==== 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 MEMBRANE PROTEIN 25-OCT-04 1XU0 . COMPND 2 MOLECULE: PRION PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: XENOPUS LAEVIS; . AUTHOR D.R.PEREZ,K.WUTHRICH . 102 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7101.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 69 67.6 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 . 7 6.9 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 . 14 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 41 40.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 1 0 0 0 0 0 1 0 0 0 0 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 0 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 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 I 0 0 78 0, 0.0 41,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 125.8 14.4 -5.5 1.0 2 126 A G - 0 0 47 39,-2.7 2,-0.2 1,-0.3 40,-0.1 0.793 360.0 -46.7 -73.7 -28.2 15.8 -6.7 4.4 3 127 A G E -A 41 0A 26 38,-0.6 38,-1.8 36,-0.1 -1,-0.3 -0.854 57.0 -96.7 177.8 165.6 12.1 -7.4 5.3 4 128 A Y E +A 40 0A 132 -2,-0.2 2,-0.3 36,-0.2 34,-0.0 -0.700 43.7 178.7 -81.2 147.3 8.7 -6.0 5.3 5 129 A M E -A 39 0A 68 34,-1.4 34,-3.2 -2,-0.3 2,-0.7 -0.974 34.1-114.2-142.2 156.1 7.6 -4.3 8.6 6 130 A L E +A 38 0A 80 -2,-0.3 32,-0.2 32,-0.3 3,-0.1 -0.861 36.4 178.8 -87.9 113.3 4.4 -2.5 9.7 7 131 A G E - 0 0 26 30,-0.8 2,-0.3 -2,-0.7 -1,-0.2 0.900 53.6 -18.4 -76.9 -94.5 5.5 1.1 10.4 8 132 A N E - 0 0 61 1,-0.1 29,-1.3 29,-0.1 -1,-0.3 -0.871 62.8-120.2-124.4 149.8 2.6 3.3 11.5 9 133 A A E -A 36 0A 51 -2,-0.3 27,-0.3 27,-0.2 -1,-0.1 0.049 13.5-144.0 -73.2-173.9 -1.2 2.9 11.3 10 134 A V - 0 0 18 25,-1.6 26,-0.1 26,-0.0 -1,-0.1 0.595 25.9-124.9-122.5 -81.0 -3.6 5.3 9.5 11 135 A G - 0 0 59 24,-0.2 25,-0.1 25,-0.0 24,-0.1 0.643 65.2 -45.7 125.8 77.7 -7.0 5.7 11.3 12 136 A R S S- 0 0 148 23,-0.1 2,-0.5 1,-0.1 18,-0.1 0.561 72.3-150.7 52.5 16.7 -10.2 5.1 9.4 13 137 A M + 0 0 23 1,-0.2 -1,-0.1 22,-0.1 22,-0.0 0.014 26.7 171.4 20.3 -75.0 -8.7 7.2 6.5 14 138 A S + 0 0 65 -2,-0.5 -1,-0.2 9,-0.1 9,-0.1 0.600 18.6 169.1 47.2 31.9 -12.0 8.6 5.1 15 139 A Y - 0 0 74 1,-0.1 -1,-0.1 74,-0.0 74,-0.0 0.143 52.2 -79.3 -50.8 173.5 -10.3 11.0 2.7 16 140 A Q - 0 0 181 2,-0.0 7,-0.1 7,-0.0 -1,-0.1 0.861 60.6-165.8 -43.0 -53.5 -12.0 12.9 -0.1 17 141 A F - 0 0 33 1,-0.1 68,-0.0 5,-0.1 4,-0.0 0.321 29.6-110.9 55.3 162.4 -12.2 10.1 -2.6 18 142 A N S S+ 0 0 120 1,-0.3 -1,-0.1 2,-0.0 -2,-0.0 0.734 100.0 20.2 -88.8 -30.9 -13.0 10.7 -6.3 19 143 A N S >> S- 0 0 88 1,-0.1 3,-1.2 0, 0.0 4,-1.1 -0.992 76.7-122.7-143.9 144.8 -16.4 9.0 -6.1 20 144 A P H 3> S+ 0 0 111 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.761 108.2 68.0 -69.4 -22.8 -18.7 8.2 -3.2 21 145 A M H 3> S+ 0 0 119 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.899 99.7 50.8 -52.8 -44.1 -18.7 4.5 -4.0 22 146 A E H <> S+ 0 0 11 -3,-1.2 4,-2.4 2,-0.2 -1,-0.2 0.930 114.2 43.6 -66.8 -40.8 -15.0 4.4 -3.1 23 147 A S H X S+ 0 0 35 -4,-1.1 4,-2.1 2,-0.2 -2,-0.2 0.960 117.5 43.1 -65.2 -57.4 -15.8 6.1 0.3 24 148 A R H X S+ 0 0 157 -4,-3.1 4,-2.4 2,-0.2 5,-0.3 0.936 114.9 50.3 -58.4 -50.3 -18.9 4.0 1.2 25 149 A Y H X S+ 0 0 23 -4,-2.9 4,-3.1 -5,-0.3 3,-0.4 0.956 110.9 49.0 -56.1 -51.5 -17.2 0.8 0.1 26 150 A Y H < S+ 0 0 2 -4,-2.4 4,-0.4 -5,-0.3 -1,-0.3 0.842 113.1 49.0 -53.2 -38.0 -14.1 1.6 2.2 27 151 A N H < S+ 0 0 54 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.846 116.8 37.9 -78.0 -36.5 -16.4 2.4 5.2 28 152 A D H >< S+ 0 0 118 -4,-2.4 3,-0.6 -3,-0.4 -2,-0.2 0.896 123.1 43.8 -75.9 -40.7 -18.6 -0.7 5.1 29 153 A Y G >X S+ 0 0 72 -4,-3.1 4,-2.5 -5,-0.3 3,-2.0 0.442 80.9 111.5 -84.8 3.0 -15.6 -2.9 4.0 30 154 A Y G 34 S+ 0 0 75 -4,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.750 72.4 58.0 -46.9 -37.5 -13.4 -1.2 6.7 31 155 A N G <4 S+ 0 0 144 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.796 113.7 36.4 -66.5 -36.2 -13.3 -4.5 8.7 32 156 A Q T <4 S+ 0 0 113 -3,-2.0 -2,-0.2 -4,-0.1 -1,-0.2 0.794 106.9 83.5 -84.8 -33.3 -11.8 -6.4 5.7 33 157 A M S < S- 0 0 13 -4,-2.5 2,-0.1 -7,-0.2 53,-0.0 -0.172 94.8 -89.4 -64.6 160.7 -9.6 -3.4 4.6 34 158 A P - 0 0 4 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.367 21.2-154.5 -71.4 157.3 -6.2 -2.8 6.3 35 159 A N S S+ 0 0 90 -25,-0.1 -25,-1.6 -4,-0.1 2,-0.2 0.405 79.2 13.1-105.8 -1.9 -5.9 -0.6 9.5 36 160 A R E S-A 9 0A 40 -27,-0.3 2,-0.3 -26,-0.1 -27,-0.2 -0.869 78.3-106.3-158.6 179.2 -2.3 0.4 8.8 37 161 A V E - 0 0 1 -29,-1.3 -30,-0.8 -2,-0.2 2,-0.2 -0.893 22.5-135.1-125.3 149.2 0.4 0.3 6.0 38 162 A Y E -A 6 0A 47 -2,-0.3 -32,-0.3 -32,-0.2 23,-0.1 -0.711 19.7-140.1 -98.1 167.1 3.5 -2.0 5.7 39 163 A R E -A 5 0A 80 -34,-3.2 -34,-1.4 -2,-0.2 2,-0.9 -0.978 10.6-132.6-135.5 129.4 7.0 -0.7 4.7 40 164 A P E -A 4 0A 10 0, 0.0 2,-1.1 0, 0.0 -36,-0.2 -0.733 25.0-152.8 -74.0 103.4 9.9 -2.0 2.4 41 165 A M E -A 3 0A 79 -38,-1.8 -39,-2.7 -2,-0.9 -38,-0.6 -0.729 13.1-168.3 -79.7 103.7 13.0 -1.6 4.6 42 166 A Y - 0 0 56 -2,-1.1 3,-0.2 -41,-0.2 4,-0.1 -0.726 16.0-163.0 -78.2 143.7 15.8 -1.1 2.1 43 167 A R S S+ 0 0 207 -2,-0.3 -1,-0.1 1,-0.2 2,-0.1 0.463 90.5 13.0 -99.2 -9.3 19.3 -1.4 3.6 44 168 A G S S+ 0 0 61 -3,-0.0 -1,-0.2 3,-0.0 -3,-0.0 -0.489 81.7 119.0-173.0 81.0 20.8 0.3 0.5 45 169 A E + 0 0 73 -3,-0.2 -2,-0.0 -2,-0.1 0, 0.0 0.657 19.6 156.6-101.2 -72.5 18.3 1.9 -1.9 46 170 A E + 0 0 156 1,-0.1 -3,-0.0 2,-0.1 0, 0.0 0.389 64.1 72.0 53.4 6.6 19.4 5.6 -1.9 47 171 A Y + 0 0 200 2,-0.1 2,-0.4 5,-0.0 -1,-0.1 -0.234 68.3 109.1-144.3 42.7 17.7 6.1 -5.4 48 172 A V - 0 0 35 4,-0.0 2,-0.2 3,-0.0 -2,-0.1 -0.983 42.4-166.3-120.8 137.6 13.9 6.0 -4.7 49 173 A S >> - 0 0 67 -2,-0.4 4,-2.7 0, 0.0 3,-0.6 -0.550 47.8 -87.3-105.3 175.7 11.5 8.9 -4.9 50 174 A E H 3> S+ 0 0 126 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.765 128.1 58.5 -63.3 -28.5 7.9 8.8 -3.5 51 175 A D H 3> S+ 0 0 91 2,-0.2 4,-1.9 3,-0.2 -1,-0.3 0.899 111.8 40.3 -65.4 -42.2 6.6 7.4 -6.8 52 176 A R H <> S+ 0 0 137 -3,-0.6 4,-2.5 2,-0.2 5,-0.2 0.867 117.2 49.1 -74.5 -38.6 9.0 4.3 -6.4 53 177 A F H X S+ 0 0 13 -4,-2.7 4,-3.0 2,-0.2 5,-0.3 0.973 112.8 47.3 -63.4 -52.2 8.3 4.1 -2.6 54 178 A V H X S+ 0 0 20 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.902 115.5 45.1 -61.2 -42.6 4.5 4.3 -3.2 55 179 A R H X S+ 0 0 120 -4,-1.9 4,-3.2 2,-0.2 -1,-0.2 0.934 116.0 44.6 -66.3 -44.7 4.6 1.6 -5.9 56 180 A D H X S+ 0 0 56 -4,-2.5 4,-1.1 2,-0.2 -2,-0.2 0.938 118.6 43.7 -70.6 -39.7 7.0 -0.8 -4.1 57 181 A C H >X S+ 0 0 1 -4,-3.0 4,-2.6 -5,-0.2 3,-0.8 0.948 116.1 49.2 -60.4 -50.7 5.0 -0.4 -0.8 58 182 A Y H 3X S+ 0 0 58 -4,-2.8 4,-3.2 -5,-0.3 5,-0.3 0.916 103.3 60.6 -51.9 -50.6 1.8 -0.7 -2.8 59 183 A N H 3X S+ 0 0 92 -4,-3.2 4,-0.8 1,-0.2 -1,-0.2 0.728 112.5 38.5 -60.1 -28.6 3.0 -3.8 -4.7 60 184 A M H < S+ 0 0 24 -4,-3.2 3,-1.8 1,-0.2 5,-0.2 0.938 110.3 48.1 -53.8 -53.9 -2.0 -5.2 -2.8 63 187 A T H >X>S+ 0 0 56 -4,-0.8 5,-1.7 1,-0.3 3,-1.6 0.909 105.6 59.6 -56.1 -42.3 -0.7 -8.8 -2.6 64 188 A E H 3<5S+ 0 0 34 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.662 118.9 30.2 -59.5 -17.3 -1.4 -8.9 1.2 65 189 A Y T <<5S+ 0 0 21 -3,-1.8 -1,-0.3 -4,-0.7 -2,-0.2 0.076 128.8 36.3-134.1 20.8 -5.1 -8.1 0.4 66 190 A I T <45S+ 0 0 60 -3,-1.6 4,-0.4 -4,-0.2 -3,-0.2 0.471 122.6 34.5-130.1 -55.4 -5.5 -9.8 -3.1 67 191 A I T ><5S+ 0 0 109 -4,-1.4 3,-1.2 -5,-0.2 4,-0.2 0.946 120.1 50.7 -76.0 -43.8 -3.4 -13.0 -3.1 68 192 A K G > S+ 0 0 30 0, 0.0 3,-0.6 0, 0.0 -1,-0.3 0.613 92.8 81.0 -64.1 -5.8 -7.9 -13.3 0.3 70 194 A A G < + 0 0 68 -3,-1.2 3,-0.3 -4,-0.4 -2,-0.2 0.627 61.6 99.6 -68.7 -11.8 -7.6 -15.7 -2.7 71 195 A E G < S- 0 0 188 -3,-2.0 -1,-0.2 1,-0.2 -3,-0.1 0.872 116.7 -33.7 -42.6 -54.1 -7.5 -18.6 -0.2 72 196 A G S < S+ 0 0 64 -3,-0.6 2,-0.4 0, 0.0 -1,-0.2 -0.286 97.9 124.4-168.9 71.3 -11.3 -19.2 -0.8 73 197 A K - 0 0 136 -3,-0.3 2,-1.1 -4,-0.2 0, 0.0 -0.908 37.7-164.7-135.5 98.3 -13.2 -15.9 -1.6 74 198 A N + 0 0 168 -2,-0.4 -4,-0.0 1,-0.2 4,-0.0 -0.765 21.0 161.2 -88.9 90.7 -15.0 -16.1 -4.9 75 199 A N > - 0 0 69 -2,-1.1 3,-0.7 2,-0.0 -1,-0.2 0.876 30.1-154.2 -69.7 -42.0 -16.0 -12.5 -5.7 76 200 A S T 3 S- 0 0 112 1,-0.2 2,-0.3 2,-0.1 -2,-0.1 0.997 77.5 -30.1 45.8 79.3 -16.6 -13.1 -9.5 77 201 A E T > S+ 0 0 146 1,-0.1 3,-2.3 3,-0.0 4,-0.4 0.065 117.9 104.3 71.8 -14.2 -15.8 -9.6 -10.8 78 202 A L T <> S+ 0 0 91 -3,-0.7 4,-1.2 -2,-0.3 3,-0.4 0.770 70.3 71.0 -55.0 -22.0 -17.1 -8.1 -7.4 79 203 A N H 3> S+ 0 0 46 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.673 76.6 81.2 -72.4 -12.9 -13.3 -7.7 -6.9 80 204 A Q H <> S+ 0 0 89 -3,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.950 101.2 32.4 -57.1 -53.9 -13.3 -4.9 -9.5 81 205 A L H > S+ 0 0 47 -3,-0.4 4,-2.7 -4,-0.4 5,-0.4 0.889 116.4 59.9 -72.6 -35.4 -14.6 -2.2 -7.1 82 206 A D H X S+ 0 0 28 -4,-1.2 4,-2.3 1,-0.2 -2,-0.2 0.940 113.3 36.8 -54.7 -50.8 -12.7 -4.0 -4.3 83 207 A T H X S+ 0 0 45 -4,-3.3 4,-3.2 2,-0.2 5,-0.3 0.871 112.2 61.6 -67.1 -40.0 -9.4 -3.5 -6.1 84 208 A T H X S+ 0 0 65 -4,-2.4 4,-1.8 -5,-0.3 -2,-0.2 0.966 115.5 31.2 -52.2 -59.3 -10.6 -0.0 -7.4 85 209 A V H X S+ 0 0 0 -4,-2.7 4,-3.3 1,-0.2 5,-0.2 0.915 118.2 55.6 -65.2 -45.9 -10.8 1.4 -3.9 86 210 A K H X S+ 0 0 15 -4,-2.3 4,-2.4 -5,-0.4 -2,-0.2 0.873 108.1 49.2 -63.2 -35.0 -8.0 -0.8 -2.5 87 211 A S H X S+ 0 0 37 -4,-3.2 4,-2.1 2,-0.2 -1,-0.2 0.975 115.2 43.8 -60.2 -56.7 -5.6 0.6 -5.1 88 212 A Q H X S+ 0 0 60 -4,-1.8 4,-2.0 -5,-0.3 -2,-0.2 0.922 116.2 46.7 -55.9 -51.9 -6.6 4.2 -4.4 89 213 A I H X S+ 0 0 0 -4,-3.3 4,-3.1 1,-0.2 5,-0.3 0.919 109.1 52.5 -63.8 -46.3 -6.5 3.8 -0.6 90 214 A I H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.906 109.9 50.4 -58.9 -42.6 -3.2 1.9 -0.4 91 215 A R H X S+ 0 0 114 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.920 114.8 43.5 -57.9 -45.7 -1.6 4.8 -2.5 92 216 A E H X S+ 0 0 37 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.874 111.5 53.0 -68.3 -40.4 -3.1 7.3 -0.0 93 217 A M H X S+ 0 0 1 -4,-3.1 4,-1.4 2,-0.2 -1,-0.2 0.852 109.0 52.2 -60.3 -35.8 -2.1 5.3 3.0 94 218 A C H X S+ 0 0 0 -4,-2.0 4,-1.3 -5,-0.3 -2,-0.2 0.928 107.8 49.2 -70.4 -44.9 1.4 5.2 1.6 95 219 A I H X S+ 0 0 52 -4,-1.9 4,-0.8 1,-0.2 -2,-0.2 0.906 108.8 54.6 -58.0 -43.8 1.5 9.1 1.3 96 220 A T H >X S+ 0 0 3 -4,-2.4 3,-0.9 1,-0.2 4,-0.9 0.865 99.6 61.1 -61.4 -34.2 0.2 9.4 4.9 97 221 A E H >X S+ 0 0 7 -4,-1.4 4,-3.1 1,-0.3 3,-1.4 0.953 103.9 49.1 -59.2 -45.8 3.1 7.2 6.1 98 222 A Y H 3< S+ 0 0 91 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.698 110.6 52.7 -59.2 -27.0 5.6 9.8 4.8 99 223 A R H << S+ 0 0 189 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.465 116.9 35.0 -98.7 -6.8 3.6 12.6 6.5 100 224 A R H << S+ 0 0 139 -3,-1.4 -2,-0.2 -4,-0.9 -3,-0.2 0.579 113.2 58.8-104.1 -31.8 3.6 10.9 10.0 101 225 A G < 0 0 58 -4,-3.1 -2,-0.2 -5,-0.3 -3,-0.2 0.513 360.0 360.0 -71.6 -10.2 7.1 9.6 9.4 102 226 A S 0 0 129 -5,-0.2 -3,-0.0 -4,-0.0 0, 0.0 -0.727 360.0 360.0-114.1 360.0 8.0 13.3 9.0