==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PRION PROTEIN 20-SEP-99 1QM3 . COMPND 2 MOLECULE: PRION PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.ZAHN,A.LIU,T.LUHRS,K.WUTHRICH . 104 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7574.0 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 . 6 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 45.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 1 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 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 1 125 A L 0 0 124 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 76.9 4.8 -7.8 -1.4 2 126 A G + 0 0 60 1,-0.1 3,-0.1 3,-0.0 0, 0.0 -0.467 360.0 75.2-118.0-146.6 7.3 -7.3 1.4 3 127 A G S S+ 0 0 58 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.804 82.0 99.5 41.4 44.8 10.0 -4.6 1.9 4 128 A Y - 0 0 98 -3,-0.1 2,-0.2 36,-0.0 -1,-0.2 -0.974 57.6-144.8-146.2 159.1 7.5 -1.9 2.8 5 129 A M E -A 39 0A 88 34,-1.6 34,-2.2 -2,-0.3 2,-0.4 -0.681 17.8-122.8-120.1 171.5 6.1 -0.2 5.9 6 130 A L E -A 38 0A 87 32,-0.2 32,-0.2 -2,-0.2 3,-0.1 -0.961 24.8-143.5-122.3 129.0 2.7 1.1 6.8 7 131 A G - 0 0 8 30,-1.4 -1,-0.1 -2,-0.4 86,-0.0 0.007 38.8 -64.5 -79.1-170.1 2.2 4.8 7.9 8 132 A S - 0 0 82 1,-0.1 29,-0.4 85,-0.1 -1,-0.2 -0.260 61.9-100.1 -61.0 172.3 -0.1 6.3 10.5 9 133 A A - 0 0 40 27,-0.1 2,-0.3 -3,-0.1 27,-0.2 -0.520 33.1-158.7 -90.4 159.0 -3.8 6.0 9.8 10 134 A M - 0 0 23 25,-1.7 2,-0.6 -2,-0.2 79,-0.1 -0.918 37.5 -80.0-135.0 161.2 -6.0 8.8 8.4 11 135 A S - 0 0 112 -2,-0.3 24,-0.0 1,-0.1 -2,-0.0 -0.523 52.9-108.6 -72.7 111.7 -9.8 9.4 8.6 12 136 A R - 0 0 53 -2,-0.6 2,-0.1 1,-0.1 -1,-0.1 -0.119 43.8-133.8 -43.6 104.8 -11.5 7.2 5.9 13 137 A P - 0 0 24 0, 0.0 2,-1.1 0, 0.0 -1,-0.1 -0.456 1.3-132.5 -77.6 148.0 -12.6 9.9 3.4 14 138 A I - 0 0 69 -2,-0.1 2,-0.3 71,-0.0 9,-0.1 -0.726 25.1-174.8-103.0 81.2 -16.1 10.0 1.9 15 139 A I - 0 0 29 -2,-1.1 2,-0.4 66,-0.1 70,-0.1 -0.656 27.9-124.5 -69.2 133.8 -15.4 10.5 -1.8 16 140 A H - 0 0 137 -2,-0.3 4,-0.1 1,-0.1 -1,-0.0 -0.730 19.8-165.6 -89.5 129.1 -18.9 11.0 -3.4 17 141 A F - 0 0 66 -2,-0.4 -1,-0.1 2,-0.4 3,-0.1 0.524 57.5 -97.9 -88.5 -6.2 -19.7 8.6 -6.2 18 142 A G S S+ 0 0 70 1,-0.2 2,-0.3 2,-0.0 -2,-0.1 0.421 102.9 79.1 104.8 7.5 -22.7 10.9 -7.2 19 143 A S S >> S- 0 0 71 1,-0.1 4,-1.1 0, 0.0 3,-0.5 -0.985 73.8-137.7-149.2 125.0 -25.3 8.8 -5.3 20 144 A D H 3> S+ 0 0 114 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.809 101.6 62.6 -58.4 -29.2 -26.1 8.9 -1.6 21 145 A Y H 3> S+ 0 0 159 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.909 102.9 46.6 -66.7 -43.1 -26.4 5.1 -1.5 22 146 A E H <> S+ 0 0 62 -3,-0.5 4,-1.5 2,-0.2 -1,-0.2 0.816 114.3 51.4 -62.6 -29.2 -22.8 4.4 -2.6 23 147 A D H X S+ 0 0 28 -4,-1.1 4,-2.6 2,-0.2 -2,-0.2 0.969 117.2 36.0 -73.5 -55.9 -21.8 7.0 0.0 24 148 A R H X S+ 0 0 128 -4,-2.8 4,-2.6 2,-0.2 5,-0.4 0.802 111.8 59.4 -69.9 -37.3 -23.8 5.4 2.9 25 149 A Y H X S+ 0 0 108 -4,-2.9 4,-1.4 -5,-0.2 -1,-0.2 0.971 115.1 37.1 -59.4 -54.2 -23.2 1.7 1.8 26 150 A Y H < S+ 0 0 0 -4,-1.5 -2,-0.2 -5,-0.2 7,-0.2 0.949 115.0 58.5 -51.2 -57.9 -19.4 2.4 2.1 27 151 A R H >< S+ 0 0 130 -4,-2.6 3,-1.5 1,-0.3 4,-0.2 0.861 107.4 40.9 -54.3 -54.3 -19.9 4.6 5.2 28 152 A E H 3< S+ 0 0 139 -4,-2.6 3,-0.5 1,-0.3 -1,-0.3 0.929 124.1 42.0 -59.8 -38.2 -21.7 2.1 7.5 29 153 A N T >X S+ 0 0 50 -4,-1.4 3,-2.4 -5,-0.4 4,-1.0 0.223 80.9 112.5 -86.2 14.5 -19.2 -0.6 6.3 30 154 A M T <4 + 0 0 36 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.731 64.3 70.9 -74.0 -16.7 -16.3 1.9 6.4 31 155 A H T 34 S+ 0 0 144 -3,-0.5 -1,-0.3 -4,-0.2 -2,-0.1 0.750 99.4 48.9 -57.7 -33.0 -14.8 -0.2 9.3 32 156 A R T <4 S+ 0 0 133 -3,-2.4 -2,-0.2 -6,-0.2 -1,-0.2 0.906 96.7 82.4 -75.4 -47.1 -14.2 -2.9 6.6 33 157 A Y S < S- 0 0 9 -4,-1.0 -21,-0.1 -7,-0.2 45,-0.0 -0.213 95.0 -90.9 -62.6 150.1 -12.5 -0.5 4.1 34 158 A P - 0 0 17 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.236 30.9-173.1 -62.4 150.9 -8.7 0.3 4.6 35 159 A N + 0 0 42 -23,-0.1 -25,-1.7 -4,-0.1 2,-0.3 0.213 68.3 48.5-129.4 6.6 -7.5 3.2 6.8 36 160 A Q - 0 0 64 -27,-0.2 2,-0.3 23,-0.0 -27,-0.1 -0.949 66.2-145.2-141.4 163.9 -3.7 3.0 6.1 37 161 A V - 0 0 0 -29,-0.4 -30,-1.4 -2,-0.3 2,-0.3 -0.959 24.0-110.1-134.1 146.1 -1.4 2.7 3.0 38 162 A Y E +A 6 0A 65 17,-0.4 -32,-0.2 -2,-0.3 2,-0.2 -0.615 56.1 143.4 -72.6 129.5 1.9 1.0 2.2 39 163 A Y E -A 5 0A 41 -34,-2.2 -34,-1.6 -2,-0.3 51,-0.0 -0.822 41.5-116.2-150.2-175.6 4.7 3.7 1.7 40 164 A R - 0 0 112 -2,-0.2 2,-0.9 -36,-0.1 -36,-0.0 -0.910 43.1 -88.5-125.4 161.1 8.4 4.4 2.4 41 165 A P S S- 0 0 90 0, 0.0 2,-0.3 0, 0.0 -34,-0.0 -0.621 101.4 -40.0 -68.3 104.8 10.2 7.1 4.5 42 166 A M S S- 0 0 50 -2,-0.9 3,-0.0 52,-0.1 59,-0.0 0.196 89.3-136.1 59.6 -9.2 10.4 10.0 1.9 43 167 A D - 0 0 48 -2,-0.3 3,-0.1 1,-0.2 -4,-0.0 -0.133 21.5 -94.1 51.7-160.0 11.3 7.4 -0.9 44 168 A E S S+ 0 0 181 1,-0.4 2,-0.3 -4,-0.0 -1,-0.2 0.431 111.2 39.4-124.2 -13.5 14.1 8.3 -3.3 45 169 A Y S S- 0 0 158 2,-0.0 -1,-0.4 -3,-0.0 2,-0.3 -0.985 77.5-153.4-143.2 126.2 12.0 9.8 -6.1 46 170 A S - 0 0 68 -2,-0.3 2,-0.3 -3,-0.1 -3,-0.1 -0.848 15.5-177.9-113.9 141.0 9.0 12.0 -5.2 47 171 A N - 0 0 57 -2,-0.3 5,-0.3 1,-0.2 4,-0.1 -0.999 34.8-135.7-147.1 148.1 5.9 12.6 -7.3 48 172 A Q S S- 0 0 164 -2,-0.3 4,-0.2 3,-0.1 -1,-0.2 0.948 101.2 -16.0 -55.8 -67.8 2.6 14.4 -7.5 49 173 A N S > S+ 0 0 83 2,-0.1 4,-2.7 3,-0.1 -1,-0.1 0.616 123.1 74.9-122.3 -23.2 0.4 11.5 -8.7 50 174 A N H > S+ 0 0 99 2,-0.2 4,-1.5 1,-0.2 5,-0.2 0.828 98.9 53.3 -66.2 -28.9 2.7 8.7 -10.0 51 175 A F H > S+ 0 0 22 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.978 109.3 48.1 -61.8 -57.9 3.5 8.0 -6.3 52 176 A V H > S+ 0 0 1 -5,-0.3 4,-3.2 -4,-0.2 5,-0.4 0.884 104.3 62.3 -45.6 -50.9 -0.2 7.7 -5.6 53 177 A H H X S+ 0 0 97 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.908 117.7 26.2 -44.6 -58.2 -0.6 5.4 -8.7 54 178 A D H X S+ 0 0 77 -4,-1.5 4,-2.6 2,-0.2 5,-0.3 0.863 119.2 57.1 -79.6 -39.2 1.7 2.7 -7.2 55 179 A a H X S+ 0 0 5 -4,-3.1 4,-1.7 1,-0.2 -17,-0.4 0.928 115.9 39.5 -54.0 -47.9 1.1 3.5 -3.5 56 180 A V H X S+ 0 0 2 -4,-3.2 4,-3.4 -5,-0.3 5,-0.3 0.965 112.4 56.4 -63.9 -54.9 -2.6 2.9 -4.2 57 181 A N H X S+ 0 0 66 -4,-2.4 4,-3.2 -5,-0.4 5,-0.2 0.889 111.4 41.7 -50.5 -53.4 -2.1 -0.1 -6.5 58 182 A I H X S+ 0 0 34 -4,-2.6 4,-2.6 1,-0.2 -1,-0.3 0.902 118.5 45.3 -61.5 -46.7 -0.1 -2.1 -3.9 59 183 A T H X S+ 0 0 7 -4,-1.7 4,-1.1 -5,-0.3 -2,-0.2 0.919 116.4 46.0 -65.7 -45.3 -2.4 -1.1 -1.0 60 184 A I H >X S+ 0 0 11 -4,-3.4 4,-2.1 2,-0.2 3,-1.3 0.975 114.7 47.7 -56.4 -56.8 -5.6 -1.8 -3.1 61 185 A K H 3X S+ 0 0 95 -4,-3.2 4,-2.7 1,-0.3 5,-0.2 0.882 104.0 60.8 -58.2 -42.1 -4.2 -5.1 -4.4 62 186 A Q H 3X S+ 0 0 45 -4,-2.6 4,-0.8 -5,-0.2 -1,-0.3 0.789 110.3 42.2 -60.7 -28.6 -3.1 -6.2 -0.9 63 187 A H H X S+ 0 0 73 -4,-2.7 4,-1.2 2,-0.2 3,-0.6 0.992 118.3 40.1 -73.1 -68.3 -5.7 -10.7 -2.9 66 190 A T H >X S+ 0 0 50 -4,-0.8 4,-1.9 1,-0.2 3,-0.7 0.859 110.6 57.9 -44.9 -53.8 -6.2 -11.5 0.8 67 191 A T H 3<>S+ 0 0 14 -4,-3.0 5,-2.7 1,-0.3 3,-0.4 0.901 101.9 56.5 -51.2 -40.5 -9.9 -10.8 0.8 68 192 A T H X<5S+ 0 0 98 -4,-1.0 3,-0.8 -3,-0.6 -1,-0.3 0.903 114.0 39.6 -56.7 -41.5 -10.4 -13.5 -1.9 69 193 A T H <<5S+ 0 0 113 -4,-1.2 -1,-0.2 -3,-0.7 -2,-0.2 0.642 105.3 64.6 -94.1 -11.3 -8.7 -16.0 0.5 70 194 A K T 3<5S- 0 0 163 -4,-1.9 -1,-0.3 -3,-0.4 -2,-0.2 0.120 123.9-104.3 -88.9 23.1 -10.4 -14.7 3.6 71 195 A G T < 5S+ 0 0 68 -3,-0.8 2,-0.5 -5,-0.2 -3,-0.2 0.760 84.1 129.2 65.7 25.4 -13.6 -15.9 1.9 72 196 A E < - 0 0 70 -5,-2.7 2,-1.0 -6,-0.2 -2,-0.2 -0.920 49.5-151.6-117.6 97.4 -14.7 -12.3 0.9 73 197 A N - 0 0 134 -2,-0.5 2,-0.5 -3,-0.1 5,-0.1 -0.583 17.3-166.2 -70.9 96.4 -15.6 -12.2 -2.8 74 198 A F - 0 0 38 -2,-1.0 2,-0.1 -10,-0.2 -6,-0.1 -0.807 3.4-162.8 -95.6 122.9 -14.8 -8.5 -3.7 75 199 A T > - 0 0 70 -2,-0.5 4,-1.0 1,-0.0 3,-0.2 -0.223 43.0 -79.2 -93.0-178.0 -16.1 -7.3 -7.0 76 200 A E H > S+ 0 0 147 1,-0.2 4,-3.4 2,-0.2 3,-0.5 0.852 133.0 49.9 -49.9 -39.4 -15.2 -4.2 -9.2 77 201 A T H > S+ 0 0 66 1,-0.2 4,-2.0 2,-0.2 5,-0.3 0.874 105.5 55.1 -74.3 -35.2 -17.4 -2.0 -6.8 78 202 A D H 4 S+ 0 0 30 -3,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.643 119.8 35.6 -71.1 -12.1 -15.7 -3.4 -3.7 79 203 A V H X S+ 0 0 32 -4,-1.0 4,-2.6 -3,-0.5 -2,-0.2 0.812 115.3 51.6 -99.6 -50.3 -12.4 -2.3 -5.4 80 204 A K H X S+ 0 0 120 -4,-3.4 4,-1.2 2,-0.2 -3,-0.2 0.777 109.9 51.0 -64.7 -32.5 -13.4 0.9 -7.2 81 205 A M H X S+ 0 0 2 -4,-2.0 4,-1.2 -5,-0.2 3,-0.4 0.984 113.6 44.7 -61.2 -60.0 -14.9 2.3 -3.9 82 206 A M H > S+ 0 0 0 -5,-0.3 4,-3.1 -4,-0.3 5,-0.3 0.826 103.8 67.1 -48.6 -42.3 -11.7 1.6 -2.1 83 207 A E H X S+ 0 0 69 -4,-2.6 4,-2.8 1,-0.3 -1,-0.2 0.928 101.4 45.1 -51.8 -56.1 -9.6 3.0 -5.0 84 208 A R H X S+ 0 0 130 -4,-1.2 4,-2.1 -3,-0.4 -1,-0.3 0.846 116.1 48.6 -55.0 -41.3 -10.8 6.7 -4.5 85 209 A V H X S+ 0 0 0 -4,-1.2 4,-2.7 -3,-0.2 -2,-0.2 0.937 111.8 46.2 -67.0 -51.4 -10.3 6.2 -0.7 86 210 A V H X S+ 0 0 1 -4,-3.1 4,-2.9 2,-0.2 -2,-0.2 0.880 109.4 57.6 -61.9 -37.4 -6.7 4.7 -1.1 87 211 A E H X S+ 0 0 68 -4,-2.8 4,-2.5 -5,-0.3 -2,-0.2 0.965 110.1 43.7 -56.3 -55.0 -5.9 7.6 -3.6 88 212 A Q H X S+ 0 0 78 -4,-2.1 4,-3.2 2,-0.2 5,-0.2 0.924 112.8 51.7 -48.3 -62.0 -6.8 10.1 -0.9 89 213 A M H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.894 111.5 47.0 -48.8 -42.7 -4.9 8.2 1.8 90 214 A a H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.902 113.1 49.0 -69.0 -38.9 -1.8 8.1 -0.5 91 215 A I H X S+ 0 0 52 -4,-2.5 4,-2.9 -5,-0.2 5,-0.3 0.970 114.6 45.9 -56.6 -56.9 -2.1 11.9 -1.2 92 216 A T H X S+ 0 0 40 -4,-3.2 4,-1.7 1,-0.2 -2,-0.2 0.862 114.3 47.9 -53.3 -45.0 -2.5 12.5 2.5 93 217 A Q H X S+ 0 0 8 -4,-2.5 4,-1.5 -5,-0.2 5,-0.3 0.936 113.6 46.0 -68.6 -48.1 0.5 10.2 3.4 94 218 A Y H >X S+ 0 0 53 -4,-2.6 4,-2.7 1,-0.2 3,-0.9 0.978 117.5 44.0 -51.7 -60.3 2.8 11.8 0.7 95 219 A E H 3X S+ 0 0 112 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.767 110.3 58.6 -60.3 -27.9 1.7 15.3 1.8 96 220 A R H 3< S+ 0 0 122 -4,-1.7 -1,-0.2 -5,-0.3 4,-0.2 0.794 119.2 24.3 -78.6 -31.6 2.0 14.3 5.6 97 221 A E H XX S+ 0 0 94 -4,-1.5 3,-0.9 -3,-0.9 4,-0.5 0.805 120.7 55.3 -99.5 -39.0 5.7 13.3 5.6 98 222 A S H >< S+ 0 0 35 -4,-2.7 3,-1.2 -5,-0.3 4,-0.5 0.863 100.8 62.5 -62.7 -32.8 6.9 15.3 2.6 99 223 A Q G >< S+ 0 0 130 -4,-1.3 3,-1.1 -5,-0.4 -1,-0.3 0.883 101.0 52.5 -55.1 -38.6 5.5 18.5 4.3 100 224 A A G X4 S+ 0 0 41 -3,-0.9 3,-1.3 1,-0.3 -1,-0.2 0.590 88.3 76.9 -87.6 2.4 8.0 17.9 7.2 101 225 A Y G << S+ 0 0 177 -3,-1.2 3,-0.4 -4,-0.5 -1,-0.3 0.773 97.8 49.5 -71.9 -22.9 11.0 17.7 4.8 102 226 A Y G < S+ 0 0 219 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.094 108.5 54.0 -99.6 15.8 10.7 21.5 4.7 103 227 A Q < 0 0 170 -3,-1.3 -1,-0.2 1,-0.0 -2,-0.2 0.101 360.0 360.0-137.7 15.7 10.5 21.8 8.6 104 228 A R 0 0 249 -3,-0.4 -2,-0.1 -4,-0.0 -3,-0.1 0.428 360.0 360.0 -92.7 360.0 13.7 19.9 9.6