -7.6 59 182 A I H X5S+ 0 0 52 -4,-1.6 4,-2.8 1,-0.2 -3,-0.2 0.794 124.2 50.9 -76.8 -32.6 -3.2 8.3 -5.0 60 183 A T H X>X>S+ 0 0 110 -4,-2.4 4,-1.9 1,-0.2 3,-1.5 0.949 112.6 49.5 -50.7 -56.0 1.6 9.6 -5.1 63 186 A Q H 3<5S+ 0 0 76 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.604 111.9 48.7 -71.3 -8.7 0.9 10.9 -1.5 64 187 A H H <<5S+ 0 0 26 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.403 120.5 37.3-106.5 1.0 3.7 8.7 -0.1 65 188 A T H XX5S+ 0 0 26 -3,-1.5 4,-3.4 -4,-0.8 3,-1.6 0.769 122.0 36.2 -99.3 -69.4 6.1 9.9 -2.8 66 189 A V H 3X5S+ 0 0 84 -4,-1.9 4,-1.7 1,-0.3 -3,-0.2 0.872 123.5 43.6 -50.4 -50.2 5.4 13.6 -3.5 67 190 A T H 34>S+ 0 0 14 -3,-1.6 5,-1.4 2,-0.1 3,-1.2 0.775 110.8 53.5 -98.4 -42.2 7.6 12.4 1.5 69 192 A T H ><5S+ 0 0 55 -4,-3.4 3,-1.3 1,-0.3 -2,-0.2 0.829 93.8 75.4 -63.6 -25.1 10.1 13.7 -1.1 70 193 A T T 3<5S+ 0 0 119 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.1 0.867 98.0 44.1 -52.1 -40.0 8.9 17.2 0.1 71 194 A K T <45S- 0 0 161 -3,-1.2 -1,-0.3 -4,-0.2 -2,-0.2 0.596 134.6 -89.9 -82.7 -11.1 11.1 16.6 3.3 72 195 A G T <<5S+ 0 0 65 -3,-1.3 -3,-0.2 -4,-0.5 -2,-0.1 0.404 85.5 131.5 112.0 4.5 14.0 15.2 1.2 73 196 A E < - 0 0 29 -5,-1.4 -1,-0.3 -8,-0.1 2,-0.3 -0.322 36.6-165.3 -59.5 161.4 13.2 11.5 1.1 74 197 A N - 0 0 108 -2,-0.0 2,-0.5 -4,-0.0 -9,-0.1 -0.773 10.4-162.5-154.3 120.9 13.3 9.9 -2.3 75 198 A F - 0 0 10 -2,-0.3 -6,-0.0 -11,-0.1 -7,-0.0 -0.881 23.2-134.5 -92.8 123.2 11.9 6.5 -3.2 76 199 A T > - 0 0 63 -2,-0.5 4,-2.6 1,-0.1 5,-0.2 -0.097 32.0 -94.8 -60.8 171.9 13.3 5.1 -6.5 77 200 A E H > S+ 0 0 154 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.899 131.9 49.6 -53.8 -42.6 11.1 3.6 -9.2 78 201 A T H > S+ 0 0 69 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.918 108.0 51.7 -65.6 -45.0 12.0 0.2 -7.6 79 202 A D H > S+ 0 0 15 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.918 112.9 46.7 -58.8 -44.0 11.0 1.5 -4.1 80 203 A V H X S+ 0 0 35 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.946 110.9 50.7 -62.7 -50.9 7.7 2.7 -5.6 81 204 A K H X S+ 0 0 127 -4,-2.8 4,-0.8 1,-0.2 3,-0.2 0.882 111.5 49.0 -55.7 -41.4 7.1 -0.7 -7.4 82 205 A M H >X S+ 0 0 9 -4,-2.6 4,-1.0 1,-0.2 3,-0.8 0.927 107.5 55.3 -63.3 -43.4 7.8 -2.5 -4.1 83 206 A M H 3X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.778 93.5 70.9 -62.0 -27.0 5.3 -0.1 -2.3 84 207 A E H 3X S+ 0 0 83 -4,-1.5 4,-2.6 -3,-0.2 -1,-0.2 0.913 100.1 46.4 -53.3 -44.2 2.5 -1.1 -4.9 85 208 A R H X S+ 0 0 48 -4,-1.4 4,-2.9 -5,-0.2 3,-1.7 0.999 113.3 48.5 -64.7 -64.8 -2.3 -5.0 1.0 90 213 A M H 3X S+ 0 0 0 -4,-3.2 4,-2.4 1,-0.3 -2,-0.2 0.775 105.8 57.4 -50.0 -43.8 -2.6 -2.1 3.5 91 214 A a H 3X S+ 0 0 0 -4,-2.3 4,-1.3 2,-0.2 -1,-0.3 0.856 119.0 33.2 -56.3 -38.2 -5.8 -0.7 1.8 92 215 A V H < S+ 0 0 46 -4,-2.4 3,-1.1 -5,-0.2 -1,-0.2 0.995 121.2 29.7 -61.9 -78.4 -7.5 -1.7 7.0 95 218 A Y H >X S+ 0 0 24 -4,-1.3 3,-2.6 1,-0.3 4,-2.0 0.504 89.9 103.5 -77.9 1.1 -11.1 -2.5 5.8 96 219 A Q H 3X + 0 0 36 -4,-2.9 4,-2.1 1,-0.3 -1,-0.3 0.702 57.0 87.7 -42.5 -28.3 -10.4 -6.3 6.1 97 220 A K H <4 S+ 0 0 176 -3,-1.1 -1,-0.3 -5,-0.2 -2,-0.1 0.733 115.0 9.1 -57.8 -18.9 -12.4 -6.0 9.3 98 221 A E H X4 S+ 0 0 157 -3,-2.6 3,-1.8 2,-0.0 -2,-0.2 0.619 127.8 63.1-107.0 -57.5 -15.3 -6.6 6.9 99 222 A S H >X + 0 0 1 -4,-2.0 4,-2.6 1,-0.3 3,-1.2 0.329 67.3 96.2 -64.2 1.4 -13.5 -7.6 3.7 100 223 A Q T 3< S+ 0 0 146 -4,-2.1 -1,-0.3 1,-0.2 -3,-0.1 0.772 82.0 65.3 -52.7 -23.1 -11.8 -10.8 5.1 101 224 A A T <4 S+ 0 0 89 -3,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.851 112.4 30.0 -59.8 -38.9 -14.9 -12.1 3.3 102 225 A Y T <4 0 0 103 -3,-1.2 -2,-0.2 -6,-0.1 -1,-0.1 0.856 360.0 360.0 -87.6 -51.1 -13.4 -10.9 -0.0 103 226 A Y < 0 0 121 -4,-2.6 -55,-0.0 -7,-0.1 -3,-0.0 0.142 360.0 360.0 -85.5 360.0 -9.6 -11.1 0.3