==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PRION PROTEIN 17-SEP-99 1QLX . COMPND 2 MOLECULE: PRION PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.ZAHN,A.LIU,T.LUHRS,K.WUTHRICH . 104 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7296.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 72 69.2 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 2.9 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 . 4 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 50.0 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 1 0 0 0 0 0 0 0 0 0 1 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 1 125 A L 0 0 103 0, 0.0 2,-0.1 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0-116.0 8.6 -12.3 2.7 2 126 A G + 0 0 68 2,-0.1 2,-0.5 0, 0.0 3,-0.1 0.152 360.0 36.6 79.7 135.5 11.2 -12.6 5.4 3 127 A G S S+ 0 0 71 1,-0.2 2,-0.1 -2,-0.1 0, 0.0 0.034 95.6 105.2 79.7 -26.6 13.2 -9.5 6.2 4 128 A Y - 0 0 35 -2,-0.5 2,-0.2 36,-0.1 -1,-0.2 -0.373 51.0-161.3 -77.1 163.2 10.2 -7.2 5.7 5 129 A M E -A 39 0A 107 34,-3.0 34,-2.0 -2,-0.1 2,-0.4 -0.754 21.0-114.5-129.8 176.8 8.2 -5.4 8.4 6 130 A L E -A 38 0A 62 32,-0.3 32,-0.2 -2,-0.2 3,-0.1 -0.989 31.4-144.6-122.5 122.4 4.7 -3.8 8.5 7 131 A G - 0 0 6 30,-2.8 83,-0.0 -2,-0.4 86,-0.0 -0.106 40.7 -53.0 -79.1 179.5 4.5 -0.0 9.0 8 132 A S - 0 0 77 28,-0.1 29,-0.4 1,-0.1 2,-0.2 -0.205 58.3-112.8 -53.5 136.0 1.9 2.1 10.9 9 133 A A + 0 0 53 27,-0.2 27,-0.3 -3,-0.1 2,-0.2 -0.545 45.7 178.4 -68.3 140.2 -1.7 1.6 9.9 10 134 A M - 0 0 33 25,-2.6 2,-0.3 -2,-0.2 79,-0.1 -0.775 35.7 -60.4-140.4 174.7 -3.2 4.7 8.2 11 135 A S - 0 0 108 -2,-0.2 24,-0.0 1,-0.1 -1,-0.0 -0.470 49.9-119.7 -64.2 124.1 -6.3 6.1 6.6 12 136 A R - 0 0 75 -2,-0.3 2,-0.1 1,-0.1 -1,-0.1 -0.557 43.0-129.3 -60.8 110.7 -7.5 4.1 3.5 13 137 A P - 0 0 28 0, 0.0 2,-1.2 0, 0.0 -1,-0.1 -0.435 1.6-126.4 -75.0 144.3 -7.2 7.0 1.0 14 138 A I - 0 0 66 -2,-0.1 2,-0.3 71,-0.0 9,-0.1 -0.812 30.9-160.9 -78.7 96.6 -10.0 8.0 -1.5 15 139 A I - 0 0 5 -2,-1.2 2,-0.7 8,-0.1 11,-0.1 -0.637 13.8-134.0 -61.2 142.3 -8.0 7.9 -4.7 16 140 A H - 0 0 137 -2,-0.3 4,-0.1 1,-0.1 -2,-0.0 -0.947 24.6-179.9-100.0 111.0 -9.7 9.9 -7.3 17 141 A F - 0 0 62 -2,-0.7 -1,-0.1 2,-0.3 3,-0.1 0.408 52.4-110.9 -85.8 -3.7 -9.8 7.7 -10.5 18 142 A G S S+ 0 0 70 1,-0.1 2,-0.5 -3,-0.0 3,-0.1 0.123 103.6 83.3 86.8 -14.8 -11.6 10.6 -12.2 19 143 A S >> - 0 0 62 1,-0.1 4,-1.8 0, 0.0 3,-1.0 -0.971 69.6-156.0-113.5 114.3 -14.8 8.5 -12.4 20 144 A D H 3> S+ 0 0 123 -2,-0.5 4,-2.3 1,-0.3 5,-0.1 0.707 94.6 68.3 -65.9 -17.9 -16.6 8.8 -9.0 21 145 A Y H 3> S+ 0 0 175 2,-0.2 4,-1.4 3,-0.2 -1,-0.3 0.945 105.2 39.3 -54.8 -52.3 -18.1 5.4 -10.0 22 146 A E H <> S+ 0 0 72 -3,-1.0 4,-2.4 2,-0.2 5,-0.3 0.862 113.2 55.8 -71.2 -35.5 -14.6 3.8 -9.5 23 147 A D H X S+ 0 0 10 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.968 116.0 37.0 -59.0 -56.0 -13.8 6.0 -6.5 24 148 A R H X S+ 0 0 128 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.734 109.1 65.1 -70.5 -24.4 -16.9 4.7 -4.8 25 149 A Y H X S+ 0 0 108 -4,-1.4 4,-1.4 2,-0.2 3,-0.3 0.978 111.5 35.4 -66.3 -51.8 -16.4 1.2 -6.3 26 150 A Y H X S+ 0 0 1 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.939 114.3 62.0 -56.0 -47.3 -13.2 0.8 -4.2 27 151 A R H < S+ 0 0 121 -4,-2.3 -2,-0.2 -5,-0.3 4,-0.2 0.797 102.1 48.3 -58.4 -35.9 -14.9 2.8 -1.4 28 152 A E H >< S+ 0 0 120 -4,-2.2 3,-0.6 -3,-0.3 -1,-0.2 0.953 119.5 39.5 -65.1 -46.0 -17.7 0.2 -0.9 29 153 A N H >X S+ 0 0 64 -4,-1.4 3,-2.1 1,-0.2 4,-0.6 0.530 86.9 105.4 -74.6 -9.4 -15.0 -2.6 -0.8 30 154 A M T 3< + 0 0 41 -4,-1.2 3,-0.4 1,-0.3 -1,-0.2 0.676 64.4 69.8 -60.9 -22.1 -12.6 -0.4 1.2 31 155 A H T <4 S+ 0 0 138 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.913 104.0 44.1 -55.7 -40.0 -13.2 -2.4 4.5 32 156 A R T <4 S+ 0 0 131 -3,-2.1 -1,-0.2 2,-0.0 -2,-0.2 0.644 94.9 103.1 -80.4 -15.6 -11.4 -5.3 2.9 33 157 A Y S < S- 0 0 13 -4,-0.6 -21,-0.1 -3,-0.4 49,-0.0 -0.201 87.9 -82.7 -65.9 160.8 -8.5 -3.1 1.5 34 158 A P - 0 0 10 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.296 33.2-165.4 -63.6 146.3 -5.1 -3.0 3.2 35 159 A N S S+ 0 0 65 1,-0.2 -25,-2.6 -3,-0.1 2,-0.3 0.478 72.8 25.9-108.7 -14.7 -4.8 -0.7 6.2 36 160 A Q S S- 0 0 72 -27,-0.3 2,-0.4 23,-0.0 -27,-0.2 -0.939 76.7-122.8-147.4 161.1 -1.0 -0.6 6.5 37 161 A V - 0 0 0 -29,-0.4 -30,-2.8 -2,-0.3 2,-0.3 -0.896 21.6-119.4-115.4 141.8 2.0 -1.1 4.1 38 162 A Y E +A 6 0A 71 17,-0.4 -32,-0.3 -2,-0.4 21,-0.2 -0.658 48.5 157.6 -77.1 135.5 4.8 -3.7 4.3 39 163 A Y E -A 5 0A 34 -34,-2.0 -34,-3.0 -2,-0.3 13,-0.0 -0.809 33.5-124.5-144.6 178.7 8.2 -1.8 4.5 40 164 A R - 0 0 68 -2,-0.2 -36,-0.1 -36,-0.2 6,-0.1 -0.979 32.3 -99.2-135.4 152.2 11.9 -2.2 5.7 41 165 A P - 0 0 76 0, 0.0 2,-1.8 0, 0.0 5,-0.2 -0.054 48.8 -86.0 -66.2 166.4 14.1 -0.1 8.1 42 166 A M S S+ 0 0 49 1,-0.2 0, 0.0 3,-0.1 0, 0.0 -0.556 70.8 142.0 -81.5 79.8 16.6 2.5 6.9 43 167 A D S S- 0 0 96 -2,-1.8 -1,-0.2 3,-0.0 0, 0.0 0.966 79.6 -56.6 -70.8 -79.5 19.7 0.2 6.4 44 168 A E S S+ 0 0 170 2,-0.0 -2,-0.1 0, 0.0 0, 0.0 0.432 122.4 68.4-144.8 -36.0 21.5 1.5 3.2 45 169 A Y + 0 0 102 1,-0.2 2,-0.1 2,-0.0 -3,-0.1 0.846 51.0 147.0 -77.5 -45.7 18.9 1.5 0.4 46 170 A S + 0 0 53 -5,-0.2 -1,-0.2 1,-0.1 -6,-0.1 -0.212 19.9 157.8 33.9 -97.4 16.4 4.2 1.2 47 171 A N - 0 0 73 -2,-0.1 -1,-0.1 4,-0.1 -2,-0.0 0.465 37.6-131.3 64.0 151.8 15.3 5.6 -2.2 48 172 A Q S >> S+ 0 0 105 3,-0.1 3,-1.7 4,-0.0 4,-1.4 0.646 88.4 20.0 -87.5-100.0 12.1 7.4 -2.9 49 173 A N H 3> S+ 0 0 107 1,-0.3 4,-2.5 2,-0.2 5,-0.1 0.731 124.9 46.9 -55.0 -45.5 10.1 6.1 -5.9 50 174 A N H 3> S+ 0 0 85 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.792 109.5 55.2 -69.1 -27.4 11.6 2.6 -6.4 51 175 A F H <> S+ 0 0 16 -3,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.924 110.5 45.7 -69.6 -42.3 11.3 1.8 -2.7 52 176 A V H X S+ 0 0 9 -4,-1.4 4,-2.9 2,-0.2 5,-0.2 0.927 108.8 56.4 -60.2 -44.8 7.5 2.7 -2.9 53 177 A H H X S+ 0 0 120 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.850 112.3 42.5 -61.0 -31.2 7.4 0.6 -6.1 54 178 A D H X S+ 0 0 52 -4,-1.6 4,-3.0 2,-0.2 5,-0.2 0.935 112.4 51.9 -72.3 -49.7 8.7 -2.4 -4.0 55 179 A a H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -17,-0.4 0.860 112.3 48.2 -58.6 -38.2 6.5 -1.7 -1.0 56 180 A V H X S+ 0 0 10 -4,-2.9 4,-2.7 2,-0.2 5,-0.3 0.976 112.2 47.1 -60.0 -59.8 3.5 -1.7 -3.3 57 181 A N H X S+ 0 0 82 -4,-1.7 4,-2.7 -5,-0.2 -2,-0.2 0.898 114.9 47.0 -59.1 -45.4 4.5 -4.9 -5.1 58 182 A I H X S+ 0 0 24 -4,-3.0 4,-3.2 2,-0.2 5,-0.3 0.936 112.8 47.4 -54.3 -56.9 5.1 -6.7 -1.8 59 183 A T H X S+ 0 0 2 -4,-2.4 4,-1.5 -21,-0.2 -2,-0.2 0.937 115.8 45.1 -62.2 -43.7 1.9 -5.5 -0.1 60 184 A I H X S+ 0 0 11 -4,-2.7 4,-3.1 2,-0.2 -1,-0.2 0.918 114.3 50.1 -59.4 -46.4 -0.2 -6.5 -3.1 61 185 A K H X S+ 0 0 130 -4,-2.7 4,-1.1 -5,-0.3 -2,-0.2 0.967 109.0 50.4 -56.9 -54.6 1.7 -9.8 -3.4 62 186 A Q H X>S+ 0 0 43 -4,-3.2 4,-1.2 2,-0.2 5,-0.6 0.757 113.1 47.5 -61.7 -24.4 1.1 -10.6 0.3 63 187 A H H X>S+ 0 0 31 -4,-1.5 4,-2.0 -5,-0.3 5,-1.8 0.970 110.1 51.8 -65.8 -59.0 -2.6 -9.8 -0.4 64 188 A T H <5S+ 0 0 56 -4,-3.1 -2,-0.2 3,-0.2 -3,-0.2 0.496 125.2 28.5 -58.9 -7.5 -2.5 -12.1 -3.5 65 189 A V H X5S+ 0 0 74 -4,-1.1 4,-3.3 -5,-0.2 5,-0.2 0.665 126.7 35.0-110.3 -73.1 -1.0 -14.9 -1.3 66 190 A T H <5S+ 0 0 79 -4,-1.2 4,-0.2 1,-0.2 -3,-0.2 0.800 130.4 32.8 -64.8 -34.7 -2.1 -14.6 2.3 67 191 A T T >4 - 0 0 96 -2,-0.0 4,-2.1 1,-0.0 5,-0.2 -0.789 33.8 -96.5-124.7 167.5 -8.7 -9.4 -10.4 76 200 A E H > S+ 0 0 129 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.918 122.9 48.4 -58.0 -49.1 -6.3 -7.0 -12.3 77 201 A T H > S+ 0 0 72 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.885 112.0 50.9 -60.6 -36.9 -8.4 -3.8 -11.8 78 202 A D H > S+ 0 0 35 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.863 109.7 50.5 -67.0 -35.7 -8.7 -4.6 -8.1 79 203 A V H X S+ 0 0 29 -4,-2.1 4,-3.2 2,-0.2 -2,-0.2 0.965 110.0 49.3 -67.3 -50.8 -5.0 -5.1 -7.8 80 204 A K H X S+ 0 0 101 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.883 110.2 51.0 -54.4 -44.2 -4.4 -1.7 -9.6 81 205 A M H X S+ 0 0 6 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.906 113.1 46.0 -62.3 -41.9 -6.9 -0.0 -7.2 82 206 A M H X S+ 0 0 1 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.935 107.1 58.2 -59.9 -48.8 -4.9 -1.6 -4.2 83 207 A E H X S+ 0 0 64 -4,-3.2 4,-2.9 1,-0.2 -2,-0.2 0.909 108.0 47.9 -50.5 -46.8 -1.6 -0.6 -5.8 84 208 A R H X S+ 0 0 98 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.918 113.5 45.5 -57.5 -53.6 -2.8 3.0 -5.7 85 209 A V H X S+ 0 0 1 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.910 115.7 46.5 -58.0 -46.1 -4.0 2.8 -2.0 86 210 A V H X S+ 0 0 0 -4,-3.1 4,-2.4 2,-0.2 -2,-0.2 0.927 112.8 50.3 -64.8 -45.2 -0.8 1.1 -0.9 87 211 A E H X S+ 0 0 49 -4,-2.9 4,-2.9 -5,-0.3 5,-0.2 0.946 109.6 51.3 -54.8 -54.6 1.4 3.7 -2.9 88 212 A Q H X S+ 0 0 68 -4,-2.6 4,-1.4 1,-0.3 -2,-0.2 0.908 114.5 42.2 -52.5 -50.8 -0.5 6.6 -1.3 89 213 A M H X S+ 0 0 4 -4,-2.2 4,-2.6 1,-0.2 -1,-0.3 0.876 114.6 52.4 -62.6 -38.9 0.0 5.2 2.3 90 214 A a H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.893 102.5 55.9 -74.0 -38.1 3.7 4.2 1.5 91 215 A I H X S+ 0 0 73 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.948 113.1 46.1 -50.2 -49.6 4.6 7.7 0.2 92 216 A T H X S+ 0 0 57 -4,-1.4 4,-2.5 -5,-0.2 -2,-0.2 0.944 111.6 48.1 -61.7 -53.7 3.4 8.9 3.6 93 217 A Q H X S+ 0 0 9 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.877 112.9 49.4 -61.0 -38.1 5.2 6.2 5.7 94 218 A Y H X S+ 0 0 38 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.979 111.6 48.0 -60.6 -56.2 8.5 6.9 3.8 95 219 A E H X S+ 0 0 111 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.853 112.7 50.6 -51.3 -41.6 8.2 10.6 4.4 96 220 A R H >X S+ 0 0 140 -4,-2.5 4,-0.9 2,-0.2 3,-0.9 0.948 110.5 46.6 -64.5 -49.6 7.4 9.9 8.1 97 221 A E H >X S+ 0 0 67 -4,-2.7 4,-2.0 1,-0.2 3,-0.8 0.908 105.6 61.7 -61.7 -37.6 10.5 7.6 8.5 98 222 A S H 3X S+ 0 0 30 -4,-2.9 4,-1.8 1,-0.3 -1,-0.2 0.796 96.0 60.6 -58.6 -27.8 12.6 10.3 6.7 99 223 A Q H < S+ 0 0 158 -4,-2.0 3,-1.0 1,-0.2 -2,-0.2 0.949 104.4 48.4 -56.4 -45.2 16.3 9.8 9.6 102 226 A Y H 3< S+ 0 0 216 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.865 103.7 61.4 -61.8 -33.3 17.0 13.5 10.2 103 227 A Q H 3< 0 0 161 -4,-0.9 -1,-0.2 1,-0.3 -2,-0.2 0.742 360.0 360.0 -70.2 -16.4 16.7 12.9 14.0 104 228 A R << 0 0 241 -4,-1.0 -1,-0.3 -3,-1.0 -2,-0.2 0.625 360.0 360.0 -71.7 360.0 19.7 10.5 13.8