==== 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 10-NOV-04 1XYK . COMPND 2 MOLECULE: PRION PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CANIS LUPUS FAMILIARIS; . AUTHOR D.A.LYSEK,C.SCHORN,V.ESTEVE-MOYA,T.HERRMANN,K.WUTHRICH . 111 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7985.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 69 62.2 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 . 0 0.0 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 . 2 1.8 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 . 4 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 39.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 3.6 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 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 2 0 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 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 . 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 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 0 174 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 135.4 0.5 -18.3 5.4 2 122 A V + 0 0 138 2,-0.0 68,-0.0 3,-0.0 2,-0.0 -0.852 360.0 131.0-161.0 115.1 2.9 -16.0 3.5 3 123 A G + 0 0 74 -2,-0.3 3,-0.1 67,-0.0 -1,-0.0 -0.355 54.5 64.5-170.5 79.8 5.1 -17.3 0.6 4 124 A G S S+ 0 0 54 1,-0.5 2,-0.2 62,-0.0 63,-0.1 0.204 77.0 79.9-168.2 -38.8 5.0 -15.2 -2.6 5 125 A L + 0 0 68 61,-0.1 -1,-0.5 2,-0.0 2,-0.1 -0.592 42.6 128.9 -81.7 148.5 6.5 -11.8 -2.0 6 126 A G + 0 0 71 -2,-0.2 3,-0.1 -3,-0.1 -3,-0.0 -0.217 41.3 80.6 159.5 90.6 10.3 -11.3 -1.9 7 127 A G S S+ 0 0 67 1,-0.8 2,-0.1 2,-0.1 -2,-0.0 0.033 81.6 46.8-164.6 -58.7 12.0 -8.6 -4.0 8 128 A Y S S- 0 0 73 1,-0.2 -1,-0.8 54,-0.1 36,-0.2 -0.342 83.8 -99.4 -90.8 175.0 11.8 -5.2 -2.4 9 129 A M - 0 0 72 34,-2.4 2,-0.4 -2,-0.1 -1,-0.2 0.059 36.3-101.2 -79.5-166.8 12.6 -4.1 1.2 10 130 A L - 0 0 98 32,-0.2 32,-0.2 30,-0.0 2,-0.1 -0.997 33.4-151.0-129.1 116.8 10.1 -3.5 4.1 11 131 A G - 0 0 2 30,-3.1 87,-0.1 -2,-0.4 83,-0.0 -0.461 33.9 -75.7 -88.1 164.0 9.2 0.1 5.0 12 132 A S - 0 0 44 85,-0.2 29,-0.2 -2,-0.1 -1,-0.2 -0.197 47.9-113.6 -68.0 151.1 8.2 1.5 8.4 13 133 A A + 0 0 47 27,-0.1 2,-0.2 -3,-0.1 27,-0.2 -0.235 40.3 159.3 -79.8 168.0 4.7 0.9 9.8 14 134 A M - 0 0 33 25,-0.8 2,-0.2 -2,-0.0 -1,-0.0 -0.877 41.7 -63.6-163.9-176.0 2.0 3.6 10.5 15 135 A S - 0 0 87 -2,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.526 67.9 -79.4 -75.3 161.6 -1.7 4.2 11.0 16 136 A R - 0 0 99 -2,-0.2 -1,-0.1 1,-0.1 19,-0.1 -0.460 56.0-134.4 -53.0 117.5 -4.3 3.5 8.3 17 137 A P - 0 0 21 0, 0.0 2,-0.3 0, 0.0 72,-0.1 -0.354 15.8-156.3 -73.0 168.4 -4.0 6.6 6.0 18 138 A L - 0 0 68 -2,-0.1 2,-0.2 70,-0.1 9,-0.0 -0.779 4.1-164.7-154.4 106.7 -7.1 8.4 4.8 19 139 A I - 0 0 29 -2,-0.3 2,-1.3 66,-0.1 3,-0.2 -0.618 30.2-113.0 -84.9 143.5 -7.1 10.5 1.6 20 140 A H + 0 0 177 -2,-0.2 -1,-0.0 1,-0.2 7,-0.0 -0.637 43.7 161.1 -82.9 87.1 -10.1 12.9 0.9 21 141 A F - 0 0 30 -2,-1.3 -1,-0.2 2,-0.2 3,-0.1 0.696 35.4-151.7 -72.8 -20.3 -11.9 11.5 -2.1 22 142 A G + 0 0 73 1,-0.2 2,-0.5 -3,-0.2 -1,-0.1 0.320 61.9 114.4 64.1 -8.6 -14.9 13.8 -0.9 23 143 A N > - 0 0 100 1,-0.1 4,-2.3 2,-0.0 -1,-0.2 -0.860 64.7-147.1 -90.0 125.5 -17.4 11.3 -2.4 24 144 A D H > S+ 0 0 102 -2,-0.5 4,-2.6 1,-0.3 -1,-0.1 0.871 91.6 45.4 -83.2 -37.4 -19.0 10.1 0.7 25 145 A Y H > S+ 0 0 136 2,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.932 115.3 50.7 -53.8 -52.7 -19.8 6.5 -0.3 26 146 A E H > S+ 0 0 46 1,-0.2 4,-0.6 2,-0.2 -2,-0.2 0.829 112.4 45.4 -64.7 -39.1 -16.3 6.2 -1.7 27 147 A D H >X S+ 0 0 39 -4,-2.3 4,-2.8 2,-0.2 3,-1.2 0.952 113.8 49.1 -65.2 -52.5 -14.8 7.5 1.5 28 148 A R H 3X S+ 0 0 125 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.855 95.2 73.7 -55.1 -40.9 -17.0 5.3 3.7 29 149 A Y H 3< S+ 0 0 109 -4,-2.7 4,-0.3 1,-0.2 -1,-0.2 0.782 116.4 20.8 -51.4 -34.2 -16.1 2.2 1.6 30 150 A Y H XX S+ 0 0 7 -3,-1.2 4,-2.2 -4,-0.6 3,-0.7 0.812 115.8 66.9 -96.0 -44.3 -12.6 2.3 3.3 31 151 A R H 3< S+ 0 0 131 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.729 91.1 71.7 -52.2 -24.9 -13.5 4.4 6.4 32 152 A E T 3< S- 0 0 138 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.1 0.965 130.2 -25.4 -47.7 -68.4 -15.7 1.3 7.5 33 153 A N T X4 S+ 0 0 58 -3,-0.7 3,-2.0 -4,-0.3 -2,-0.2 0.082 81.4 143.7-149.2 22.5 -12.9 -1.2 8.4 34 154 A M G >< + 0 0 10 -4,-2.2 3,-2.4 1,-0.3 -3,-0.1 0.622 55.4 86.0 -52.9 -22.1 -9.8 -0.2 6.4 35 155 A Y G 3 S+ 0 0 156 1,-0.3 -1,-0.3 -5,-0.1 -4,-0.0 0.692 73.1 75.3 -55.3 -20.2 -7.4 -1.1 9.2 36 156 A R G < S+ 0 0 179 -3,-2.0 -1,-0.3 2,-0.1 -2,-0.1 0.667 82.8 86.4 -63.9 -17.7 -7.5 -4.8 7.8 37 157 A Y S < S- 0 0 89 -3,-2.4 2,-0.1 1,-0.1 -21,-0.0 -0.358 96.6 -87.0 -79.0 164.5 -5.2 -3.5 5.0 38 158 A P - 0 0 63 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.401 26.6-158.0 -70.4 152.7 -1.4 -3.5 5.4 39 159 A D S S+ 0 0 60 -23,-0.1 -25,-0.8 -2,-0.1 2,-0.3 -0.043 71.6 67.0-124.4 37.1 0.2 -0.4 7.0 40 160 A Q - 0 0 67 -27,-0.2 2,-0.2 2,-0.0 -27,-0.1 -0.947 62.7-160.7-144.5 156.8 3.7 -0.9 5.5 41 161 A V - 0 0 0 -2,-0.3 -30,-3.1 -29,-0.2 2,-0.5 -0.768 22.3-108.5-134.1 177.0 5.0 -0.8 1.9 42 162 A Y + 0 0 26 17,-0.3 21,-0.2 -2,-0.2 -32,-0.2 -0.954 40.9 167.7-121.6 124.6 8.1 -2.1 0.0 43 163 A Y - 0 0 63 -2,-0.5 -34,-2.4 19,-0.1 13,-0.0 -0.507 21.5-145.7-128.6-176.1 10.8 0.3 -1.2 44 164 A R - 0 0 35 -2,-0.2 2,-0.8 -36,-0.2 -36,-0.1 -0.955 40.1 -89.5-150.8 152.7 14.4 0.5 -2.6 45 165 A P + 0 0 95 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.618 48.3 170.3 -70.0 104.2 17.4 2.9 -2.3 46 166 A V + 0 0 27 -2,-0.8 3,-0.3 1,-0.1 5,-0.0 0.842 13.5 176.3 -83.8 -40.2 16.6 5.2 -5.2 47 167 A D > + 0 0 83 1,-0.2 3,-3.1 2,-0.1 -1,-0.1 -0.267 54.1 35.9 66.4-161.7 19.2 7.9 -4.4 48 168 A Q T 3 S+ 0 0 173 1,-0.3 -1,-0.2 2,-0.1 3,-0.2 0.225 118.9 45.3 29.6 -81.7 19.7 11.0 -6.7 49 169 A Y T 3 S+ 0 0 176 -3,-0.3 2,-1.4 1,-0.2 -1,-0.3 0.818 78.4 172.2 -49.2 -40.9 16.1 11.6 -7.9 50 170 A S S < S+ 0 0 16 -3,-3.1 -1,-0.2 1,-0.2 2,-0.2 -0.524 71.2 5.8 53.6 -85.3 14.8 11.2 -4.3 51 171 A N S S+ 0 0 37 -2,-1.4 -1,-0.2 -3,-0.2 -3,-0.0 -0.450 93.1 118.6-127.8 45.5 11.1 12.3 -4.7 52 172 A Q S S- 0 0 147 -2,-0.2 -1,-0.1 4,-0.0 -2,-0.0 0.920 85.0 -64.8 -84.4 -91.8 10.6 12.8 -8.5 53 173 A N S >> S+ 0 0 81 3,-0.0 4,-2.2 -3,-0.0 3,-1.2 0.529 126.0 48.3-121.4 -58.3 7.9 10.5 -10.0 54 174 A N H 3>>S+ 0 0 94 1,-0.3 4,-2.2 2,-0.2 5,-0.8 0.774 92.7 80.0 -69.3 -23.7 9.0 6.8 -9.9 55 175 A F H 345S+ 0 0 30 1,-0.2 4,-0.4 3,-0.2 -1,-0.3 0.881 115.3 16.6 -41.9 -49.1 9.9 7.1 -6.2 56 176 A V H <>5S+ 0 0 11 -3,-1.2 4,-3.0 3,-0.1 -2,-0.2 0.900 127.5 53.1 -92.8 -50.0 6.2 6.7 -5.4 57 177 A R H X5S+ 0 0 138 -4,-2.2 4,-2.3 1,-0.2 -3,-0.2 0.865 113.8 42.7 -62.5 -40.0 4.8 5.3 -8.7 58 178 A D H X5S+ 0 0 41 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.900 114.3 52.0 -67.9 -41.2 7.3 2.4 -8.9 59 179 A C H >X S+ 0 0 20 -4,-3.2 4,-2.9 1,-0.2 3,-1.7 0.913 113.4 50.6 -49.2 -51.7 0.4 -3.6 -5.8 65 185 A K H 3X S+ 0 0 107 -4,-2.8 4,-2.7 1,-0.3 5,-0.4 0.904 101.9 58.2 -65.5 -43.1 2.3 -6.4 -7.6 66 186 A Q H 3< S+ 0 0 18 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.583 117.0 38.6 -63.0 -5.3 3.4 -8.2 -4.4 67 187 A H H <> S+ 0 0 66 -3,-1.7 4,-3.3 -4,-0.4 -2,-0.3 0.726 111.3 54.9-109.5 -35.9 -0.4 -8.4 -3.9 68 188 A T H X S+ 0 0 49 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.954 113.6 43.1 -63.1 -46.1 -1.6 -9.1 -7.5 69 189 A V H X S+ 0 0 74 -4,-2.7 4,-2.1 2,-0.2 5,-0.2 0.942 114.0 52.7 -60.6 -47.1 0.7 -12.1 -7.6 70 190 A T H >> S+ 0 0 27 -5,-0.4 4,-2.2 2,-0.2 3,-0.5 0.946 111.9 44.4 -49.7 -55.2 -0.4 -13.0 -4.1 71 191 A T H 3X>S+ 0 0 8 -4,-3.3 4,-2.9 1,-0.3 5,-1.6 0.880 110.6 54.0 -63.5 -38.1 -4.1 -12.8 -5.2 72 192 A T H 3<5S+ 0 0 118 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.823 114.2 43.0 -60.5 -35.7 -3.3 -14.8 -8.4 73 193 A T H <<5S+ 0 0 107 -4,-2.1 -2,-0.2 -3,-0.5 -1,-0.2 0.763 118.9 45.4 -76.2 -33.8 -1.7 -17.5 -6.1 74 194 A K H <5S- 0 0 116 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.982 112.0-110.1 -76.3 -63.6 -4.7 -17.2 -3.6 75 195 A G T <5S+ 0 0 73 -4,-2.9 2,-0.3 1,-0.2 -3,-0.2 0.544 73.4 111.9 129.3 40.5 -7.7 -17.3 -5.9 76 196 A E < - 0 0 101 -5,-1.6 2,-0.3 -6,-0.1 -1,-0.2 -0.855 44.2-153.5-134.7 165.5 -9.1 -13.7 -5.7 77 197 A N - 0 0 137 -2,-0.3 2,-0.2 -5,-0.0 -9,-0.0 -0.947 9.5-141.0-136.0 154.7 -9.6 -10.5 -7.8 78 198 A F - 0 0 66 -2,-0.3 2,-0.3 4,-0.0 3,-0.0 -0.584 21.1-115.4-103.6 175.6 -9.9 -6.7 -7.1 79 199 A T > - 0 0 67 -2,-0.2 4,-2.6 1,-0.1 5,-0.1 -0.727 19.3-122.4-102.8 157.6 -12.1 -4.0 -8.7 80 200 A E H > S+ 0 0 163 -2,-0.3 4,-1.7 2,-0.2 -1,-0.1 0.876 119.1 54.3 -60.7 -37.3 -10.9 -1.0 -10.7 81 201 A T H > S+ 0 0 71 2,-0.2 4,-1.3 1,-0.2 3,-0.2 0.919 109.1 44.6 -66.9 -45.5 -12.9 0.9 -8.1 82 202 A D H >> S+ 0 0 12 1,-0.2 4,-3.2 2,-0.2 3,-0.6 0.965 111.7 55.2 -57.5 -49.6 -10.9 -0.7 -5.2 83 203 A M H 3X S+ 0 0 54 -4,-2.6 4,-2.8 1,-0.3 -2,-0.2 0.769 100.6 58.4 -56.7 -33.1 -7.7 -0.1 -7.2 84 204 A K H 3X S+ 0 0 116 -4,-1.7 4,-1.7 2,-0.2 -1,-0.3 0.938 115.7 35.3 -61.1 -47.9 -8.5 3.6 -7.4 85 205 A I H X S+ 0 0 46 -4,-1.8 4,-2.4 -3,-0.4 3,-0.7 0.958 117.8 47.1 -72.6 -58.4 5.3 9.0 0.4 96 216 A T H 3X S+ 0 0 50 -4,-3.3 4,-1.1 1,-0.3 -2,-0.2 0.831 108.1 55.1 -60.7 -36.5 4.6 8.9 4.2 97 217 A Q H 3X>S+ 0 0 3 -4,-3.3 4,-0.7 -5,-0.2 5,-0.5 0.908 112.8 44.2 -59.2 -42.7 7.1 6.0 4.8 98 218 A Y H <<>S+ 0 0 9 -4,-0.7 5,-2.3 -3,-0.7 4,-0.4 0.879 110.5 55.3 -67.8 -38.9 9.7 8.2 3.1 99 219 A Q H <5S+ 0 0 68 -4,-2.4 -1,-0.2 3,-0.2 -2,-0.2 0.646 94.5 72.0 -71.9 -13.5 8.5 11.3 5.1 100 220 A K H <5S- 0 0 99 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.953 131.2 -27.4 -63.3 -56.2 9.1 9.4 8.4 101 221 A E T >X5S+ 0 0 103 -4,-0.7 4,-1.3 -3,-0.3 3,-1.1 0.539 129.4 71.7-138.1 -31.3 12.9 9.4 8.4 102 222 A S H >>