==== 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 24-FEB-09 2KFL . COMPND 2 MOLECULE: MAJOR PRION PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MACROPUS EUGENII; . AUTHOR B.CHRISTEN,S.HORNEMANN,F.F.DAMBERGER,K.WUTHRICH . 112 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6939.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 70 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 2.7 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 . 3 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 38.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.7 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 1 0 0 0 0 0 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 1 119 A G 0 0 96 0, 0.0 2,-0.3 0, 0.0 62,-0.0 0.000 360.0 360.0 360.0-154.6 4.4 12.4 -6.3 2 120 A S - 0 0 106 4,-0.0 2,-0.3 3,-0.0 65,-0.1 -0.942 360.0-153.9-146.1 164.3 0.9 13.8 -7.1 3 121 A V - 0 0 37 -2,-0.3 2,-0.9 64,-0.0 3,-0.3 -0.928 54.0 -70.3-132.2 161.6 -2.9 13.1 -7.1 4 122 A V S S- 0 0 137 -2,-0.3 -2,-0.0 1,-0.3 0, 0.0 -0.344 106.7 -41.3 -50.7 90.5 -5.7 14.6 -9.3 5 123 A G S S- 0 0 95 -2,-0.9 -1,-0.3 3,-0.0 2,-0.2 0.437 126.8 -22.9 68.7 5.1 -5.8 18.1 -7.8 6 124 A G S S- 0 0 38 -3,-0.3 2,-0.1 2,-0.0 -4,-0.0 -0.702 99.3 -44.3 134.1 163.1 -5.4 16.9 -4.1 7 125 A L - 0 0 82 -2,-0.2 2,-0.8 1,-0.1 -4,-0.0 -0.437 53.0-127.6 -75.1 146.0 -6.0 13.7 -2.1 8 126 A G - 0 0 22 1,-0.2 -1,-0.1 -2,-0.1 -3,-0.0 -0.151 49.6 -87.1 -95.4 31.2 -9.3 12.0 -2.8 9 127 A G S S+ 0 0 67 -2,-0.8 -1,-0.2 1,-0.1 36,-0.1 0.826 73.1 169.2 70.5 28.8 -10.9 11.6 0.6 10 128 A Y - 0 0 32 36,-0.1 2,-0.3 34,-0.1 36,-0.2 -0.132 21.7-141.2 -63.9 169.4 -9.0 8.3 1.1 11 129 A M E -A 45 0A 65 34,-2.3 34,-2.3 3,-0.0 2,-0.3 -0.979 18.5-105.7-137.0 152.5 -8.9 6.4 4.4 12 130 A L E -A 44 0A 86 -2,-0.3 2,-0.3 32,-0.2 32,-0.2 -0.588 23.4-142.5 -73.4 129.6 -6.2 4.4 6.3 13 131 A G - 0 0 2 30,-2.9 31,-0.1 -2,-0.3 -1,-0.1 -0.051 46.8-106.5 -86.5 28.6 -7.0 0.6 6.1 14 132 A S - 0 0 82 -2,-0.3 2,-0.7 29,-0.1 29,-0.4 0.311 50.5 -58.0 47.7 170.7 -5.8 0.0 9.7 15 133 A A + 0 0 65 27,-0.1 27,-0.2 -3,-0.1 -1,-0.1 -0.715 60.3 178.2 -84.4 116.5 -2.5 -1.7 10.6 16 134 A M - 0 0 45 25,-2.6 2,-0.1 -2,-0.7 25,-0.1 -0.036 37.9 -67.2 -93.1-165.0 -2.2 -5.2 9.2 17 135 A S - 0 0 97 -2,-0.1 -1,-0.3 78,-0.0 78,-0.0 -0.332 48.1-103.6 -76.6 170.9 0.7 -7.7 9.5 18 136 A R - 0 0 73 -2,-0.1 23,-0.1 77,-0.0 2,-0.1 -0.911 44.3-164.7 -91.1 103.5 4.1 -7.2 7.9 19 137 A P - 0 0 45 0, 0.0 76,-0.0 0, 0.0 72,-0.0 -0.339 21.3-105.5 -74.5 171.2 4.1 -9.6 4.9 20 138 A V - 0 0 87 -2,-0.1 2,-0.3 2,-0.0 0, 0.0 -0.075 26.1-137.2 -73.1-173.6 7.1 -10.7 3.0 21 139 A M - 0 0 12 8,-0.1 2,-0.5 73,-0.0 12,-0.1 -0.894 17.0-174.9-152.7 125.7 8.0 -9.4 -0.5 22 140 A H + 0 0 123 -2,-0.3 -2,-0.0 1,-0.1 7,-0.0 -0.960 16.5 164.7-130.5 102.3 9.2 -11.6 -3.3 23 141 A F - 0 0 46 -2,-0.5 -1,-0.1 2,-0.1 3,-0.1 0.710 55.7-119.1 -81.7 -27.7 10.3 -9.9 -6.5 24 142 A G S S+ 0 0 69 1,-0.3 2,-0.2 2,-0.0 -2,-0.1 0.709 82.9 96.1 88.4 24.6 12.1 -13.1 -7.6 25 143 A N S S- 0 0 91 1,-0.1 -1,-0.3 0, 0.0 -2,-0.1 -0.429 73.8-130.8-112.3-166.0 15.5 -11.5 -7.8 26 144 A E S > S+ 0 0 148 -2,-0.2 4,-2.3 3,-0.1 5,-0.2 0.564 100.5 49.7-112.2 -32.5 18.3 -11.3 -5.2 27 145 A Y H > S+ 0 0 124 2,-0.2 4,-3.0 3,-0.2 5,-0.1 0.974 117.8 35.1 -75.5 -55.3 19.0 -7.5 -5.3 28 146 A E H > S+ 0 0 44 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.899 120.9 51.6 -64.1 -42.0 15.4 -6.1 -4.9 29 147 A D H > S+ 0 0 6 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.889 113.2 43.5 -61.7 -46.6 14.6 -9.1 -2.6 30 148 A R H X S+ 0 0 110 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.940 111.1 54.8 -63.1 -51.8 17.7 -8.4 -0.4 31 149 A Y H X S+ 0 0 50 -4,-3.0 4,-0.6 1,-0.2 -2,-0.2 0.859 109.0 49.8 -53.6 -40.7 17.0 -4.6 -0.4 32 150 A Y H >< S+ 0 0 4 -4,-2.3 3,-1.7 2,-0.2 4,-0.3 0.969 112.4 44.7 -58.4 -57.7 13.5 -5.3 0.9 33 151 A R H >< S+ 0 0 99 -4,-2.0 3,-1.4 1,-0.3 4,-0.2 0.917 109.4 58.2 -57.2 -43.5 14.7 -7.6 3.7 34 152 A E H 3< S+ 0 0 126 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.643 122.3 24.6 -57.3 -22.6 17.5 -5.1 4.5 35 153 A N T XX S+ 0 0 35 -3,-1.7 3,-1.5 -4,-0.6 4,-1.2 0.084 78.3 130.3-134.2 23.1 14.8 -2.3 5.1 36 154 A Q T <4 S+ 0 0 102 -3,-1.4 -2,-0.1 1,-0.3 -3,-0.1 0.706 73.9 57.8 -59.2 -23.0 11.7 -4.4 6.0 37 155 A Y T 34 S+ 0 0 158 -4,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.834 100.4 55.1 -72.4 -38.4 11.2 -2.2 9.1 38 156 A R T <4 S+ 0 0 72 -3,-1.5 -2,-0.2 2,-0.1 -1,-0.2 0.869 90.6 87.9 -66.6 -36.4 11.0 1.1 7.0 39 157 A Y S < S- 0 0 2 -4,-1.2 45,-0.0 -7,-0.2 -7,-0.0 -0.451 84.3-119.2 -69.9 131.2 8.2 -0.4 4.8 40 158 A P - 0 0 18 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.129 6.1-145.6 -64.3 163.3 4.7 0.2 6.4 41 159 A N S S+ 0 0 52 -23,-0.1 -25,-2.6 -25,-0.1 2,-0.3 -0.203 80.0 77.2-112.5 28.8 2.1 -2.4 7.4 42 160 A Q - 0 0 66 -27,-0.2 2,-0.3 2,-0.0 -27,-0.1 -0.938 55.4-171.5-137.0 158.2 -0.7 -0.1 6.3 43 161 A V - 0 0 1 -29,-0.4 -30,-2.9 -2,-0.3 2,-0.3 -0.909 15.3-137.4-139.9 166.2 -2.3 1.0 3.0 44 162 A M E +A 12 0A 21 17,-0.5 21,-0.4 -2,-0.3 20,-0.3 -0.970 26.1 173.0-130.0 152.3 -4.9 3.7 2.2 45 163 A Y E -A 11 0A 24 -34,-2.3 -34,-2.3 -2,-0.3 13,-0.1 -0.881 31.6-109.2-153.2 167.4 -7.8 3.4 -0.2 46 164 A R - 0 0 75 -2,-0.3 -36,-0.1 -36,-0.2 5,-0.1 -0.776 54.0 -86.8-101.6 151.9 -11.0 4.8 -1.7 47 165 A P > - 0 0 40 0, 0.0 3,-2.1 0, 0.0 4,-0.5 -0.268 34.1-116.7 -64.8 147.5 -14.4 3.4 -0.9 48 166 A I G > S+ 0 0 28 1,-0.3 3,-0.8 2,-0.2 5,-0.0 0.777 111.1 78.2 -56.8 -24.9 -15.5 0.4 -3.0 49 167 A D G 3 S+ 0 0 138 1,-0.2 -1,-0.3 3,-0.1 -3,-0.0 0.831 86.3 57.6 -35.5 -51.9 -18.3 2.9 -4.1 50 168 A Q G < S- 0 0 91 -3,-2.1 -1,-0.2 0, 0.0 -2,-0.2 0.824 127.3 -12.4 -61.9 -39.1 -15.9 4.7 -6.4 51 169 A Y < - 0 0 59 -3,-0.8 -3,-0.0 -4,-0.5 0, 0.0 0.005 61.0-135.5-138.4-134.8 -15.0 1.7 -8.6 52 170 A G + 0 0 59 1,-0.1 2,-0.3 -2,-0.1 -3,-0.1 0.259 60.6 91.8 154.8 62.1 -15.5 -2.0 -8.2 53 171 A S - 0 0 31 1,-0.2 4,-0.2 -5,-0.0 -1,-0.1 -0.951 65.6-130.6-154.9 163.9 -12.4 -4.0 -9.1 54 172 A Q S >> S+ 0 0 59 -2,-0.3 4,-3.1 3,-0.1 3,-0.5 0.879 108.0 46.6 -80.5 -62.1 -9.3 -5.5 -7.5 55 173 A N H 3> S+ 0 0 104 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.815 114.5 43.3 -54.4 -48.0 -6.9 -4.0 -10.1 56 174 A S H 3> S+ 0 0 62 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.867 117.7 48.0 -69.7 -32.2 -8.2 -0.4 -10.1 57 175 A F H <> S+ 0 0 0 -3,-0.5 4,-3.3 -4,-0.2 5,-0.3 0.981 114.5 46.9 -62.7 -57.4 -8.5 -0.5 -6.3 58 176 A V H X S+ 0 0 4 -4,-3.1 4,-3.0 1,-0.2 5,-0.3 0.900 111.9 49.4 -49.7 -55.5 -4.9 -1.9 -6.1 59 177 A H H X S+ 0 0 100 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.925 120.4 34.6 -58.7 -49.2 -3.4 0.6 -8.5 60 178 A D H X S+ 0 0 71 -4,-1.7 4,-1.6 2,-0.2 5,-0.2 0.908 116.8 54.4 -74.3 -40.7 -4.9 3.7 -6.8 61 179 A a H >X S+ 0 0 0 -4,-3.3 4,-2.7 -5,-0.2 -17,-0.5 0.948 114.8 41.1 -53.6 -54.3 -4.7 2.3 -3.2 62 180 A V H 3X S+ 0 0 6 -4,-3.0 4,-2.5 -5,-0.3 -2,-0.2 0.963 112.4 54.8 -58.1 -54.1 -0.9 1.7 -3.7 63 181 A N H 3X S+ 0 0 77 -4,-2.4 4,-0.7 -5,-0.3 -1,-0.2 0.647 114.2 40.2 -65.7 -19.1 -0.4 5.0 -5.5 64 182 A I H X S+ 0 0 11 -4,-2.5 4,-2.9 1,-0.3 3,-0.5 0.930 111.5 47.9 -45.2 -61.6 3.2 5.6 -1.4 67 185 A K H 3< S+ 0 0 18 -4,-0.7 4,-0.3 1,-0.2 5,-0.3 0.839 102.8 61.3 -49.4 -46.0 2.5 9.3 -1.3 68 186 A Q H >X>S+ 0 0 35 -4,-2.4 5,-0.9 -3,-0.2 3,-0.8 0.929 115.3 34.7 -53.4 -45.3 1.1 9.2 2.3 69 187 A H H X<>S+ 0 0 23 -4,-1.7 5,-1.7 -3,-0.5 3,-0.7 0.951 122.0 47.4 -69.7 -47.1 4.6 8.1 3.4 70 188 A T T 3<5S+ 0 0 30 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.108 119.5 39.6 -83.3 18.8 6.4 10.2 0.8 71 189 A T T <45S+ 0 0 76 -3,-0.8 -1,-0.2 -4,-0.3 -2,-0.2 0.350 132.8 15.1-142.4 -8.6 4.4 13.4 1.5 72 190 A T T 4XS+ 0 0 44 -5,-0.9 5,-1.7 -4,-0.4 3,-0.8 0.882 106.9 62.6 -66.5 -31.3 6.5 10.8 6.9 74 192 A T G >4 - 0 0 56 -2,-0.5 4,-1.0 1,-0.1 5,-0.1 -0.434 27.0-109.7 -84.3 168.2 14.2 6.9 -2.2 82 200 A E H >> S+ 0 0 150 2,-0.2 4,-2.0 1,-0.2 3,-0.7 0.921 123.9 55.6 -68.4 -35.7 12.5 6.1 -5.5 83 201 A T H 3> S+ 0 0 56 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.882 105.7 52.4 -58.7 -37.2 14.1 2.7 -5.4 84 202 A D H 3> S+ 0 0 6 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.765 107.7 53.5 -67.6 -25.6 12.4 2.3 -2.0 85 203 A I H X S+ 0 0 1 -4,-1.5 3,-2.5 1,-0.2 4,-2.1 0.970 113.3 49.8 -56.3 -61.4 9.6 -1.9 -3.5 88 206 A M H 3X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.3 5,-0.4 0.868 101.5 62.9 -48.3 -46.2 6.7 -0.3 -1.5 89 207 A E H 3< S+ 0 0 46 -4,-3.2 -1,-0.3 1,-0.2 -2,-0.2 0.457 113.6 36.0 -64.4 1.1 4.5 -0.2 -4.6 90 208 A R H <> S+ 0 0 106 -3,-2.5 4,-1.4 -5,-0.2 -2,-0.2 0.668 117.3 46.8-116.7 -46.2 4.6 -4.1 -4.6 91 209 A V H X S+ 0 0 0 -4,-2.1 4,-1.2 1,-0.2 3,-0.4 0.958 116.8 46.5 -62.8 -44.9 4.7 -4.9 -0.8 92 210 A V H X S+ 0 0 0 -4,-2.8 4,-2.9 -5,-0.2 -1,-0.2 0.735 102.9 67.6 -70.7 -17.4 1.8 -2.5 -0.3 93 211 A E H > S+ 0 0 62 -5,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.940 100.3 47.0 -63.0 -48.4 0.1 -4.1 -3.4 94 212 A Q H X S+ 0 0 94 -4,-1.4 4,-1.7 -3,-0.4 -1,-0.2 0.875 114.2 47.9 -63.7 -37.4 -0.4 -7.4 -1.4 95 213 A M H X S+ 0 0 7 -4,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.949 110.2 51.3 -69.5 -47.0 -1.8 -5.4 1.5 96 214 A a H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.910 107.9 53.7 -53.5 -46.4 -4.1 -3.4 -0.8 97 215 A I H X S+ 0 0 44 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.899 112.8 42.9 -54.7 -46.3 -5.4 -6.7 -2.2 98 216 A T H X S+ 0 0 69 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.845 112.9 54.2 -69.6 -33.1 -6.2 -7.9 1.3 99 217 A Q H X S+ 0 0 13 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.862 103.1 53.4 -77.3 -35.4 -7.7 -4.5 2.3 100 218 A Y H >X S+ 0 0 45 -4,-2.6 4,-2.9 2,-0.2 3,-1.0 0.977 113.9 45.0 -54.9 -53.7 -10.2 -4.3 -0.6 101 219 A Q H 3X S+ 0 0 83 -4,-1.4 4,-2.8 1,-0.3 5,-0.4 0.909 110.0 55.0 -55.4 -46.3 -11.4 -7.8 0.5 102 220 A N H 3< S+ 0 0 69 -4,-2.4 4,-0.5 2,-0.2 -1,-0.3 0.716 115.0 39.1 -66.0 -23.4 -11.4 -6.6 4.2 103 221 A E H << S+ 0 0 38 -4,-1.4 -2,-0.2 -3,-1.0 -1,-0.2 0.899 117.6 47.6 -86.8 -50.6 -13.7 -3.6 3.3 104 222 A Y H >X S+ 0 0 109 -4,-2.9 4,-2.9 1,-0.2 3,-1.6 0.927 116.2 43.1 -51.3 -56.8 -15.9 -5.5 0.9 105 223 A Q H 3X S+ 0 0 110 -4,-2.8 4,-0.8 1,-0.3 -1,-0.2 0.920 112.6 56.0 -57.5 -43.3 -16.4 -8.4 3.2 106 224 A A H 34 S+ 0 0 19 -4,-0.5 -1,-0.3 -5,-0.4 -2,-0.2 0.066 117.6 33.5 -77.3 19.8 -16.9 -5.9 6.0 107 225 A A H X> S+ 0 0 7 -3,-1.6 4,-2.6 5,-0.1 3,-1.5 0.426 108.2 58.6-140.8 -52.1 -19.7 -4.2 4.2 108 226 A Q H 3< S+ 0 0 82 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.1 0.609 94.9 74.3 -61.5 -10.0 -21.6 -6.8 2.1 109 227 A R T 3< S+ 0 0 183 -4,-0.8 -1,-0.3 -5,-0.3 -3,-0.1 0.898 120.6 7.3 -65.8 -41.1 -22.2 -8.4 5.6 110 228 A Y T <4 S- 0 0 132 -3,-1.5 -2,-0.2 0, 0.0 -1,-0.1 0.566 107.4-113.9-112.3 -15.6 -24.8 -5.8 6.6 111 229 A Y < 0 0 167 -4,-2.6 -3,-0.2 0, 0.0 -5,-0.0 0.861 360.0 360.0 61.3 106.7 -25.2 -3.9 3.3 112 230 A N 0 0 174 0, 0.0 -5,-0.1 0, 0.0 -4,-0.0 0.673 360.0 360.0 25.2 360.0 -23.9 -0.3 3.7