==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 20-SEP-99 1QM1 . 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) . 7480.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 68 65.4 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 . 1 1.0 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 . 3 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 45.2 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 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 1 125 A L > 0 0 116 0, 0.0 3,-2.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -50.7 8.4 -9.5 6.4 2 126 A G T 3 + 0 0 73 1,-0.3 4,-0.0 3,-0.0 0, 0.0 0.353 360.0 70.4 -73.1 3.4 10.9 -7.4 8.3 3 127 A G T 3 S+ 0 0 61 37,-0.0 -1,-0.3 2,-0.0 2,-0.2 0.711 102.0 54.3 -80.0 -27.8 12.8 -6.4 5.1 4 128 A Y S < S- 0 0 81 -3,-2.0 2,-0.3 36,-0.1 36,-0.2 -0.474 85.3-142.2 -85.0 170.8 9.6 -4.4 4.4 5 129 A M E -A 39 0A 89 34,-1.6 34,-2.3 -2,-0.2 2,-0.4 -0.990 4.7-142.4-134.8 144.9 8.2 -1.8 6.9 6 130 A L E -A 38 0A 66 -2,-0.3 32,-0.2 32,-0.2 2,-0.1 -0.832 27.0-170.8 -95.2 143.2 4.7 -0.9 8.0 7 131 A G - 0 0 19 30,-1.0 -1,-0.1 -2,-0.4 86,-0.0 -0.104 35.5 -34.6-113.1-152.1 4.2 2.9 8.6 8 132 A S - 0 0 43 85,-0.1 29,-0.4 1,-0.1 -1,-0.3 -0.132 57.4-123.4 -68.6 167.4 1.5 5.1 10.1 9 133 A A + 0 0 43 27,-0.1 2,-0.2 84,-0.0 27,-0.1 -0.521 24.9 177.4-106.8 177.2 -2.3 4.5 9.8 10 134 A M - 0 0 45 25,-0.7 2,-0.2 -2,-0.2 79,-0.0 -0.852 39.0 -78.1-159.5 180.0 -5.2 6.6 8.4 11 135 A S - 0 0 115 -2,-0.2 24,-0.0 1,-0.1 0, 0.0 -0.608 61.1 -84.8 -89.9 161.6 -9.0 6.2 7.9 12 136 A R - 0 0 88 -2,-0.2 -1,-0.1 1,-0.1 23,-0.1 -0.469 45.5-133.1 -70.0 134.8 -10.3 4.2 4.8 13 137 A P - 0 0 19 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.028 11.8-121.6 -76.2-160.9 -10.6 6.2 1.6 14 138 A I + 0 0 82 71,-0.1 2,-0.4 2,-0.0 9,-0.0 -0.963 31.2 175.6-155.5 107.0 -13.6 6.3 -0.9 15 139 A I - 0 0 32 -2,-0.3 2,-0.2 8,-0.1 70,-0.1 -0.946 25.6-133.8-139.5 112.2 -13.1 5.3 -4.6 16 140 A H - 0 0 143 -2,-0.4 4,-0.1 1,-0.1 -2,-0.0 -0.430 11.5-163.5 -70.9 128.2 -15.8 5.0 -7.4 17 141 A F - 0 0 38 2,-0.7 -1,-0.1 -2,-0.2 3,-0.1 0.566 47.8-101.3 -90.2 -10.9 -15.5 1.7 -9.4 18 142 A G S S+ 0 0 81 1,-0.3 2,-0.6 0, 0.0 -2,-0.1 -0.238 107.3 87.0 103.3 -37.2 -17.6 2.7 -12.5 19 143 A S S > S- 0 0 40 1,-0.1 4,-1.8 2,-0.0 -2,-0.7 -0.858 73.3-149.3 -88.4 126.3 -20.5 0.6 -11.0 20 144 A D T 4 S+ 0 0 138 -2,-0.6 4,-0.4 1,-0.2 -1,-0.1 0.511 103.1 46.6 -67.0 -8.4 -22.5 2.8 -8.6 21 145 A Y T > S+ 0 0 152 2,-0.1 4,-2.4 3,-0.1 -1,-0.2 0.757 103.8 57.4-100.2 -40.7 -23.1 -0.6 -6.8 22 146 A E H > S+ 0 0 61 2,-0.2 4,-1.5 1,-0.2 5,-0.2 0.886 105.4 54.4 -59.9 -34.6 -19.5 -1.9 -6.8 23 147 A D H X S+ 0 0 15 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.965 112.7 41.6 -59.1 -50.3 -18.6 1.4 -5.0 24 148 A R H > S+ 0 0 155 -4,-0.4 4,-3.0 1,-0.2 -2,-0.2 0.832 104.7 70.6 -63.7 -31.3 -21.2 0.5 -2.3 25 149 A Y H < S+ 0 0 99 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.932 104.5 36.0 -57.0 -56.9 -20.1 -3.1 -2.4 26 150 A Y H >< S+ 0 0 3 -4,-1.5 3,-1.6 1,-0.2 4,-0.5 0.841 114.5 59.6 -65.2 -35.2 -16.8 -2.6 -0.6 27 151 A R H >< S+ 0 0 89 -4,-1.4 3,-1.9 1,-0.3 4,-0.3 0.946 101.7 53.2 -51.2 -50.0 -18.5 0.1 1.5 28 152 A E T 3< S+ 0 0 165 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.313 118.5 36.8 -77.2 8.3 -20.9 -2.6 2.8 29 153 A N T X S+ 0 0 55 -3,-1.6 3,-1.5 -5,-0.2 -1,-0.3 0.283 85.5 106.4-121.3 -4.9 -17.7 -4.7 3.7 30 154 A M T < + 0 0 39 -3,-1.9 -2,-0.1 -4,-0.5 -3,-0.1 0.565 46.0 94.9 -78.9 -8.2 -15.5 -1.8 4.9 31 155 A H T 3 S+ 0 0 165 -4,-0.3 -1,-0.3 0, 0.0 -3,-0.1 0.814 109.0 11.9 -37.1 -40.8 -15.8 -2.6 8.6 32 156 A R S < S+ 0 0 182 -3,-1.5 -2,-0.1 3,-0.0 -3,-0.0 0.580 85.9 123.4-102.8-103.4 -12.5 -4.5 8.0 33 157 A Y S S- 0 0 10 -4,-0.2 2,-0.1 30,-0.1 -21,-0.0 0.147 79.4 -45.7 52.9 175.4 -10.6 -4.1 4.7 34 158 A P + 0 0 2 0, 0.0 3,-0.1 0, 0.0 26,-0.0 -0.461 52.9 171.3 -63.3 150.9 -6.9 -3.0 4.7 35 159 A N + 0 0 74 1,-0.3 -25,-0.7 -2,-0.1 2,-0.3 0.279 65.1 42.7-140.7 3.7 -6.0 -0.1 7.1 36 160 A Q - 0 0 63 -27,-0.1 -1,-0.3 23,-0.0 2,-0.3 -0.975 69.4-149.3-150.6 150.7 -2.2 -0.1 6.9 37 161 A V - 0 0 0 -29,-0.4 -30,-1.0 -2,-0.3 2,-0.4 -0.901 9.4-129.3-134.2 149.1 0.2 -0.5 3.9 38 162 A Y E +A 6 0A 63 17,-0.6 21,-0.3 -2,-0.3 -32,-0.2 -0.857 36.9 140.4-114.8 131.8 3.7 -1.9 3.4 39 163 A Y E -A 5 0A 18 -34,-2.3 -34,-1.6 -2,-0.4 13,-0.0 -0.363 40.9-109.2-141.8-158.6 6.7 -0.3 1.7 40 164 A R - 0 0 58 -36,-0.2 -36,-0.1 -2,-0.1 3,-0.1 -0.921 48.3 -74.2-141.8 163.3 10.5 0.1 2.1 41 165 A P - 0 0 91 0, 0.0 2,-0.1 0, 0.0 56,-0.0 -0.264 58.1 -93.6 -61.8 147.0 12.6 3.2 3.1 42 166 A M S S+ 0 0 60 1,-0.2 4,-0.1 55,-0.1 -3,-0.0 -0.427 76.6 122.1 -60.9 129.9 13.1 5.9 0.5 43 167 A D S S- 0 0 153 2,-0.3 -1,-0.2 -2,-0.1 3,-0.0 0.201 84.9 -15.0-160.9 -67.9 16.3 5.2 -1.4 44 168 A E S S+ 0 0 164 0, 0.0 -2,-0.1 0, 0.0 2,-0.0 0.727 101.1 97.0-124.7 -47.7 15.9 4.8 -5.2 45 169 A Y + 0 0 128 1,-0.1 -2,-0.3 6,-0.0 6,-0.0 -0.261 39.0 156.4 -49.3 123.0 12.1 4.3 -6.0 46 170 A S + 0 0 91 -4,-0.1 -1,-0.1 -3,-0.0 -4,-0.0 0.381 26.2 115.2-130.6 -8.0 10.8 7.8 -7.0 47 171 A N - 0 0 87 1,-0.1 5,-0.1 2,-0.0 4,-0.1 -0.148 58.4-132.6 -70.6 168.9 7.7 7.4 -9.2 48 172 A Q S >> S+ 0 0 133 3,-0.1 3,-1.8 2,-0.1 4,-1.4 0.739 99.6 8.0 -76.4-102.0 4.0 8.4 -8.5 49 173 A N H 3> S+ 0 0 86 1,-0.3 4,-1.4 2,-0.2 -2,-0.0 0.749 127.9 62.5 -55.4 -33.4 1.8 5.3 -9.4 50 174 A N H 3> S+ 0 0 90 2,-0.2 4,-0.8 1,-0.2 -1,-0.3 0.829 102.8 47.6 -67.3 -34.5 4.9 3.1 -9.8 51 175 A F H <> S+ 0 0 14 -3,-1.8 4,-1.5 1,-0.2 3,-0.4 0.948 115.2 48.2 -63.7 -47.3 6.0 3.5 -6.1 52 176 A V H X S+ 0 0 2 -4,-1.4 4,-3.3 1,-0.2 -2,-0.2 0.767 97.7 73.4 -58.2 -30.2 2.4 2.7 -5.2 53 177 A H H X S+ 0 0 99 -4,-1.4 4,-2.7 2,-0.2 -1,-0.2 0.920 106.5 29.8 -64.7 -49.4 2.3 -0.3 -7.5 54 178 A D H X S+ 0 0 47 -4,-0.8 4,-3.0 -3,-0.4 5,-0.4 0.905 117.8 58.8 -71.2 -43.6 4.4 -2.7 -5.4 55 179 A a H X S+ 0 0 2 -4,-1.5 4,-1.8 1,-0.2 -17,-0.6 0.925 112.9 40.4 -47.4 -52.6 3.3 -1.0 -2.1 56 180 A V H X S+ 0 0 5 -4,-3.3 4,-3.3 2,-0.2 3,-0.2 0.983 114.2 52.1 -57.8 -62.5 -0.3 -1.9 -3.1 57 181 A N H X S+ 0 0 68 -4,-2.7 4,-3.0 1,-0.3 -2,-0.2 0.850 113.8 41.9 -52.2 -46.1 0.6 -5.4 -4.4 58 182 A I H X S+ 0 0 33 -4,-3.0 4,-2.6 2,-0.2 -1,-0.3 0.868 117.3 47.3 -72.6 -38.3 2.5 -6.6 -1.3 59 183 A T H X S+ 0 0 3 -4,-1.8 4,-2.2 -5,-0.4 -2,-0.2 0.958 113.9 48.3 -61.5 -50.7 -0.1 -5.0 1.1 60 184 A I H X S+ 0 0 10 -4,-3.3 4,-2.0 2,-0.2 3,-0.3 0.952 112.3 50.3 -55.5 -55.2 -2.9 -6.6 -1.0 61 185 A K H >X S+ 0 0 119 -4,-3.0 4,-2.7 1,-0.2 3,-0.9 0.925 110.9 46.6 -43.7 -65.1 -1.1 -10.0 -0.9 62 186 A Q H 3X S+ 0 0 79 -4,-2.6 4,-0.8 1,-0.3 -1,-0.2 0.822 115.0 48.1 -57.3 -31.4 -0.6 -9.9 2.9 63 187 A H H 3< S+ 0 0 65 -4,-2.2 4,-0.4 -3,-0.3 -1,-0.3 0.746 118.5 40.5 -81.9 -21.7 -4.3 -8.9 3.4 64 188 A T H 4>S+ 0 0 31 -4,-0.4 5,-2.1 -3,-0.2 3,-1.4 0.885 107.5 52.9 -58.6 -43.9 -7.8 -14.3 4.9 68 192 A T H ><5S+ 0 0 59 -4,-2.7 3,-2.4 1,-0.3 -2,-0.2 0.957 107.1 52.4 -55.6 -50.5 -7.8 -17.1 2.3 69 193 A T T 3<5S+ 0 0 115 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.447 102.9 59.2 -71.5 1.1 -6.3 -19.4 5.0 70 194 A K T < 5S- 0 0 173 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.311 128.3 -97.8-102.3 5.9 -9.2 -18.5 7.3 71 195 A G T < 5S+ 0 0 58 -3,-2.4 2,-0.8 1,-0.2 -3,-0.2 0.406 84.9 127.8 99.6 4.1 -11.7 -19.8 4.6 72 196 A E < - 0 0 109 -5,-2.1 2,-1.2 -8,-0.1 -1,-0.2 -0.834 42.9-160.2-105.6 104.9 -12.6 -16.4 2.9 73 197 A N - 0 0 120 -2,-0.8 2,-0.4 -3,-0.1 5,-0.1 -0.738 3.8-160.6 -85.1 93.2 -12.1 -16.5 -0.8 74 198 A F - 0 0 46 -2,-1.2 -6,-0.0 -10,-0.1 2,-0.0 -0.644 20.6-138.5 -62.3 123.1 -11.8 -12.9 -2.0 75 199 A T > - 0 0 80 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.176 31.7 -87.7 -71.3 179.1 -12.7 -13.0 -5.7 76 200 A E H > S+ 0 0 167 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.958 133.3 50.7 -49.2 -53.1 -10.8 -11.1 -8.5 77 201 A T H > S+ 0 0 48 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.902 107.6 51.2 -57.0 -44.9 -13.3 -8.2 -7.8 78 202 A D H > S+ 0 0 21 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.942 115.4 42.9 -58.6 -45.5 -12.6 -8.3 -4.0 79 203 A V H X S+ 0 0 41 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.949 114.0 49.4 -66.0 -49.6 -8.9 -8.1 -4.6 80 204 A K H X S+ 0 0 75 -4,-3.3 4,-1.2 2,-0.2 -1,-0.2 0.830 108.8 55.8 -59.5 -34.2 -9.1 -5.4 -7.4 81 205 A M H >X S+ 0 0 1 -4,-2.5 4,-1.6 -5,-0.3 3,-0.7 0.971 107.4 47.0 -60.1 -53.9 -11.4 -3.4 -5.0 82 206 A M H 3X S+ 0 0 0 -4,-2.0 4,-3.0 1,-0.2 5,-0.3 0.890 102.9 64.8 -54.1 -42.3 -8.7 -3.5 -2.3 83 207 A E H 3X S+ 0 0 56 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.880 104.8 45.0 -57.1 -37.0 -6.0 -2.4 -4.9 84 208 A R H X S+ 0 0 19 -4,-2.3 4,-1.4 -5,-0.2 3,-1.3 0.979 113.2 42.1 -61.9 -58.2 4.2 7.5 0.5 95 219 A E H 3X S+ 0 0 83 -4,-3.0 4,-2.6 1,-0.3 3,-0.4 0.880 105.0 63.5 -61.6 -44.5 3.9 11.3 0.9 96 220 A R H 3X S+ 0 0 112 -4,-2.6 4,-0.7 1,-0.2 -1,-0.3 0.771 110.7 41.1 -46.0 -31.6 3.9 11.2 4.7 97 221 A E H < S+ 0 0 150 -4,-1.2 3,-1.5 -3,-0.5 -2,-0.2 0.939 110.1 47.1 -67.5 -49.0 12.9 13.2 3.8 102 226 A Y H 3< S+ 0 0 203 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.869 102.2 67.0 -58.9 -35.9 12.5 17.0 3.1 103 227 A Q T 3< 0 0 162 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.631 360.0 360.0 -65.0 -17.0 12.6 17.6 7.0 104 228 A R < 0 0 240 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.755 360.0 360.0 -66.9 360.0 16.3 16.5 7.1