==== 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 1DX0 . 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) . 7159.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 70 67.3 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 . 10 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 50 48.1 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 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 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 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 0 121 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 16.6 12.5 -11.1 -5.8 2 125 A L - 0 0 36 1,-0.1 3,-0.4 2,-0.1 57,-0.1 0.890 360.0-142.7 -61.5 -44.6 11.4 -8.9 -2.9 3 126 A G - 0 0 86 1,-0.2 -1,-0.1 2,-0.0 0, 0.0 -0.232 60.7 -64.5 98.0 -35.9 14.7 -9.6 -1.1 4 127 A G S S- 0 0 50 2,-0.0 3,-0.3 0, 0.0 -1,-0.2 -0.052 75.5-176.0 149.0 -31.8 12.9 -9.6 2.2 5 128 A Y - 0 0 33 -3,-0.4 2,-0.2 1,-0.2 36,-0.2 0.129 36.2 -85.8 42.2-159.5 11.6 -6.0 2.5 6 129 A M E -A 40 0A 85 34,-1.3 34,-1.9 35,-0.1 2,-0.6 -0.735 37.0-161.2-146.3 86.1 9.8 -4.5 5.6 7 130 A L E -A 39 0A 74 -3,-0.3 32,-0.3 32,-0.2 34,-0.0 -0.675 20.3-133.4 -78.4 116.5 6.0 -5.2 5.5 8 131 A G - 0 0 8 30,-2.9 3,-0.1 -2,-0.6 30,-0.1 -0.228 22.9-101.4 -59.8 156.9 4.3 -2.8 7.9 9 132 A S - 0 0 96 1,-0.2 29,-0.3 28,-0.1 -1,-0.1 -0.073 63.6 -59.4 -62.4 173.0 1.6 -4.0 10.4 10 133 A A - 0 0 74 27,-0.1 27,-0.2 1,-0.1 2,-0.2 -0.378 69.7-159.9 -63.3 149.2 -2.1 -3.3 9.6 11 134 A M - 0 0 28 25,-2.5 2,-0.5 -3,-0.1 -1,-0.1 -0.581 27.2 -79.4-127.7 174.9 -2.8 0.4 9.2 12 135 A S - 0 0 93 -2,-0.2 -1,-0.0 78,-0.1 0, 0.0 -0.720 51.8-127.9 -76.6 121.8 -5.4 3.2 9.2 13 136 A R - 0 0 123 -2,-0.5 2,-0.2 1,-0.0 23,-0.1 -0.739 21.0-127.3 -78.7 118.4 -7.0 2.9 5.7 14 137 A P - 0 0 29 0, 0.0 2,-0.3 0, 0.0 76,-0.1 -0.464 24.6-119.0 -61.1 129.3 -6.8 6.4 4.1 15 138 A L - 0 0 105 -2,-0.2 2,-0.3 2,-0.0 9,-0.0 -0.627 28.2-141.2 -71.3 130.7 -10.3 7.4 3.0 16 139 A I - 0 0 12 -2,-0.3 2,-0.3 8,-0.1 3,-0.2 -0.725 7.2-154.5 -98.5 146.5 -10.2 7.9 -0.8 17 140 A H + 0 0 159 -2,-0.3 7,-0.1 1,-0.2 -2,-0.0 -0.591 25.6 161.6-132.3 64.2 -12.2 10.8 -2.3 18 141 A F - 0 0 64 -2,-0.3 -1,-0.2 2,-0.2 3,-0.1 0.891 56.7-114.5 -50.2 -48.8 -12.9 9.8 -5.9 19 142 A G S S+ 0 0 60 1,-0.4 2,-0.3 -3,-0.2 -1,-0.1 0.478 82.2 85.2 119.2 10.9 -15.8 12.4 -6.0 20 143 A S S > S- 0 0 53 1,-0.1 4,-1.5 0, 0.0 -1,-0.4 -0.986 74.6-125.3-137.2 151.8 -18.9 10.2 -6.5 21 144 A D H > S+ 0 0 147 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.801 105.7 57.9 -56.9 -39.1 -21.2 8.4 -4.0 22 145 A Y H > S+ 0 0 171 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.972 110.8 37.8 -70.1 -53.4 -20.8 5.1 -5.7 23 146 A E H > S+ 0 0 60 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.768 112.2 63.5 -65.0 -25.4 -17.0 4.7 -5.5 24 147 A D H X S+ 0 0 34 -4,-1.5 4,-1.5 1,-0.2 -2,-0.2 0.984 114.7 29.3 -64.2 -58.0 -17.3 6.3 -2.0 25 148 A R H X S+ 0 0 173 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.843 114.2 65.5 -68.5 -31.7 -19.3 3.4 -0.6 26 149 A Y H X S+ 0 0 67 -4,-2.7 4,-1.6 -5,-0.2 -2,-0.2 0.898 106.1 43.5 -60.8 -42.3 -17.7 0.9 -3.1 27 150 A Y H < S+ 0 0 3 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.962 116.4 46.4 -56.7 -57.3 -14.3 1.5 -1.3 28 151 A R H >< S+ 0 0 120 -4,-1.5 3,-0.5 1,-0.2 -2,-0.2 0.769 109.4 57.0 -65.3 -31.6 -15.9 1.3 2.2 29 152 A E H 3< S+ 0 0 104 -4,-3.0 3,-0.3 1,-0.2 2,-0.3 0.993 123.1 18.9 -55.5 -67.2 -17.9 -1.8 1.3 30 153 A N T >X S+ 0 0 71 -4,-1.6 3,-1.2 1,-0.2 4,-0.6 -0.385 75.7 138.0-116.1 46.1 -15.0 -4.0 0.3 31 154 A M G X4 S+ 0 0 34 -3,-0.5 3,-1.5 -2,-0.3 -1,-0.2 0.901 70.5 63.1 -55.6 -43.6 -12.0 -2.2 1.9 32 155 A H G 34 S+ 0 0 151 -3,-0.3 -1,-0.2 1,-0.3 4,-0.1 0.611 90.4 67.3 -63.6 -15.7 -10.6 -5.6 3.0 33 156 A R G <4 S+ 0 0 115 -3,-1.2 -1,-0.3 2,-0.1 -2,-0.2 0.859 100.8 55.8 -70.0 -38.5 -10.2 -6.5 -0.7 34 157 A Y S << S- 0 0 4 -3,-1.5 2,-0.1 -4,-0.6 45,-0.0 -0.430 108.8 -89.1 -79.6 164.5 -7.5 -3.8 -0.9 35 158 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.366 20.7-161.5 -67.5 159.5 -4.5 -4.1 1.5 36 159 A N S S+ 0 0 35 -4,-0.1 -25,-2.5 -23,-0.1 2,-0.3 0.086 77.1 65.0-113.1 14.7 -4.5 -2.6 5.0 37 160 A Q S S- 0 0 78 -27,-0.2 2,-0.4 -26,-0.0 -27,-0.1 -0.855 71.5-135.7-129.6 166.9 -0.6 -2.9 5.0 38 161 A V - 0 0 0 -29,-0.3 -30,-2.9 -2,-0.3 2,-0.8 -0.996 8.7-146.2-128.6 123.1 2.4 -1.4 3.1 39 162 A Y E +A 7 0A 61 -2,-0.4 21,-0.4 -32,-0.3 2,-0.3 -0.816 45.2 149.3 -79.9 108.9 5.3 -3.4 1.8 40 163 A Y E -A 6 0A 7 -34,-1.9 -34,-1.3 -2,-0.8 13,-0.1 -0.923 46.8-115.2-138.1 159.7 8.1 -0.9 2.2 41 164 A R - 0 0 79 -2,-0.3 4,-0.1 -36,-0.2 15,-0.1 -0.745 43.9 -98.7 -83.3 154.6 11.9 -0.9 2.9 42 165 A P - 0 0 45 0, 0.0 -1,-0.1 0, 0.0 53,-0.0 -0.213 22.9-123.4 -61.5 160.1 13.2 0.7 6.2 43 166 A V S S+ 0 0 8 4,-0.1 2,-1.0 1,-0.1 4,-0.1 0.767 100.2 86.2 -73.2 -29.5 14.5 4.3 5.9 44 167 A D S S+ 0 0 123 2,-0.1 -1,-0.1 3,-0.1 2,-0.0 -0.721 98.0 17.8 -75.6 100.8 17.7 2.8 7.4 45 168 A Q S S+ 0 0 120 -2,-1.0 -4,-0.0 -4,-0.1 0, 0.0 0.345 127.0 25.9 95.6 133.8 19.4 1.6 4.2 46 169 A Y S S- 0 0 81 1,-0.2 2,-0.6 -2,-0.0 -2,-0.1 0.910 78.2-162.8 53.1 51.3 18.5 2.9 0.7 47 170 A S + 0 0 83 -4,-0.1 2,-0.3 5,-0.0 -1,-0.2 -0.502 29.4 140.4 -61.7 107.8 17.1 6.2 1.9 48 171 A N - 0 0 56 -2,-0.6 5,-0.1 1,-0.2 0, 0.0 -0.962 47.4-152.7-142.2 163.2 15.0 7.7 -0.9 49 172 A Q S >> S+ 0 0 111 -2,-0.3 4,-2.9 3,-0.1 3,-0.9 0.789 100.7 17.0 -91.8 -75.6 11.8 9.6 -1.5 50 173 A N H 3>>S+ 0 0 97 1,-0.2 4,-2.8 2,-0.2 5,-0.6 0.956 126.9 52.4 -60.5 -59.1 10.8 8.4 -5.1 51 174 A N H 345S+ 0 0 86 1,-0.2 -1,-0.2 2,-0.2 -2,-0.0 0.525 119.8 37.0 -65.4 -7.0 13.0 5.3 -5.3 52 175 A F H <>5S+ 0 0 4 -3,-0.9 4,-2.5 3,-0.1 -2,-0.2 0.789 119.9 42.9-103.5 -54.9 11.6 4.1 -2.0 53 176 A V H X5S+ 0 0 12 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.899 119.2 43.9 -61.6 -46.9 7.8 5.1 -2.2 54 177 A H H X5S+ 0 0 117 -4,-2.8 4,-3.3 -5,-0.3 -1,-0.2 0.971 115.3 46.2 -67.2 -48.7 7.4 4.1 -5.8 55 178 A D H >X S+ 0 0 62 -4,-2.2 4,-2.3 2,-0.2 3,-0.5 0.965 113.5 45.7 -56.5 -59.5 -2.3 -13.1 -5.2 68 191 A T H ><>S+ 0 0 6 -4,-2.2 5,-2.6 1,-0.3 3,-0.7 0.916 113.4 48.3 -40.3 -65.9 -5.8 -12.2 -6.5 69 192 A T H ><5S+ 0 0 96 -4,-2.4 3,-0.6 1,-0.3 -1,-0.3 0.821 115.2 45.8 -49.5 -38.1 -5.0 -13.2 -10.0 70 193 A T H <<5S+ 0 0 107 -4,-2.4 -1,-0.3 -3,-0.5 -2,-0.2 0.808 112.6 51.2 -77.2 -26.1 -3.5 -16.6 -8.7 71 194 A K T <<5S- 0 0 140 -4,-2.3 -2,-0.2 -3,-0.7 -1,-0.2 0.270 123.4-102.9 -95.2 8.6 -6.5 -17.1 -6.3 72 195 A G T < 5S+ 0 0 73 -3,-0.6 -3,-0.2 -4,-0.4 2,-0.2 0.576 80.7 130.7 80.6 12.1 -9.0 -16.6 -9.1 73 196 A E < - 0 0 91 -5,-2.6 2,-0.3 -6,-0.2 -1,-0.3 -0.566 42.1-150.4 -88.9 160.0 -10.0 -13.0 -8.1 74 197 A N - 0 0 106 -2,-0.2 2,-0.4 -3,-0.1 -6,-0.0 -0.949 4.5-149.8-129.6 152.5 -10.1 -10.0 -10.5 75 198 A F - 0 0 34 -2,-0.3 2,-0.1 -10,-0.0 -2,-0.0 -0.986 13.1-142.4-120.3 132.1 -9.5 -6.2 -10.2 76 199 A T >> - 0 0 68 -2,-0.4 4,-1.6 1,-0.1 3,-0.6 -0.395 36.0 -97.5 -78.9 167.4 -11.2 -3.6 -12.3 77 200 A E H 3> S+ 0 0 113 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.900 125.9 52.7 -58.7 -43.4 -9.3 -0.5 -13.5 78 201 A T H 3> S+ 0 0 44 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.857 106.5 55.6 -62.2 -31.0 -10.7 1.7 -10.7 79 202 A D H <> S+ 0 0 4 -3,-0.6 4,-2.6 2,-0.2 -1,-0.2 0.882 104.4 52.7 -67.1 -38.9 -9.4 -1.0 -8.2 80 203 A I H X S+ 0 0 63 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.969 114.9 41.0 -56.7 -54.8 -5.9 -0.7 -9.7 81 204 A K H X S+ 0 0 127 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.792 110.4 60.2 -64.1 -31.7 -6.0 3.1 -9.1 82 205 A M H X S+ 0 0 0 -4,-2.0 4,-2.9 -5,-0.2 -1,-0.2 0.945 110.8 39.6 -58.6 -54.5 -7.8 2.5 -5.7 83 206 A M H X S+ 0 0 0 -4,-2.6 4,-3.3 2,-0.2 5,-0.4 0.948 113.5 54.5 -63.4 -49.4 -4.8 0.5 -4.5 84 207 A E H X S+ 0 0 95 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.920 115.7 40.1 -50.2 -48.7 -2.2 2.9 -6.1 85 208 A R H X S+ 0 0 129 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.963 119.5 43.8 -63.0 -57.3 -3.9 5.8 -4.2 86 209 A V H X S+ 0 0 1 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.916 117.7 44.7 -58.6 -47.3 -4.4 3.9 -0.9 87 210 A V H X S+ 0 0 0 -4,-3.3 4,-2.8 2,-0.2 5,-0.2 0.861 113.4 50.7 -71.9 -37.1 -0.9 2.3 -0.9 88 211 A E H X S+ 0 0 57 -4,-2.1 4,-2.8 -5,-0.4 5,-0.3 0.977 113.7 45.7 -56.8 -56.8 0.7 5.7 -1.9 89 212 A Q H X S+ 0 0 82 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.910 117.7 42.8 -56.4 -47.7 -1.1 7.4 0.9 90 213 A M H X S+ 0 0 3 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.900 114.1 50.2 -66.4 -42.8 -0.3 4.7 3.5 91 214 A a H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.920 115.3 42.6 -68.6 -41.3 3.4 4.3 2.4 92 215 A I H X S+ 0 0 38 -4,-2.8 4,-3.3 -5,-0.2 -1,-0.2 0.909 110.2 58.0 -68.9 -39.6 4.0 8.0 2.6 93 216 A T H X S+ 0 0 42 -4,-2.4 4,-1.9 -5,-0.3 -2,-0.2 0.932 109.2 46.0 -51.8 -47.1 2.1 8.1 5.9 94 217 A Q H X S+ 0 0 37 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.948 114.3 47.4 -59.4 -50.8 4.6 5.6 7.2 95 218 A Y H X S+ 0 0 56 -4,-2.3 4,-3.0 2,-0.2 5,-0.4 0.904 107.9 55.2 -58.3 -46.3 7.5 7.6 5.8 96 219 A Q H X S+ 0 0 123 -4,-3.3 4,-1.5 1,-0.2 -1,-0.2 0.937 116.1 38.5 -51.2 -52.5 6.2 10.9 7.2 97 220 A R H X S+ 0 0 172 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.940 119.6 44.5 -64.2 -56.2 6.1 9.3 10.7 98 221 A E H X S+ 0 0 87 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.939 115.8 46.3 -58.2 -52.3 9.4 7.3 10.5 99 222 A S H X S+ 0 0 23 -4,-3.0 4,-0.9 -5,-0.2 -1,-0.2 0.749 107.6 58.8 -71.9 -23.3 11.4 10.1 8.9 100 223 A Q H >< S+ 0 0 137 -4,-1.5 3,-1.5 -5,-0.4 -1,-0.2 0.990 110.9 41.1 -55.5 -61.8 10.1 12.5 11.5 101 224 A A H >< S+ 0 0 70 -4,-2.0 3,-1.2 1,-0.3 -2,-0.2 0.813 108.9 60.5 -60.9 -33.3 11.5 10.4 14.3 102 225 A Y H 3< S+ 0 0 117 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.764 111.8 41.1 -59.7 -31.8 14.7 9.8 12.3 103 226 A Y T << 0 0 190 -3,-1.5 -1,-0.3 -4,-0.9 -2,-0.2 -0.397 360.0 360.0-115.6 44.6 15.2 13.6 12.4 104 227 A Q < 0 0 196 -3,-1.2 -1,-0.1 0, 0.0 -4,-0.0 -0.603 360.0 360.0-139.7 360.0 14.2 14.2 16.0