==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 11-NOV-04 1XYX . COMPND 2 MOLECULE: MAJOR PRION PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR A.D.GOSSERT,S.BONJOUR,D.A.LYSEK,F.FIORITO,K.WUTHRICH . 112 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7846.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 73 65.2 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 . 8 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 45.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.8 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 1 0 0 0 0 0 0 0 0 0 0 0 1 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 1 121 A V >> 0 0 127 0, 0.0 4,-2.1 0, 0.0 5,-0.7 0.000 360.0 360.0 360.0 43.9 15.5 -9.3 13.2 2 122 A V T 45 - 0 0 72 1,-0.3 2,-1.8 2,-0.2 5,-0.1 0.885 360.0 -64.5 48.1 45.3 12.1 -7.6 12.4 3 123 A G T 45S- 0 0 84 1,-0.2 -1,-0.3 2,-0.1 0, 0.0 -0.305 116.3 -24.5 81.2 -55.8 10.5 -11.0 11.8 4 124 A G T 45S+ 0 0 52 -2,-1.8 -2,-0.2 -3,-0.4 -1,-0.2 -0.001 98.6 112.0 172.6 59.7 12.8 -11.7 8.8 5 125 A L T <5 - 0 0 16 -4,-2.1 2,-1.0 3,-0.1 3,-0.2 0.474 69.4-132.2-109.3 -15.5 14.2 -8.6 7.0 6 126 A G S S+ 0 0 141 -3,-0.1 4,-1.7 -2,-0.1 5,-0.1 0.713 96.5 45.0-113.8 -51.5 -10.5 9.8 -11.4 25 145 A W H > S+ 0 0 143 2,-0.2 4,-2.8 1,-0.2 5,-0.1 0.812 110.0 56.9 -68.6 -29.9 -12.1 6.6 -10.0 26 146 A E H > S+ 0 0 14 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.931 106.5 49.4 -66.3 -45.3 -8.7 5.2 -8.9 27 147 A D H > S+ 0 0 19 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.877 115.2 44.2 -59.8 -41.7 -8.0 8.3 -6.8 28 148 A R H X S+ 0 0 155 -4,-1.7 4,-1.1 2,-0.2 -2,-0.2 0.921 112.5 51.2 -70.6 -43.2 -11.5 8.0 -5.2 29 149 A Y H >X S+ 0 0 51 -4,-2.8 4,-1.2 2,-0.2 3,-1.1 0.946 111.7 48.3 -54.8 -53.5 -11.1 4.2 -4.7 30 150 A Y H >X S+ 0 0 10 -4,-3.0 4,-1.7 1,-0.3 3,-1.1 0.927 107.1 55.5 -53.4 -50.6 -7.8 4.8 -3.0 31 151 A R H 3< S+ 0 0 130 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.708 112.5 43.2 -62.5 -19.4 -9.3 7.5 -0.8 32 152 A E H << S+ 0 0 123 -3,-1.1 -1,-0.3 -4,-1.1 -2,-0.2 0.714 124.2 34.2 -89.3 -22.1 -11.9 5.0 0.5 33 153 A N H X< S+ 0 0 37 -4,-1.2 3,-2.6 -3,-1.1 -2,-0.2 0.348 74.7 115.0-123.1 -0.2 -9.5 2.0 0.9 34 154 A M G >< + 0 0 59 -4,-1.7 3,-1.5 1,-0.3 -1,-0.1 0.685 67.3 72.8 -52.3 -25.8 -6.2 3.6 2.1 35 155 A Y G 3 S+ 0 0 171 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.691 83.6 69.5 -62.6 -22.1 -6.5 1.8 5.5 36 156 A R G < S+ 0 0 80 -3,-2.6 -1,-0.3 2,-0.1 -2,-0.2 0.520 92.6 69.7 -73.6 -8.8 -5.7 -1.6 3.7 37 157 A Y S < S- 0 0 14 -3,-1.5 45,-0.0 -4,-0.2 49,-0.0 -0.721 94.1 -89.7-115.1 160.0 -2.0 -0.5 3.1 38 158 A P - 0 0 28 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.203 13.8-142.0 -74.3 163.7 0.7 0.0 5.7 39 159 A N S S+ 0 0 98 -26,-0.1 2,-0.3 -4,-0.1 -25,-0.1 0.731 87.0 38.8 -82.3 -27.6 1.6 3.2 7.6 40 160 A Q - 0 0 81 -27,-0.2 2,-0.2 -29,-0.1 -27,-0.2 -0.836 68.6-150.1-135.4 159.6 5.3 2.5 7.4 41 161 A V - 0 0 0 -29,-0.4 -30,-3.1 -2,-0.3 2,-0.4 -0.802 15.6-119.0-136.2 165.5 7.9 1.2 4.8 42 162 A Y E +A 10 0A 33 -2,-0.2 -32,-0.2 -32,-0.2 2,-0.2 -0.917 43.5 132.5-115.8 135.8 11.2 -0.7 4.8 43 163 A Y E -A 9 0A 6 -34,-1.8 -34,-2.3 -2,-0.4 13,-0.0 -0.772 49.2 -90.3-157.7-168.0 14.5 0.5 3.3 44 164 A R - 0 0 119 -36,-0.2 -36,-0.1 -2,-0.2 2,-0.0 -0.814 50.8 -91.5-112.5 161.2 18.3 0.9 3.9 45 165 A P > - 0 0 45 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.368 28.8-118.1 -69.3 157.8 20.0 4.0 5.5 46 166 A V G > S+ 0 0 44 1,-0.3 3,-0.7 3,-0.1 4,-0.2 0.733 109.5 82.2 -65.3 -17.0 21.2 6.9 3.3 47 167 A D G 3 S+ 0 0 147 1,-0.3 -1,-0.3 2,-0.1 2,-0.2 0.740 107.7 22.5 -54.5 -28.3 24.6 5.9 4.8 48 168 A Q G < S+ 0 0 146 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.1 -0.687 90.7 123.4-142.8 82.7 24.7 3.2 2.1 49 169 A Y < + 0 0 24 -3,-0.7 2,-0.7 -2,-0.2 6,-0.1 0.849 16.3 155.5-111.2 -55.6 22.3 4.3 -0.7 50 170 A S + 0 0 120 -4,-0.2 2,-0.2 4,-0.1 -1,-0.1 -0.432 65.6 42.3 48.1-100.7 23.9 4.6 -4.2 51 171 A N > - 0 0 91 -2,-0.7 4,-0.7 1,-0.2 5,-0.1 -0.498 55.8-163.5 -72.1 137.1 20.9 4.2 -6.6 52 172 A Q H > S+ 0 0 82 -2,-0.2 4,-3.0 3,-0.1 3,-0.3 0.971 94.5 45.2 -67.9 -62.1 17.6 5.9 -6.0 53 173 A N H > S+ 0 0 127 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.867 115.1 44.2 -51.0 -52.8 15.8 3.5 -8.5 54 174 A N H > S+ 0 0 108 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.883 116.9 45.6 -67.4 -38.3 17.3 0.3 -7.4 55 175 A F H X S+ 0 0 22 -4,-0.7 4,-2.4 -3,-0.3 -1,-0.2 0.900 113.7 50.8 -64.6 -47.5 16.8 1.0 -3.7 56 176 A V H X S+ 0 0 10 -4,-3.0 4,-3.0 2,-0.2 -2,-0.2 0.966 112.6 45.1 -55.9 -56.7 13.2 2.3 -4.3 57 177 A H H X S+ 0 0 119 -4,-3.0 4,-3.0 1,-0.2 5,-0.2 0.889 111.8 51.5 -59.1 -44.1 12.3 -0.9 -6.3 58 178 A D H X S+ 0 0 59 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.896 113.8 45.3 -64.8 -36.7 13.9 -3.2 -3.7 59 179 A C H X S+ 0 0 1 -4,-2.4 4,-3.1 2,-0.2 5,-0.4 0.963 111.9 51.6 -61.2 -54.2 11.9 -1.4 -1.0 60 180 A V H X S+ 0 0 9 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.911 114.0 43.9 -51.6 -47.6 8.7 -1.5 -3.1 61 181 A N H X S+ 0 0 88 -4,-3.0 4,-3.4 1,-0.2 -1,-0.2 0.890 114.9 48.8 -64.9 -45.8 9.1 -5.3 -3.6 62 182 A I H X S+ 0 0 16 -4,-2.1 4,-2.7 -5,-0.2 -2,-0.2 0.866 114.9 42.1 -70.4 -39.8 10.0 -6.0 0.0 63 183 A T H X S+ 0 0 5 -4,-3.1 4,-2.7 2,-0.2 5,-0.2 0.912 117.5 48.8 -72.8 -37.2 7.1 -4.0 1.6 64 184 A I H X S+ 0 0 22 -4,-2.5 4,-3.1 -5,-0.4 -2,-0.2 0.956 112.7 49.7 -58.6 -50.0 4.8 -5.4 -1.1 65 185 A K H < S+ 0 0 88 -4,-3.4 4,-0.4 2,-0.2 -2,-0.2 0.949 110.5 48.8 -50.3 -60.8 6.2 -8.8 -0.2 66 186 A Q H >X>S+ 0 0 19 -4,-2.7 3,-1.3 1,-0.2 4,-1.0 0.910 114.8 42.9 -57.5 -47.1 5.7 -8.3 3.5 67 187 A H H 3<>S+ 0 0 41 -4,-2.7 5,-0.7 1,-0.3 4,-0.5 0.945 120.0 44.7 -61.4 -40.1 2.1 -7.2 3.2 68 188 A T T 3<5S+ 0 0 43 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.2 0.317 132.1 21.8 -83.3 5.3 1.5 -10.1 0.6 69 189 A V T <>5S+ 0 0 69 -3,-1.3 4,-3.0 -4,-0.4 5,-0.2 0.482 121.0 47.3-133.0 -70.3 3.4 -12.6 2.9 70 190 A T T <5S+ 0 0 74 -4,-1.0 -3,-0.2 1,-0.2 -2,-0.1 0.489 130.0 30.4 -66.8 -0.3 3.6 -11.6 6.6 71 191 A T T >>XS+ 0 0 14 -5,-0.6 4,-2.0 -4,-0.5 3,-1.8 0.611 117.5 55.6-115.6 -42.0 -0.2 -10.9 6.3 72 192 A T T 34 - 0 0 73 -2,-0.1 4,-3.3 1,-0.1 5,-0.2 -0.910 39.7 -98.0-134.0 167.4 -6.2 -7.9 -5.9 80 200 A E H > S+ 0 0 167 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.900 128.2 52.9 -52.2 -39.4 -4.0 -6.8 -8.9 81 201 A T H > S+ 0 0 48 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.963 112.2 40.9 -64.6 -52.5 -5.8 -3.5 -8.7 82 202 A D H > S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.924 115.3 55.0 -60.2 -40.0 -5.0 -3.0 -4.9 83 203 A V H X S+ 0 0 41 -4,-3.3 4,-2.7 1,-0.2 -2,-0.2 0.899 109.1 44.6 -61.8 -45.4 -1.5 -4.3 -5.6 84 204 A K H X S+ 0 0 79 -4,-2.9 4,-1.3 2,-0.2 -1,-0.2 0.849 112.9 51.6 -68.7 -32.7 -0.8 -1.7 -8.4 85 205 A M H X S+ 0 0 1 -4,-1.9 4,-2.1 -5,-0.2 3,-0.2 0.912 109.5 51.2 -68.4 -39.6 -2.3 1.0 -6.2 86 206 A M H X S+ 0 0 3 -4,-2.8 4,-3.5 2,-0.2 5,-0.4 0.938 102.0 59.4 -57.7 -50.7 0.1 -0.3 -3.4 87 207 A E H X S+ 0 0 97 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.848 109.0 46.0 -48.9 -36.9 3.1 -0.0 -5.9 88 208 A R H X S+ 0 0 129 -4,-1.3 4,-2.6 -3,-0.2 -1,-0.2 0.939 118.0 41.4 -67.6 -50.3 2.2 3.7 -6.2 89 209 A V H X S+ 0 0 4 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.920 113.1 51.2 -66.2 -46.5 1.9 4.1 -2.4 90 210 A V H X S+ 0 0 2 -4,-3.5 4,-2.7 1,-0.2 -1,-0.2 0.902 113.8 47.3 -61.8 -41.7 4.9 2.0 -1.4 91 211 A E H X S+ 0 0 79 -4,-1.5 4,-3.5 -5,-0.4 5,-0.3 0.972 112.3 47.0 -60.6 -59.0 7.0 4.1 -3.8 92 212 A Q H X S+ 0 0 74 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.889 117.3 44.0 -56.7 -43.3 5.7 7.5 -2.6 93 213 A M H X S+ 0 0 6 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.931 116.5 46.4 -61.9 -49.0 6.2 6.5 1.0 94 214 A C H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.3 -2,-0.2 0.922 114.7 47.7 -58.8 -48.0 9.6 4.9 0.3 95 215 A V H X S+ 0 0 23 -4,-3.5 4,-3.0 1,-0.2 5,-0.2 0.978 111.9 50.0 -57.3 -57.0 10.7 8.0 -1.8 96 216 A T H X S+ 0 0 52 -4,-2.8 4,-3.2 -5,-0.3 -2,-0.2 0.864 108.8 52.0 -53.5 -44.6 9.5 10.3 1.0 97 217 A Q H X S+ 0 0 3 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.930 113.3 44.1 -62.9 -43.3 11.4 8.4 3.7 98 218 A Y H X S+ 0 0 31 -4,-2.3 4,-3.3 2,-0.2 5,-0.4 0.952 115.1 49.5 -56.8 -50.8 14.6 8.7 1.6 99 219 A Q H X S+ 0 0 100 -4,-3.0 4,-2.7 1,-0.2 5,-0.3 0.900 110.1 51.2 -61.0 -42.5 13.9 12.3 0.9 100 220 A K H X S+ 0 0 102 -4,-3.2 4,-1.7 -5,-0.2 -1,-0.2 0.947 118.8 35.5 -53.7 -57.4 13.2 13.0 4.6 101 221 A E H X S+ 0 0 57 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.855 121.4 45.3 -74.6 -38.9 16.5 11.5 5.8 102 222 A S H X S+ 0 0 7 -4,-3.3 4,-3.2 -5,-0.2 5,-0.2 0.895 111.6 52.6 -74.8 -39.3 18.7 12.6 2.8 103 223 A Q H X S+ 0 0 127 -4,-2.7 4,-2.8 -5,-0.4 5,-0.4 0.895 104.2 57.5 -60.0 -37.7 17.2 16.1 2.9 104 224 A A H X S+ 0 0 66 -4,-1.7 4,-1.1 -5,-0.3 -2,-0.2 0.931 112.3 41.7 -57.9 -40.8 18.2 16.1 6.6 105 225 A Y H < S+ 0 0 182 -4,-1.4 3,-0.4 2,-0.2 -2,-0.2 0.974 118.4 43.7 -61.6 -59.1 21.8 15.4 5.3 106 226 A Y H < S+ 0 0 155 -4,-3.2 -2,-0.2 1,-0.3 -3,-0.2 0.702 120.6 41.6 -66.6 -25.0 21.6 17.9 2.3 107 227 A D H >< S+ 0 0 99 -4,-2.8 2,-2.5 -5,-0.2 3,-0.6 0.679 92.7 93.1 -85.1 -24.2 19.9 20.6 4.6 108 228 A G T 3< + 0 0 62 -4,-1.1 -1,-0.1 -3,-0.4 -2,-0.1 -0.276 68.7 71.3 -77.4 50.1 22.4 19.6 7.4 109 229 A R T 3 + 0 0 185 -2,-2.5 -1,-0.3 -3,-0.1 -4,-0.1 -0.093 68.7 101.5-149.7 20.6 24.9 22.3 6.4 110 230 A R < + 0 0 172 -3,-0.6 2,-1.9 2,-0.0 -2,-0.1 -0.436 22.5 146.6-120.4 55.6 22.8 25.3 7.6 111 231 A S 0 0 132 1,-0.2 -3,-0.0 -3,-0.0 -1,-0.0 -0.685 360.0 360.0 -74.8 67.7 24.3 26.2 10.9 112 232 A S 0 0 131 -2,-1.9 -1,-0.2 0, 0.0 -2,-0.0 0.058 360.0 360.0-133.2 360.0 23.3 29.7 9.6