==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 29-FEB-08 2K1D . COMPND 2 MOLECULE: MAJOR PRION PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.L.MILLS,K.SUREWICZ,W.K.SUREWICZ,F.D.SONNICHSEN . 107 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9257.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 67 62.6 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 . 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 . 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 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 43.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.9 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 1 0 0 0 0 0 0 1 0 0 0 0 0 1 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 1 125 A L 0 0 224 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 137.7 2.1 0.0 -1.2 2 126 A G - 0 0 71 2,-0.1 3,-0.1 0, 0.0 0, 0.0 0.888 360.0-122.6 -95.7 -73.9 5.6 1.3 -1.6 3 127 A G + 0 0 28 1,-0.3 2,-0.8 37,-0.1 36,-0.5 0.091 67.2 120.4 150.9 -27.2 6.5 2.0 -5.2 4 128 A Y - 0 0 149 34,-0.1 2,-0.3 1,-0.0 -1,-0.3 -0.552 49.9-155.4 -70.8 107.8 9.6 -0.0 -6.0 5 129 A V - 0 0 39 -2,-0.8 2,-0.3 34,-0.1 32,-0.2 -0.630 11.8-172.3 -87.1 142.8 8.5 -2.3 -8.9 6 130 A L + 0 0 119 -2,-0.3 3,-0.1 30,-0.1 30,-0.1 -0.982 22.9 162.5-136.2 147.2 10.3 -5.6 -9.5 7 131 A G - 0 0 40 1,-0.4 -1,-0.1 -2,-0.3 -2,-0.0 -0.013 54.0-102.8-154.7 38.2 10.2 -8.2 -12.2 8 132 A S - 0 0 90 2,-0.0 -1,-0.4 27,-0.0 0, 0.0 0.024 60.1 -48.1 62.9-177.4 13.3 -10.4 -12.0 9 133 A A - 0 0 54 1,-0.1 2,-0.3 -3,-0.1 26,-0.1 0.065 60.5-107.7 -74.1-169.8 16.3 -10.0 -14.3 10 134 A M - 0 0 36 26,-0.0 2,-0.2 0, 0.0 -1,-0.1 -0.942 19.9-127.3-127.3 148.8 16.2 -9.8 -18.1 11 135 A S S S+ 0 0 109 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.634 82.8 28.1 -94.0 152.0 17.2 -12.2 -20.8 12 136 A R - 0 0 169 -2,-0.2 -1,-0.2 1,-0.1 0, 0.0 1.000 60.2-172.6 63.2 73.5 19.6 -11.4 -23.7 13 137 A P + 0 0 51 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 0.663 54.0 109.1 -69.7 -16.4 21.8 -8.7 -22.2 14 138 A I - 0 0 109 1,-0.0 2,-0.3 0, 0.0 -3,-0.0 -0.497 54.5-172.2 -67.1 100.0 23.4 -8.1 -25.6 15 139 A I - 0 0 10 -2,-1.0 70,-0.1 1,-0.1 15,-0.0 -0.686 27.4-100.1 -96.9 149.8 22.0 -4.7 -26.5 16 140 A H + 0 0 122 -2,-0.3 -1,-0.1 1,-0.1 68,-0.0 -0.299 45.8 159.7 -65.4 149.2 22.4 -3.1 -29.9 17 141 A F - 0 0 16 67,-0.0 -1,-0.1 -2,-0.0 3,-0.1 0.482 26.0-157.8-132.3 -74.4 25.1 -0.4 -30.3 18 142 A G + 0 0 78 1,-0.1 2,-0.8 2,-0.0 3,-0.1 0.138 64.3 100.4 106.0 -19.1 26.3 0.4 -33.8 19 143 A S > - 0 0 35 1,-0.2 4,-2.5 2,-0.0 3,-0.4 -0.845 51.2-168.7-105.7 99.9 29.7 1.8 -32.7 20 144 A D H > S+ 0 0 118 -2,-0.8 4,-0.7 1,-0.2 -1,-0.2 0.821 91.5 54.8 -53.3 -32.5 32.4 -0.7 -33.1 21 145 A Y H >> S+ 0 0 186 1,-0.2 3,-0.6 2,-0.2 4,-0.6 0.909 110.2 43.3 -68.9 -43.4 34.6 1.6 -31.1 22 146 A E H >> S+ 0 0 67 -3,-0.4 4,-2.8 1,-0.2 3,-0.5 0.805 99.0 73.9 -72.0 -29.9 32.2 1.8 -28.2 23 147 A D H 3X S+ 0 0 63 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.832 89.0 62.3 -52.0 -34.3 31.7 -2.0 -28.4 24 148 A R H << S+ 0 0 187 -4,-0.7 3,-0.5 -3,-0.6 4,-0.3 0.943 112.1 33.6 -57.9 -51.0 35.1 -2.4 -26.9 25 149 A Y H XX S+ 0 0 132 -4,-0.6 4,-1.6 -3,-0.5 3,-1.6 0.813 108.1 68.9 -75.0 -31.4 34.1 -0.6 -23.6 26 150 A Y H 3X S+ 0 0 13 -4,-2.8 4,-3.0 1,-0.3 -1,-0.2 0.773 88.1 67.9 -58.0 -25.9 30.6 -2.0 -23.8 27 151 A R H 3< S+ 0 0 185 -4,-1.1 4,-0.3 -3,-0.5 -1,-0.3 0.830 107.3 37.3 -63.6 -32.5 32.1 -5.4 -23.1 28 152 A E H <4 S+ 0 0 142 -3,-1.6 4,-0.3 -4,-0.3 -1,-0.2 0.726 117.5 51.2 -90.1 -26.0 33.0 -4.2 -19.6 29 153 A N H >< S+ 0 0 25 -4,-1.6 3,-1.6 1,-0.2 4,-0.3 0.853 98.2 64.7 -78.7 -37.1 29.8 -2.2 -19.2 30 154 A M G >< S+ 0 0 44 -4,-3.0 3,-0.7 1,-0.3 -1,-0.2 0.805 97.6 58.1 -55.6 -30.0 27.5 -5.1 -20.2 31 155 A H G 3 S+ 0 0 117 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.756 114.6 35.9 -72.0 -24.9 28.8 -6.8 -17.0 32 156 A R G < S+ 0 0 167 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.187 89.3 144.2-111.5 13.3 27.5 -3.9 -14.9 33 157 A Y < - 0 0 53 -3,-0.7 2,-0.3 -4,-0.3 -3,-0.1 -0.058 62.2 -87.3 -51.6 154.1 24.4 -3.3 -17.0 34 158 A P + 0 0 2 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.491 42.4 176.2 -69.8 127.6 21.3 -2.2 -15.2 35 159 A N + 0 0 49 -2,-0.3 2,-0.3 -3,-0.1 -2,-0.1 -0.049 60.1 66.0-121.4 29.6 19.1 -5.1 -14.0 36 160 A Q - 0 0 52 -30,-0.1 2,-0.4 2,-0.0 -30,-0.1 -0.951 55.2-171.0-154.8 130.5 16.5 -3.0 -12.2 37 161 A V - 0 0 13 -2,-0.3 2,-0.3 -32,-0.2 -32,-0.1 -0.985 7.5-179.3-127.6 131.1 13.8 -0.6 -13.4 38 162 A Y + 0 0 47 -2,-0.4 2,-0.3 17,-0.3 21,-0.2 -0.922 1.9 178.7-128.2 153.3 11.6 1.6 -11.2 39 163 A Y - 0 0 87 -36,-0.5 -34,-0.1 -2,-0.3 16,-0.1 -0.990 12.6-148.9-154.3 144.6 8.8 4.2 -11.9 40 164 A R > - 0 0 157 -2,-0.3 3,-1.2 1,-0.1 -37,-0.1 -0.762 27.3-119.7-114.2 160.6 6.5 6.4 -9.9 41 165 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -38,-0.0 0.683 103.7 79.7 -69.8 -18.2 3.0 7.7 -10.6 42 166 A M T 3 S+ 0 0 154 1,-0.2 2,-1.3 3,-0.0 -3,-0.0 0.797 80.2 73.3 -59.7 -28.7 4.3 11.3 -10.5 43 167 A D < + 0 0 33 -3,-1.2 -1,-0.2 1,-0.1 12,-0.1 -0.687 68.6 95.2 -91.4 86.6 5.5 10.7 -14.1 44 168 A E + 0 0 156 -2,-1.3 -1,-0.1 0, 0.0 4,-0.1 -0.193 43.5 96.7-170.7 64.1 2.2 10.8 -16.0 45 169 A Y S S+ 0 0 175 2,-0.1 2,-0.2 0, 0.0 -2,-0.0 0.034 75.5 58.1-145.1 26.7 1.4 14.2 -17.5 46 170 A S S S- 0 0 61 1,-0.2 5,-0.1 -3,-0.0 -3,-0.0 -0.842 92.6 -55.4-145.8-178.7 2.7 13.9 -21.1 47 171 A N > - 0 0 122 -2,-0.2 4,-1.5 1,-0.1 -1,-0.2 0.046 54.8-104.9 -55.2 171.5 2.4 11.9 -24.3 48 172 A Q H > S+ 0 0 143 2,-0.2 4,-1.2 1,-0.2 -1,-0.1 0.824 120.4 54.0 -70.5 -32.0 2.9 8.2 -24.3 49 173 A N H > S+ 0 0 109 2,-0.2 4,-1.7 1,-0.2 3,-0.3 0.935 108.8 46.5 -67.8 -47.7 6.3 8.6 -25.9 50 174 A N H > S+ 0 0 88 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.842 105.7 62.1 -63.6 -33.8 7.6 11.0 -23.3 51 175 A F H X S+ 0 0 67 -4,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.891 104.8 47.2 -59.4 -41.1 6.3 8.7 -20.6 52 176 A V H X S+ 0 0 19 -4,-1.2 4,-1.0 -3,-0.3 -2,-0.2 0.942 113.6 46.1 -66.6 -49.1 8.6 6.0 -21.7 53 177 A H H >X S+ 0 0 101 -4,-1.7 4,-1.1 1,-0.2 3,-0.7 0.907 111.2 53.2 -60.4 -43.5 11.7 8.2 -21.9 54 178 A N H >X S+ 0 0 44 -4,-2.9 4,-1.7 1,-0.2 3,-0.8 0.903 100.9 60.1 -58.9 -43.2 10.9 9.7 -18.5 55 179 A C H 3X S+ 0 0 6 -4,-1.8 4,-1.5 1,-0.3 -17,-0.3 0.827 101.9 54.9 -54.6 -33.1 10.8 6.3 -17.0 56 180 A V H < S+ 0 0 122 -4,-1.7 3,-2.0 1,-0.2 4,-0.2 0.979 111.4 38.6 -54.8 -64.1 18.3 8.8 -10.8 62 186 A Q H >X S+ 0 0 66 -4,-2.1 3,-2.4 1,-0.3 4,-0.7 0.774 101.1 78.3 -59.0 -26.1 17.6 6.2 -8.0 63 187 A H H 3X S+ 0 0 39 -4,-2.1 4,-1.9 1,-0.3 -1,-0.3 0.790 76.3 75.0 -53.6 -28.4 20.6 4.3 -9.4 64 188 A T H << S+ 0 0 64 -3,-2.0 4,-0.4 -4,-0.7 -1,-0.3 0.807 92.1 55.5 -55.0 -30.4 22.7 6.8 -7.6 65 189 A V H X4 S+ 0 0 83 -3,-2.4 3,-1.9 -4,-0.2 4,-0.3 0.973 108.2 43.2 -67.5 -56.7 21.8 5.0 -4.4 66 190 A T H >X S+ 0 0 87 -4,-0.7 3,-1.9 1,-0.3 4,-0.5 0.767 98.1 77.9 -60.9 -25.3 23.0 1.6 -5.4 67 191 A T H >X>S+ 0 0 36 -4,-1.9 5,-1.3 1,-0.3 4,-0.8 0.766 85.5 62.3 -55.7 -25.4 26.1 3.2 -6.9 68 192 A T H <45S+ 0 0 106 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.771 84.4 75.5 -72.0 -26.3 27.3 3.4 -3.3 69 193 A T H <45S+ 0 0 115 -3,-1.9 -1,-0.2 -4,-0.3 -2,-0.2 0.817 110.9 27.9 -54.7 -31.7 27.3 -0.4 -3.1 70 194 A K H <<5S- 0 0 152 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.541 104.7-131.5-105.4 -13.1 30.5 -0.3 -5.2 71 195 A G T <5 + 0 0 61 -4,-0.8 2,-0.2 1,-0.2 -3,-0.2 0.961 63.7 116.0 60.5 54.3 31.7 3.1 -4.1 72 196 A E < - 0 0 133 -5,-1.3 2,-0.3 0, 0.0 -1,-0.2 -0.833 56.4-119.5-141.4 178.3 32.4 4.4 -7.6 73 197 A N - 0 0 117 -2,-0.2 2,-0.4 -3,-0.1 -9,-0.0 -0.790 17.6-127.8-121.8 165.5 31.2 7.1 -10.1 74 198 A F - 0 0 102 -2,-0.3 2,-0.2 4,-0.0 -7,-0.0 -0.929 17.2-143.6-117.7 139.1 29.7 7.1 -13.6 75 199 A T > - 0 0 65 -2,-0.4 4,-3.2 1,-0.1 5,-0.3 -0.549 30.3-107.4 -96.3 163.3 31.0 9.0 -16.6 76 200 A E H > S+ 0 0 171 1,-0.2 4,-0.9 2,-0.2 -1,-0.1 0.801 123.3 48.3 -57.5 -29.1 29.0 10.7 -19.4 77 201 A T H > S+ 0 0 72 2,-0.2 4,-1.6 3,-0.1 -1,-0.2 0.895 113.5 44.4 -78.6 -43.0 30.1 7.8 -21.6 78 202 A D H > S+ 0 0 43 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.940 113.3 49.9 -66.8 -48.8 29.3 5.0 -19.2 79 203 A V H X S+ 0 0 26 -4,-3.2 4,-2.1 1,-0.2 -1,-0.2 0.847 106.5 58.7 -58.9 -34.9 25.9 6.4 -18.3 80 204 A K H X S+ 0 0 151 -4,-0.9 4,-1.0 -5,-0.3 -1,-0.2 0.946 108.0 43.1 -60.4 -50.7 25.1 6.8 -22.0 81 205 A M H X S+ 0 0 6 -4,-1.6 4,-0.9 1,-0.2 -1,-0.2 0.835 114.2 52.4 -64.8 -33.1 25.5 3.1 -22.7 82 206 A M H X S+ 0 0 39 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.826 102.5 58.4 -72.0 -32.5 23.6 2.3 -19.5 83 207 A E H X S+ 0 0 60 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.774 101.3 57.0 -67.7 -26.2 20.7 4.5 -20.5 84 208 A R H X S+ 0 0 85 -4,-1.0 4,-1.5 -3,-0.2 -1,-0.2 0.854 106.7 47.4 -72.9 -36.1 20.4 2.4 -23.7 85 209 A V H X S+ 0 0 12 -4,-0.9 4,-1.4 2,-0.2 -2,-0.2 0.837 107.1 57.5 -73.6 -34.0 19.9 -0.8 -21.7 86 210 A V H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.917 105.3 50.3 -62.6 -45.0 17.3 0.8 -19.4 87 211 A E H X S+ 0 0 81 -4,-1.4 4,-1.3 1,-0.2 3,-0.4 0.967 109.9 48.1 -58.0 -57.1 15.1 1.8 -22.3 88 212 A Q H X S+ 0 0 63 -4,-1.5 4,-1.2 1,-0.3 -1,-0.2 0.804 110.8 55.2 -54.6 -30.1 15.0 -1.7 -23.8 89 213 A M H X S+ 0 0 6 -4,-1.4 4,-1.3 2,-0.2 -1,-0.3 0.898 98.2 60.0 -70.8 -41.9 14.3 -3.0 -20.3 90 214 A C H < S+ 0 0 10 -4,-2.0 4,-0.5 -3,-0.4 3,-0.2 0.864 109.6 43.9 -54.0 -38.4 11.2 -0.8 -19.9 91 215 A I H >< S+ 0 0 38 -4,-1.3 3,-0.9 1,-0.2 7,-0.3 0.807 100.5 69.8 -77.0 -31.1 9.7 -2.5 -22.9 92 216 A T H 3< S+ 0 0 60 -4,-1.2 3,-0.2 1,-0.3 -1,-0.2 0.856 89.2 64.6 -54.5 -37.1 10.8 -6.0 -21.7 93 217 A Q T 3< S+ 0 0 91 -4,-1.3 2,-0.5 1,-0.2 -1,-0.3 0.896 116.6 24.6 -54.0 -43.5 8.2 -5.7 -18.9 94 218 A Y X> - 0 0 81 -3,-0.9 3,-0.8 -4,-0.5 4,-0.6 -0.948 58.8-174.4-130.8 112.6 5.4 -5.6 -21.5 95 219 A E H 3> S+ 0 0 151 -2,-0.5 4,-2.1 -3,-0.2 -1,-0.1 0.692 77.7 82.9 -75.1 -19.0 5.9 -7.2 -24.9 96 220 A R H 3> S+ 0 0 198 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.819 90.1 52.7 -53.8 -32.0 2.5 -5.9 -25.9 97 221 A E H X> S+ 0 0 85 -3,-0.8 3,-1.4 -6,-0.3 4,-0.8 0.954 107.7 47.1 -69.7 -51.9 4.2 -2.6 -26.7 98 222 A S H 3X S+ 0 0 55 -4,-0.6 4,-1.9 -7,-0.3 3,-0.4 0.796 98.4 73.5 -60.4 -28.5 6.9 -4.0 -29.0 99 223 A Q H 3X S+ 0 0 112 -4,-2.1 4,-1.3 1,-0.3 -1,-0.3 0.843 96.8 48.8 -54.4 -35.3 4.1 -5.9 -30.7 100 224 A A H << S+ 0 0 69 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.816 104.5 59.4 -74.8 -31.8 3.0 -2.7 -32.3 101 225 A Y H < S+ 0 0 207 -4,-0.8 -2,-0.2 -3,-0.4 -1,-0.2 0.907 105.1 48.7 -63.1 -43.2 6.6 -1.8 -33.4 102 226 A Y H < S+ 0 0 215 -4,-1.9 2,-0.4 3,-0.0 -1,-0.2 0.913 101.0 74.2 -63.6 -44.1 6.8 -5.0 -35.5 103 227 A Q S < S- 0 0 147 -4,-1.3 0, 0.0 -5,-0.2 0, 0.0 -0.581 109.1 -17.3 -75.9 127.7 3.5 -4.3 -37.2 104 228 A R - 0 0 210 -2,-0.4 0, 0.0 1,-0.2 0, 0.0 0.201 63.4-127.2 62.3 168.7 3.6 -1.5 -39.7 105 229 A G + 0 0 75 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 -0.132 41.7 156.1-146.6 44.1 6.4 1.0 -39.9 106 230 A S 0 0 108 1,-0.2 0, 0.0 0, 0.0 0, 0.0 -0.630 360.0 360.0 -78.7 123.1 4.9 4.5 -39.9 107 231 A S 0 0 177 -2,-0.5 -1,-0.2 0, 0.0 0, 0.0 0.427 360.0 360.0-118.9 360.0 7.3 7.2 -38.6