==== 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 1QLZ . 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) . 7405.0 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 . 5 4.8 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 . 49 47.1 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 0 1 0 0 0 0 0 0 1 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 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 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 91 0, 0.0 3,-0.2 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -84.4 5.0 -10.8 2.7 2 126 A G + 0 0 91 2,-0.3 3,-0.1 1,-0.3 0, 0.0 0.281 360.0 33.7 79.5 -5.5 7.2 -11.8 5.7 3 127 A G S S+ 0 0 56 1,-0.2 -1,-0.3 2,-0.0 0, 0.0 0.382 100.2 77.2-126.5 -71.4 9.0 -8.5 5.9 4 128 A Y - 0 0 81 -3,-0.2 -2,-0.3 1,-0.1 36,-0.2 0.049 65.7-169.4 -47.1 145.1 6.5 -5.8 4.9 5 129 A M E -A 39 0A 68 34,-1.7 34,-2.2 -4,-0.1 2,-0.4 -0.655 22.7-107.8-135.0 176.3 3.8 -4.8 7.6 6 130 A L E +A 38 0A 60 32,-0.2 32,-0.2 -2,-0.2 3,-0.1 -0.976 30.5 171.7-117.5 127.8 0.5 -2.9 8.4 7 131 A G E - 0 0 34 30,-0.8 2,-0.2 -2,-0.4 -1,-0.1 0.541 52.1 -7.4 -98.2-111.0 0.5 0.3 10.5 8 132 A S E - 0 0 51 1,-0.1 29,-0.9 28,-0.0 -1,-0.3 -0.528 53.9-131.5 -95.6 158.2 -2.7 2.3 10.8 9 133 A A E -A 36 0A 32 27,-0.2 27,-0.3 -2,-0.2 2,-0.2 -0.308 28.2-167.7 -78.2 174.4 -6.2 2.3 9.2 10 134 A M - 0 0 37 25,-2.3 2,-0.2 -2,-0.1 -1,-0.0 -0.795 31.6 -73.9-143.5-174.6 -7.8 5.5 7.8 11 135 A S - 0 0 99 -2,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.608 63.3 -92.7 -68.8 153.6 -11.0 7.0 6.6 12 136 A R - 0 0 93 -2,-0.2 2,-0.4 1,-0.1 23,-0.1 -0.612 42.2-124.9 -64.6 120.7 -12.1 5.7 3.1 13 137 A P - 0 0 26 0, 0.0 2,-1.1 0, 0.0 76,-0.1 -0.637 15.9-130.5 -69.1 127.6 -10.7 8.3 0.6 14 138 A I - 0 0 80 -2,-0.4 9,-0.1 71,-0.0 2,-0.1 -0.759 32.7-152.2 -76.8 99.8 -13.6 9.5 -1.6 15 139 A I - 0 0 10 -2,-1.1 2,-0.5 8,-0.1 3,-0.1 -0.347 5.9-136.1 -68.9 161.1 -11.8 8.9 -5.0 16 140 A H + 0 0 157 1,-0.1 4,-0.1 -2,-0.1 -1,-0.0 -0.923 33.3 161.7-123.2 104.3 -12.7 11.0 -8.0 17 141 A F - 0 0 71 -2,-0.5 -1,-0.1 2,-0.3 3,-0.1 0.466 64.0-112.4 -84.1 -9.4 -13.1 9.0 -11.2 18 142 A G S S+ 0 0 77 1,-0.2 2,-0.6 -3,-0.1 3,-0.1 -0.018 95.5 95.2 92.7 -22.4 -15.0 12.1 -12.5 19 143 A S >> - 0 0 66 1,-0.1 4,-1.7 2,-0.0 3,-0.7 -0.890 63.8-156.1-100.8 120.5 -18.3 10.1 -12.6 20 144 A D H 3> S+ 0 0 122 -2,-0.6 4,-2.6 1,-0.3 5,-0.2 0.805 97.7 66.1 -58.0 -30.5 -20.5 10.5 -9.5 21 145 A Y H 3> S+ 0 0 154 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.922 103.8 41.6 -50.3 -53.2 -21.8 7.1 -10.6 22 146 A E H <> S+ 0 0 53 -3,-0.7 4,-2.0 2,-0.2 -2,-0.2 0.775 111.5 56.7 -78.5 -25.7 -18.3 5.5 -9.9 23 147 A D H X S+ 0 0 19 -4,-1.7 4,-2.9 2,-0.2 3,-0.3 0.999 115.4 36.1 -58.0 -66.7 -17.9 7.4 -6.7 24 148 A R H X S+ 0 0 149 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.739 110.5 64.7 -66.1 -23.4 -21.2 6.0 -5.3 25 149 A Y H X S+ 0 0 101 -4,-1.7 4,-0.7 -5,-0.2 -1,-0.2 0.980 113.0 33.4 -62.2 -54.6 -20.5 2.6 -7.0 26 150 A Y H >X S+ 0 0 1 -4,-2.0 3,-1.6 -3,-0.3 4,-0.9 0.956 117.6 58.3 -57.5 -48.7 -17.4 2.2 -4.7 27 151 A R H 3< S+ 0 0 97 -4,-2.9 4,-0.2 1,-0.3 -2,-0.2 0.743 97.3 58.6 -62.0 -30.7 -19.3 4.1 -1.9 28 152 A E H 3< S+ 0 0 132 -4,-2.4 -1,-0.3 -3,-0.2 -2,-0.2 0.838 123.2 25.3 -62.2 -32.5 -22.2 1.6 -1.8 29 153 A N H XX S+ 0 0 27 -3,-1.6 3,-2.5 -4,-0.7 4,-0.6 0.357 87.1 116.8-110.8 0.2 -19.7 -1.2 -1.1 30 154 A M T 3< + 0 0 22 -4,-0.9 3,-0.2 1,-0.3 -3,-0.1 0.637 67.4 65.2 -56.7 -23.5 -16.9 0.8 0.6 31 155 A H T 34 S+ 0 0 146 1,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.849 103.2 48.6 -65.8 -33.0 -17.2 -0.9 4.0 32 156 A R T <4 S+ 0 0 170 -3,-2.5 -1,-0.2 2,-0.1 -2,-0.2 0.655 99.3 87.1 -78.8 -21.1 -16.0 -4.2 2.2 33 157 A Y S < S- 0 0 10 -4,-0.6 2,-0.0 -3,-0.2 -21,-0.0 -0.202 97.1 -72.3 -69.9 171.1 -13.1 -2.4 0.6 34 158 A P + 0 0 12 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.341 41.0 178.2 -63.2 147.8 -9.6 -2.0 2.2 35 159 A N + 0 0 53 1,-0.1 -25,-2.3 -3,-0.1 2,-0.3 0.342 67.4 45.9-132.1 -1.9 -9.4 0.6 5.1 36 160 A Q E S-A 9 0A 68 -27,-0.3 2,-0.3 23,-0.0 -27,-0.2 -0.918 75.0-134.6-135.0 165.8 -5.7 0.1 6.0 37 161 A V E - 0 0 0 -29,-0.9 -30,-0.8 -2,-0.3 2,-0.4 -0.941 8.2-130.2-130.9 142.6 -2.5 -0.1 3.8 38 162 A Y E +A 6 0A 64 -2,-0.3 21,-0.4 17,-0.3 -32,-0.2 -0.764 40.5 150.8 -95.8 128.8 0.5 -2.4 3.7 39 163 A Y E -A 5 0A 38 -34,-2.2 -34,-1.7 -2,-0.4 13,-0.0 -0.728 31.2-134.3-138.4-175.5 4.0 -0.6 3.6 40 164 A R - 0 0 68 -36,-0.2 -36,-0.1 -2,-0.2 15,-0.1 -0.958 34.1 -86.9-142.1 160.6 7.6 -1.3 4.7 41 165 A P - 0 0 60 0, 0.0 3,-0.2 0, 0.0 -37,-0.0 -0.233 31.3-125.6 -60.9 159.5 10.3 0.8 6.5 42 166 A M > + 0 0 27 1,-0.2 2,-2.2 2,-0.1 3,-0.7 0.977 51.5 153.3 -64.7 -56.1 12.5 3.1 4.4 43 167 A D T 3 S- 0 0 152 1,-0.3 -1,-0.2 -3,-0.0 3,-0.1 -0.394 79.6 -1.8 54.7 -63.4 15.7 1.5 5.9 44 168 A E T 3 S+ 0 0 180 -2,-2.2 -1,-0.3 -3,-0.2 -2,-0.1 0.779 128.9 26.4-103.4 -69.7 17.9 2.2 2.8 45 169 A Y < + 0 0 64 -3,-0.7 2,-0.3 6,-0.0 -1,-0.2 -0.296 50.4 179.2 -98.4 169.0 15.9 4.0 0.1 46 170 A S - 0 0 64 -2,-0.1 2,-0.2 -3,-0.1 -4,-0.0 -0.944 1.8-176.5-158.0 164.7 12.8 6.2 -0.4 47 171 A N - 0 0 65 -2,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.471 31.6-120.5-128.9-159.6 11.0 7.8 -3.4 48 172 A Q S S- 0 0 157 -2,-0.2 -1,-0.1 46,-0.0 4,-0.1 0.619 100.7 -4.4-112.3 -52.7 8.0 10.1 -3.7 49 173 A N S > S+ 0 0 91 3,-0.1 4,-2.4 2,-0.1 5,-0.1 0.675 122.8 69.4-108.3 -26.4 5.5 8.1 -5.9 50 174 A N H > S+ 0 0 110 2,-0.2 4,-0.8 1,-0.2 5,-0.0 0.843 100.8 45.5 -75.7 -31.3 7.4 4.9 -6.8 51 175 A F H > S+ 0 0 5 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.814 112.7 53.9 -75.3 -30.4 7.6 3.3 -3.4 52 176 A V H > S+ 0 0 1 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.935 106.0 51.6 -62.9 -42.6 3.9 4.2 -3.1 53 177 A H H X S+ 0 0 119 -4,-2.4 4,-0.9 2,-0.2 -2,-0.2 0.789 112.7 47.0 -65.7 -23.5 3.4 2.3 -6.4 54 178 A D H X S+ 0 0 51 -4,-0.8 4,-1.8 2,-0.2 -2,-0.2 0.943 112.5 48.1 -73.6 -54.5 5.3 -0.6 -4.7 55 179 A a H X S+ 0 0 5 -4,-3.1 4,-2.3 1,-0.2 -17,-0.3 0.856 109.0 53.5 -57.1 -42.2 3.2 -0.4 -1.5 56 180 A V H X S+ 0 0 12 -4,-2.8 4,-2.4 2,-0.2 5,-0.3 0.938 106.5 53.7 -59.0 -46.7 -0.1 -0.3 -3.5 57 181 A N H X S+ 0 0 90 -4,-0.9 4,-2.7 -5,-0.2 -2,-0.2 0.906 109.6 47.2 -56.2 -49.1 0.9 -3.5 -5.3 58 182 A I H X S+ 0 0 15 -4,-1.8 4,-3.1 2,-0.2 -1,-0.2 0.908 111.2 50.4 -59.1 -48.8 1.5 -5.3 -2.0 59 183 A T H X S+ 0 0 7 -4,-2.3 4,-2.1 -21,-0.4 -2,-0.2 0.920 115.5 41.4 -63.1 -47.2 -1.8 -4.2 -0.5 60 184 A I H X S+ 0 0 17 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.926 115.0 52.8 -63.0 -45.4 -3.9 -5.3 -3.5 61 185 A K H < S+ 0 0 129 -4,-2.7 4,-0.3 -5,-0.3 -2,-0.2 0.958 109.4 49.0 -55.6 -53.9 -1.8 -8.5 -3.9 62 186 A Q H >X>S+ 0 0 46 -4,-3.1 4,-2.2 1,-0.2 3,-1.9 0.911 112.8 46.3 -49.5 -52.6 -2.4 -9.4 -0.2 63 187 A H H 3X>S+ 0 0 47 -4,-2.1 5,-1.3 1,-0.3 4,-0.7 0.877 108.2 57.2 -64.5 -33.1 -6.2 -8.9 -0.5 64 188 A T H 3<5S+ 0 0 64 -4,-2.6 -1,-0.3 3,-0.2 -2,-0.2 0.458 122.8 27.0 -70.0 -3.1 -6.1 -10.9 -3.8 65 189 A V H <>5S+ 0 0 71 -3,-1.9 4,-3.0 -4,-0.3 -2,-0.2 0.641 125.4 35.9-121.1 -72.2 -4.6 -13.8 -1.7 66 190 A T H <5S+ 0 0 73 -4,-2.2 4,-0.3 1,-0.2 -3,-0.2 0.798 130.0 33.1 -71.4 -28.8 -5.6 -13.7 2.0 67 191 A T T >4 - 0 0 82 -2,-0.3 4,-1.8 1,-0.0 5,-0.1 -0.509 40.7 -98.4 -97.1 175.2 -12.8 -8.1 -10.8 76 200 A E H > S+ 0 0 153 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.875 124.8 51.8 -69.6 -33.5 -10.3 -5.8 -12.4 77 201 A T H > S+ 0 0 64 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.913 108.0 53.5 -66.0 -36.3 -12.4 -2.6 -11.9 78 202 A D H > S+ 0 0 31 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.904 111.4 46.8 -61.3 -38.4 -12.6 -3.6 -8.2 79 203 A V H X S+ 0 0 27 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.966 110.9 50.0 -66.7 -56.0 -8.8 -3.8 -8.3 80 204 A K H X S+ 0 0 113 -4,-2.9 4,-1.8 1,-0.3 -2,-0.2 0.870 111.7 48.6 -54.8 -42.1 -8.3 -0.4 -10.1 81 205 A M H X S+ 0 0 3 -4,-2.6 4,-2.2 2,-0.2 -1,-0.3 0.909 112.7 48.9 -64.8 -41.3 -10.7 1.2 -7.5 82 206 A M H X S+ 0 0 1 -4,-2.1 4,-3.3 -5,-0.2 5,-0.3 0.921 104.9 58.2 -59.3 -46.2 -8.7 -0.4 -4.7 83 207 A E H X S+ 0 0 85 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.913 109.3 46.1 -52.6 -45.4 -5.4 0.8 -6.3 84 208 A R H X S+ 0 0 115 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.962 115.2 44.2 -58.9 -59.8 -6.8 4.4 -6.0 85 209 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.885 117.4 46.2 -52.8 -45.2 -8.0 4.0 -2.4 86 210 A V H X S+ 0 0 0 -4,-3.3 4,-2.7 2,-0.2 -1,-0.2 0.902 112.7 49.2 -69.2 -41.6 -4.8 2.2 -1.3 87 211 A E H X S+ 0 0 38 -4,-2.6 4,-2.6 -5,-0.3 -2,-0.2 0.955 110.6 51.6 -63.6 -48.3 -2.5 4.8 -3.1 88 212 A Q H X S+ 0 0 76 -4,-2.8 4,-1.3 1,-0.2 -2,-0.2 0.922 115.5 41.2 -50.5 -53.0 -4.5 7.7 -1.4 89 213 A M H X S+ 0 0 3 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.876 111.6 56.0 -64.6 -39.5 -4.0 6.1 2.0 90 214 A a H X S+ 0 0 0 -4,-2.7 4,-3.1 2,-0.2 5,-0.3 0.887 99.3 61.2 -64.9 -35.7 -0.3 5.1 1.2 91 215 A I H X S+ 0 0 69 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.953 111.4 39.3 -51.7 -54.7 0.5 8.8 0.5 92 216 A T H X S+ 0 0 66 -4,-1.3 4,-2.7 2,-0.2 -2,-0.2 0.881 115.4 51.3 -64.5 -39.8 -0.5 9.7 4.1 93 217 A Q H X S+ 0 0 16 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.876 115.1 43.9 -68.4 -36.7 1.1 6.5 5.6 94 218 A Y H >X S+ 0 0 28 -4,-3.1 4,-3.2 2,-0.2 3,-0.6 0.978 115.1 48.4 -61.2 -59.9 4.4 7.3 3.7 95 219 A E H 3X S+ 0 0 75 -4,-2.9 4,-2.9 -5,-0.3 -2,-0.2 0.836 108.4 54.8 -55.2 -41.3 4.2 11.0 4.6 96 220 A R H 3X S+ 0 0 158 -4,-2.7 4,-0.6 2,-0.2 -1,-0.3 0.897 116.9 35.6 -59.0 -46.3 3.5 10.2 8.3 97 221 A E H X S+ 0 0 17 -4,-3.2 4,-2.2 1,-0.3 3,-0.6 0.921 103.5 54.6 -64.5 -43.8 8.7 10.3 6.2 99 223 A Q H 3X S+ 0 0 105 -4,-2.9 4,-2.2 1,-0.2 -1,-0.3 0.803 103.1 58.3 -57.8 -30.6 7.9 13.3 8.4 100 224 A A H 3< S+ 0 0 46 -4,-0.6 4,-0.4 -3,-0.5 -1,-0.2 0.844 103.9 50.0 -72.8 -31.5 9.4 11.3 11.3 101 225 A Y H X< S+ 0 0 183 -4,-1.2 3,-1.7 -3,-0.6 -2,-0.2 0.942 111.0 50.4 -63.7 -47.2 12.8 11.0 9.3 102 226 A Y H 3< S+ 0 0 182 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.903 104.0 58.2 -57.6 -41.0 12.6 14.8 8.8 103 227 A Q T 3< 0 0 174 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.575 360.0 360.0 -68.0 -10.1 12.0 15.2 12.6 104 228 A R < 0 0 263 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.331 360.0 360.0 -83.3 360.0 15.3 13.3 13.2