==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PRION PROTEIN 15-DEC-99 1DWY . COMPND 2 MOLECULE: PRION PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR F.LOPEZ-GARCIA,R.ZAHN,R.RIEK,M.BILLETER,K.WUTHRICH . 104 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7153.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 65 62.5 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 . 2 1.9 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 . 48 46.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.9 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 1 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 1 124 A G > 0 0 94 0, 0.0 3,-2.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -9.5 12.2 -12.3 -2.5 2 125 A L G > + 0 0 48 1,-0.3 3,-1.2 2,-0.2 38,-0.1 0.484 360.0 82.0 -75.9 3.7 10.5 -10.5 0.4 3 126 A G G 3 S+ 0 0 82 1,-0.2 -1,-0.3 3,-0.0 0, 0.0 0.844 91.1 53.1 -62.8 -33.9 13.0 -12.1 2.8 4 127 A G G < S+ 0 0 49 -3,-2.2 -1,-0.2 2,-0.1 -2,-0.2 0.202 112.5 54.2 -86.1 13.0 15.2 -9.2 1.7 5 128 A Y S < S- 0 0 60 -3,-1.2 2,-0.3 36,-0.1 36,-0.2 -0.446 81.5-114.8-123.9-171.3 12.5 -6.6 2.6 6 129 A M E -A 40 0A 79 34,-2.8 34,-3.3 -2,-0.2 2,-0.4 -0.951 18.0-153.5-126.9 156.3 10.3 -5.7 5.6 7 130 A L E -A 39 0A 75 -2,-0.3 2,-0.3 32,-0.2 32,-0.2 -0.995 18.4-128.2-128.7 130.7 6.5 -6.0 5.8 8 131 A G - 0 0 4 30,-2.2 30,-0.2 -2,-0.4 3,-0.1 -0.611 24.3-114.4 -77.4 141.1 4.5 -3.7 8.1 9 132 A S - 0 0 99 -2,-0.3 29,-0.2 1,-0.2 -1,-0.1 -0.274 68.2 -44.8 -63.4 162.4 2.1 -5.2 10.5 10 133 A A S S- 0 0 70 1,-0.1 27,-0.2 27,-0.1 -1,-0.2 0.080 70.2-155.0 -46.9 137.8 -1.6 -4.4 9.9 11 134 A M - 0 0 33 25,-3.0 2,-0.2 -3,-0.1 -1,-0.1 -0.393 20.7 -91.1-106.6 173.2 -2.3 -0.7 9.1 12 135 A S - 0 0 101 -2,-0.1 -1,-0.1 78,-0.1 78,-0.0 -0.540 37.2-130.6 -70.2 153.6 -5.0 1.8 9.2 13 136 A R - 0 0 82 -2,-0.2 2,-0.1 76,-0.0 23,-0.0 -0.974 20.7-143.8 -98.9 125.6 -7.1 2.1 6.1 14 137 A P - 0 0 37 0, 0.0 2,-0.8 0, 0.0 76,-0.0 -0.453 17.9-118.4 -71.0 163.2 -7.5 5.8 5.0 15 138 A L - 0 0 83 -2,-0.1 2,-0.3 71,-0.0 9,-0.0 -0.820 37.7-168.6-106.2 84.1 -10.8 6.9 3.5 16 139 A I - 0 0 12 -2,-0.8 2,-0.2 8,-0.1 11,-0.1 -0.600 11.2-140.2 -80.5 136.0 -9.7 7.9 0.0 17 140 A H + 0 0 150 -2,-0.3 4,-0.1 1,-0.1 -1,-0.0 -0.588 22.5 174.5 -87.2 157.0 -12.2 9.9 -2.1 18 141 A F - 0 0 50 2,-0.2 -1,-0.1 -2,-0.2 3,-0.1 0.584 55.1 -88.1-138.2 -40.5 -12.5 9.1 -5.9 19 142 A G S S+ 0 0 76 1,-0.4 2,-0.3 0, 0.0 3,-0.0 0.230 96.4 67.4 148.8 -13.7 -15.4 11.2 -7.3 20 143 A S > - 0 0 68 1,-0.1 4,-0.8 0, 0.0 -1,-0.4 -0.959 68.8-134.6-122.9 150.7 -18.7 9.2 -7.0 21 144 A D H > S+ 0 0 132 -2,-0.3 4,-1.3 1,-0.2 3,-0.4 0.820 111.5 65.3 -68.5 -26.2 -20.7 8.2 -3.9 22 145 A Y H > S+ 0 0 176 1,-0.2 4,-2.4 2,-0.2 3,-0.2 0.916 99.4 50.7 -53.2 -48.8 -20.9 4.9 -5.7 23 146 A E H > S+ 0 0 36 -3,-0.3 4,-1.9 2,-0.2 5,-0.3 0.699 95.3 70.1 -66.0 -24.0 -17.1 4.7 -5.3 24 147 A D H X S+ 0 0 60 -4,-0.8 4,-3.0 -3,-0.4 3,-0.3 0.974 112.1 31.5 -62.0 -45.0 -17.4 5.4 -1.6 25 148 A R H X>S+ 0 0 165 -4,-1.3 4,-1.7 -3,-0.2 5,-1.0 0.915 111.9 64.1 -70.5 -41.8 -18.9 1.9 -1.3 26 149 A Y H <5S+ 0 0 65 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.757 119.4 27.7 -58.3 -23.3 -16.8 0.6 -4.2 27 150 A Y H <5S+ 0 0 0 -4,-1.9 4,-0.4 -3,-0.3 3,-0.3 0.857 126.2 43.1 -88.6 -63.5 -13.8 1.3 -1.8 28 151 A R H ><5S+ 0 0 120 -4,-3.0 3,-0.9 -5,-0.3 -3,-0.2 0.874 118.7 40.5 -63.5 -47.8 -15.3 1.0 1.7 29 152 A E T 3<5S+ 0 0 151 -4,-1.7 3,-0.4 1,-0.2 -1,-0.3 0.821 119.3 50.1 -63.8 -29.8 -17.4 -2.2 1.2 30 153 A N T > S+ 0 0 64 -2,-0.3 4,-2.6 3,-0.1 5,-0.2 0.724 82.1 62.6-101.8 -28.9 10.4 8.7 -0.5 50 173 A N H > S+ 0 0 123 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.985 114.9 26.9 -65.5 -66.4 9.7 8.8 -4.3 51 174 A N H > S+ 0 0 101 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.728 117.8 64.4 -72.1 -23.7 11.1 5.5 -5.6 52 175 A F H > S+ 0 0 9 2,-0.2 4,-2.1 3,-0.2 -2,-0.2 0.962 111.4 34.6 -58.2 -54.5 10.5 4.1 -2.1 53 176 A V H X S+ 0 0 5 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.967 118.0 52.0 -67.6 -51.9 6.7 4.5 -2.5 54 177 A H H X S+ 0 0 138 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.872 115.4 42.3 -55.6 -39.7 6.7 3.8 -6.3 55 178 A D H X S+ 0 0 56 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.867 111.4 54.5 -77.3 -31.0 8.6 0.5 -5.7 56 179 A a H X S+ 0 0 5 -4,-2.1 4,-2.9 -5,-0.2 -17,-0.3 0.913 111.4 46.6 -60.6 -42.1 6.5 -0.4 -2.6 57 180 A V H X S+ 0 0 16 -4,-2.7 4,-2.7 2,-0.2 5,-0.5 0.949 113.2 49.1 -66.3 -50.2 3.4 0.0 -4.9 58 181 A N H X S+ 0 0 88 -4,-2.3 4,-2.2 -5,-0.2 5,-0.2 0.953 118.0 39.4 -48.4 -61.1 5.1 -2.1 -7.6 59 182 A I H X S+ 0 0 20 -4,-2.9 4,-2.8 2,-0.2 5,-0.2 0.954 122.1 40.5 -57.7 -58.3 6.0 -4.9 -5.2 60 183 A T H X S+ 0 0 2 -4,-2.9 4,-2.9 -21,-0.3 5,-0.2 0.917 117.2 45.4 -65.2 -49.5 2.8 -4.9 -3.1 61 184 A V H X S+ 0 0 12 -4,-2.7 4,-2.3 -5,-0.3 -1,-0.2 0.908 116.6 47.6 -67.0 -38.0 0.2 -4.4 -5.9 62 185 A K H X S+ 0 0 99 -4,-2.2 4,-2.6 -5,-0.5 3,-0.2 0.992 114.8 44.9 -57.8 -62.4 2.0 -7.1 -8.0 63 186 A E H X S+ 0 0 52 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.866 115.4 47.7 -51.6 -45.2 2.2 -9.6 -5.1 64 187 A H H X S+ 0 0 44 -4,-2.9 4,-1.2 -5,-0.2 -1,-0.2 0.888 110.8 51.3 -67.3 -39.5 -1.4 -8.9 -4.0 65 188 A T H >X S+ 0 0 44 -4,-2.3 4,-2.9 -3,-0.2 3,-0.5 0.937 111.2 47.9 -61.2 -46.4 -2.7 -9.3 -7.7 66 189 A V H 3X S+ 0 0 75 -4,-2.6 4,-2.9 1,-0.3 5,-0.3 0.948 109.6 52.5 -58.0 -49.3 -0.8 -12.7 -8.0 67 190 A T H 3< S+ 0 0 75 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.735 113.6 45.8 -59.3 -25.4 -2.3 -13.7 -4.6 68 191 A T H X<>S+ 0 0 18 -4,-1.2 5,-2.1 -3,-0.5 3,-1.3 0.915 113.2 46.4 -77.6 -52.3 -5.8 -12.8 -6.2 69 192 A T H ><5S+ 0 0 84 -4,-2.9 3,-1.8 1,-0.3 -2,-0.2 0.848 105.7 58.7 -71.1 -29.9 -5.3 -14.5 -9.6 70 193 A T T 3<5S+ 0 0 114 -4,-2.9 -1,-0.3 1,-0.3 -3,-0.1 0.690 109.9 46.6 -67.1 -18.5 -3.9 -17.8 -8.0 71 194 A K T < 5S- 0 0 175 -3,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.141 122.9-112.5-103.1 12.9 -7.4 -17.7 -6.2 72 195 A G T < 5S+ 0 0 69 -3,-1.8 2,-0.2 1,-0.2 -3,-0.2 0.822 74.6 131.2 61.2 32.9 -9.1 -17.0 -9.5 73 196 A E < - 0 0 80 -5,-2.1 2,-0.2 -8,-0.2 -1,-0.2 -0.651 38.1-159.9-103.2 169.2 -10.2 -13.5 -8.5 74 197 A N - 0 0 110 -2,-0.2 2,-0.3 -3,-0.1 0, 0.0 -0.818 8.1-134.5-141.5 172.3 -9.7 -10.3 -10.6 75 198 A F - 0 0 31 -2,-0.2 2,-0.1 3,-0.0 -10,-0.0 -0.994 15.2-129.1-139.1 140.2 -9.6 -6.5 -10.1 76 199 A T > - 0 0 55 -2,-0.3 4,-1.8 1,-0.1 5,-0.2 -0.398 34.5-105.3 -78.4 166.2 -11.2 -3.6 -12.1 77 200 A E H > S+ 0 0 151 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.920 126.5 52.7 -62.6 -40.3 -9.1 -0.6 -13.3 78 201 A T H > S+ 0 0 47 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.912 104.7 56.7 -56.8 -41.6 -10.7 1.4 -10.5 79 202 A D H > S+ 0 0 1 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.886 106.3 49.3 -60.2 -40.5 -9.6 -1.4 -8.0 80 203 A I H X S+ 0 0 51 -4,-1.8 4,-3.1 2,-0.2 -1,-0.2 0.915 109.0 53.8 -64.1 -41.6 -6.0 -0.9 -9.2 81 204 A K H X S+ 0 0 99 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.943 113.0 41.8 -58.0 -54.8 -6.4 2.9 -8.7 82 205 A M H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.3 0.977 114.8 51.3 -51.2 -63.0 -7.6 2.4 -5.1 83 206 A M H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.881 110.8 48.5 -40.7 -58.2 -5.0 -0.3 -4.4 84 207 A E H X S+ 0 0 91 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.904 115.8 43.9 -50.7 -49.6 -2.2 2.0 -5.7 85 208 A R H X S+ 0 0 95 -4,-2.2 4,-2.9 -3,-0.2 -2,-0.2 0.909 115.9 44.8 -70.5 -45.3 -3.4 5.0 -3.6 86 209 A V H X S+ 0 0 1 -4,-3.0 4,-3.0 2,-0.2 5,-0.2 0.938 115.1 49.4 -57.3 -50.0 -4.0 3.1 -0.3 87 210 A V H X S+ 0 0 0 -4,-3.0 4,-2.5 -5,-0.3 -2,-0.2 0.929 113.1 46.5 -61.1 -44.0 -0.7 1.3 -0.8 88 211 A E H X S+ 0 0 65 -4,-2.7 4,-3.3 -5,-0.2 5,-0.2 0.946 113.5 49.1 -59.5 -50.7 1.1 4.6 -1.4 89 212 A Q H X S+ 0 0 80 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.888 112.6 47.3 -58.5 -44.4 -0.6 6.2 1.6 90 213 A M H X S+ 0 0 2 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.909 114.9 46.6 -64.0 -42.4 0.3 3.3 3.9 91 214 A a H X S+ 0 0 0 -4,-2.5 4,-2.9 -5,-0.2 5,-0.2 0.948 112.8 49.0 -64.4 -49.6 3.9 3.4 2.6 92 215 A I H X S+ 0 0 27 -4,-3.3 4,-3.1 2,-0.2 5,-0.2 0.930 111.2 52.3 -51.7 -50.3 4.1 7.2 3.0 93 216 A T H X S+ 0 0 49 -4,-2.7 4,-2.7 -5,-0.2 -2,-0.2 0.948 112.7 42.3 -51.4 -60.3 2.7 6.7 6.6 94 217 A Q H X S+ 0 0 20 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.927 117.2 47.2 -56.0 -49.5 5.3 4.1 7.6 95 218 A Y H X S+ 0 0 14 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.874 112.1 49.6 -63.4 -40.6 8.2 6.0 6.0 96 219 A Q H X S+ 0 0 84 -4,-3.1 4,-2.8 -5,-0.2 -1,-0.2 0.923 111.7 50.4 -64.0 -42.0 7.1 9.4 7.5 97 220 A R H X S+ 0 0 147 -4,-2.7 4,-1.7 -5,-0.2 -2,-0.2 0.928 117.5 37.6 -61.1 -49.2 6.9 7.6 11.0 98 221 A E H < S+ 0 0 40 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.838 116.3 53.3 -75.3 -31.9 10.4 6.1 10.7 99 222 A S H >X S+ 0 0 29 -4,-2.7 4,-2.9 -5,-0.2 3,-1.8 0.934 107.9 50.6 -64.8 -47.4 11.8 9.2 9.0 100 223 A Q H 3X S+ 0 0 130 -4,-2.8 4,-1.1 1,-0.3 -2,-0.2 0.926 107.8 53.0 -58.2 -43.0 10.5 11.4 11.8 101 224 A A H 3< S+ 0 0 83 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.495 115.6 41.8 -68.8 -6.0 12.1 9.0 14.3 102 225 A Y H <4 S+ 0 0 182 -3,-1.8 -2,-0.2 -4,-0.1 -1,-0.2 0.710 109.1 56.7-103.4 -38.8 15.4 9.6 12.3 103 226 A Y H < 0 0 209 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.593 360.0 360.0 -67.8 -18.9 15.0 13.4 11.8 104 227 A Q < 0 0 200 -4,-1.1 -1,-0.2 -5,-0.2 -3,-0.1 0.695 360.0 360.0 -66.1 360.0 14.8 13.9 15.6