==== 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 04-MAY-00 1E1G . COMPND 2 MOLECULE: PRION PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.CALZOLAI,D.A.LYSEK,P.GUNTERT,C.VON SCHROETTER,R.ZAHN, . 104 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7463.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 68 65.4 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 . 13 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 44.2 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 0 0 1 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 90 0, 0.0 2,-0.3 0, 0.0 57,-0.0 0.000 360.0 360.0 360.0 -61.9 7.0 -13.4 -0.2 2 126 A G + 0 0 93 1,-0.2 0, 0.0 2,-0.0 0, 0.0 0.165 360.0 24.0 75.3 -17.3 9.5 -15.7 1.7 3 127 A G S S+ 0 0 39 -2,-0.3 -1,-0.2 2,-0.1 36,-0.0 0.160 88.1 126.2-168.2 17.4 12.0 -13.0 2.6 4 128 A Y - 0 0 43 36,-0.1 2,-0.3 1,-0.1 36,-0.2 -0.217 50.5-130.3 -71.5 171.6 10.2 -9.6 2.5 5 129 A M E -A 39 0A 98 34,-2.5 34,-1.5 -4,-0.0 2,-0.3 -0.728 14.0-139.7-109.2 171.5 10.1 -7.1 5.4 6 130 A L E -A 38 0A 91 -2,-0.3 32,-0.2 32,-0.2 2,-0.1 -0.936 13.2-137.9-132.1 148.9 7.0 -5.5 7.0 7 131 A G - 0 0 10 30,-1.3 2,-0.1 -2,-0.3 83,-0.0 -0.412 31.7 -81.5 -94.5 177.5 6.6 -1.9 8.1 8 132 A S - 0 0 84 -2,-0.1 29,-0.2 1,-0.1 -1,-0.2 -0.374 51.3-102.1 -65.8 159.4 5.0 -0.3 11.2 9 133 A A - 0 0 57 27,-0.1 2,-0.3 -2,-0.1 27,-0.2 -0.469 34.6-168.7 -71.5 156.0 1.2 0.3 11.2 10 134 A M - 0 0 63 25,-1.0 2,-0.2 -2,-0.2 79,-0.0 -0.968 35.2 -99.7-140.5 146.3 -0.3 3.7 10.6 11 135 A S - 0 0 112 -2,-0.3 24,-0.0 1,-0.1 0, 0.0 -0.557 66.5 -79.8 -65.1 132.2 -3.9 4.8 11.1 12 136 A R - 0 0 128 -2,-0.2 -1,-0.1 21,-0.1 23,-0.1 -0.091 52.7-140.3 -48.4 110.5 -5.4 4.7 7.6 13 137 A P - 0 0 47 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.357 14.7-116.7 -68.5 152.7 -4.4 7.9 5.8 14 138 A I - 0 0 69 -2,-0.0 2,-0.5 2,-0.0 9,-0.1 -0.719 22.8-153.5 -85.4 144.2 -6.8 9.8 3.5 15 139 A I - 0 0 13 -2,-0.3 2,-1.8 8,-0.1 3,-0.1 -0.979 10.2-142.1-126.4 108.6 -5.8 9.9 -0.1 16 140 A H - 0 0 138 -2,-0.5 4,-0.1 1,-0.2 7,-0.0 -0.553 23.1-179.7 -81.5 82.9 -7.3 12.9 -2.0 17 141 A F - 0 0 58 -2,-1.8 -1,-0.2 2,-0.2 3,-0.1 0.770 52.5 -95.8 -59.5 -35.5 -8.0 11.2 -5.3 18 142 A G S S+ 0 0 65 1,-0.2 2,-0.3 -3,-0.1 -1,-0.1 0.468 94.7 82.0 126.8 11.7 -9.4 14.3 -7.0 19 143 A S >> - 0 0 66 1,-0.1 4,-2.2 0, 0.0 3,-0.7 -0.955 67.6-137.8-145.9 139.7 -13.2 13.9 -6.5 20 144 A D H 3> S+ 0 0 121 -2,-0.3 4,-1.9 1,-0.3 5,-0.2 0.764 105.8 58.2 -57.7 -33.7 -15.6 14.7 -3.6 21 145 A Y H 3> S+ 0 0 184 2,-0.2 4,-2.9 1,-0.2 -1,-0.3 0.924 111.6 40.3 -60.8 -47.9 -17.5 11.4 -4.1 22 146 A E H <> S+ 0 0 72 -3,-0.7 4,-2.6 2,-0.2 -2,-0.2 0.836 111.1 57.2 -73.4 -34.5 -14.3 9.4 -3.6 23 147 A D H X S+ 0 0 44 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.892 116.5 36.5 -65.6 -39.7 -13.0 11.6 -0.7 24 148 A R H X S+ 0 0 166 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.948 113.2 56.4 -72.7 -53.5 -16.3 10.8 1.1 25 149 A Y H X S+ 0 0 53 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.869 104.6 55.9 -50.8 -43.1 -16.6 7.2 -0.1 26 150 A Y H < S+ 0 0 0 -4,-2.6 3,-0.4 1,-0.2 -1,-0.2 0.950 108.9 43.8 -52.5 -60.8 -13.2 6.5 1.4 27 151 A R H >< S+ 0 0 157 -4,-1.2 3,-0.6 1,-0.2 4,-0.2 0.842 113.5 52.6 -59.8 -32.8 -14.1 7.7 4.9 28 152 A E H 3< S+ 0 0 137 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.917 126.8 23.5 -61.3 -40.5 -17.4 5.8 4.7 29 153 A N T >< S+ 0 0 44 -4,-2.3 3,-0.7 -3,-0.4 -1,-0.2 -0.181 86.3 110.5-121.5 30.7 -15.5 2.6 3.7 30 154 A M G X + 0 0 24 -3,-0.6 3,-1.6 1,-0.2 -1,-0.1 0.817 62.7 77.3 -81.8 -26.1 -11.9 3.0 5.1 31 155 A H G 3 S+ 0 0 147 1,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.381 90.3 56.7 -67.6 0.7 -12.3 0.4 7.8 32 156 A R G < S+ 0 0 77 -3,-0.7 -1,-0.3 2,-0.1 -2,-0.1 0.625 88.0 91.4 -99.2 -21.1 -11.9 -2.5 5.2 33 157 A Y S < S- 0 0 16 -3,-1.6 2,-0.1 -4,-0.2 -21,-0.1 -0.282 80.8 -96.3 -88.2 160.4 -8.5 -1.6 3.7 34 158 A P - 0 0 11 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.433 24.9-169.0 -68.2 151.5 -4.9 -2.7 4.7 35 159 A N + 0 0 52 -2,-0.1 -25,-1.0 -23,-0.1 2,-0.3 0.228 69.5 50.8-126.9 5.5 -2.8 -0.4 6.9 36 160 A Q - 0 0 66 -27,-0.2 2,-0.3 23,-0.0 -27,-0.1 -0.906 66.9-157.3-136.6 165.4 0.6 -2.0 6.6 37 161 A V - 0 0 0 -2,-0.3 -30,-1.3 -29,-0.2 2,-0.4 -0.856 12.5-124.7-141.1 168.0 2.6 -3.1 3.5 38 162 A Y E +A 6 0A 78 17,-0.4 2,-0.3 -2,-0.3 -32,-0.2 -0.976 36.0 146.3-123.7 135.5 5.4 -5.6 2.5 39 163 A Y E -A 5 0A 36 -34,-1.5 -34,-2.5 -2,-0.4 16,-0.1 -0.972 39.4-111.5-160.5 157.0 8.8 -4.8 0.8 40 164 A R - 0 0 103 -2,-0.3 2,-0.2 -36,-0.2 -36,-0.1 -0.236 38.6 -96.2 -79.6 174.4 12.4 -6.1 0.9 41 165 A P - 0 0 72 0, 0.0 2,-0.8 0, 0.0 3,-0.3 -0.633 38.1-111.8 -80.8 163.7 15.5 -4.3 2.3 42 166 A V S S+ 0 0 21 -2,-0.2 4,-0.2 1,-0.2 3,-0.0 -0.837 81.9 93.3 -98.6 102.9 17.8 -2.4 -0.2 43 167 A D S S+ 0 0 143 -2,-0.8 3,-0.2 2,-0.5 -1,-0.2 0.168 98.9 9.4-148.5 -47.2 21.1 -4.1 -0.5 44 168 A E S S+ 0 0 191 1,-0.4 2,-0.8 -3,-0.3 -2,-0.1 0.853 134.7 33.7 -95.7 -80.3 21.1 -6.5 -3.5 45 169 A Y S S+ 0 0 65 -4,-0.2 -2,-0.5 6,-0.0 -1,-0.4 -0.733 78.4 157.7 -74.4 107.8 17.8 -5.8 -5.3 46 170 A S + 0 0 31 -2,-0.8 2,-0.3 -4,-0.2 -4,-0.1 -0.986 4.7 147.9-129.7 137.9 17.3 -2.0 -4.8 47 171 A N - 0 0 62 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 -0.932 39.5-132.4-149.8 174.2 15.1 0.1 -7.2 48 172 A Q S >> S+ 0 0 150 -2,-0.3 3,-1.3 3,-0.1 4,-1.1 0.652 95.2 6.9 -92.8 -96.2 12.8 3.1 -7.0 49 173 A N H 3> S+ 0 0 96 1,-0.3 4,-2.5 2,-0.2 3,-0.2 0.798 125.9 60.6 -68.9 -31.5 9.4 2.6 -8.8 50 174 A N H 3> S+ 0 0 92 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.872 104.8 52.1 -54.6 -39.5 9.9 -1.1 -9.5 51 175 A F H <> S+ 0 0 12 -3,-1.3 4,-0.7 2,-0.2 -1,-0.2 0.815 106.5 51.9 -73.0 -30.9 10.2 -1.6 -5.7 52 176 A V H >X S+ 0 0 14 -4,-1.1 4,-3.3 2,-0.2 3,-0.6 0.937 111.3 48.7 -67.2 -43.1 6.9 0.3 -5.2 53 177 A H H 3X S+ 0 0 100 -4,-2.5 4,-2.7 1,-0.2 5,-0.5 0.949 111.6 47.7 -60.0 -48.5 5.3 -2.1 -7.7 54 178 A D H 3< S+ 0 0 68 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.611 117.9 44.3 -72.3 -10.3 6.7 -5.2 -5.9 55 179 A a H S+ 0 0 47 -5,-0.5 4,-0.6 1,-0.2 -1,-0.2 0.850 117.5 39.2 -69.8 -28.5 2.5 -8.0 -3.3 59 183 A T H X S+ 0 0 2 -4,-2.2 4,-1.6 -3,-0.2 -2,-0.2 0.917 119.2 46.1 -79.3 -48.0 0.4 -6.3 -0.6 60 184 A I H >X S+ 0 0 16 -4,-3.3 4,-2.8 1,-0.2 3,-0.9 0.976 115.0 45.5 -63.3 -55.3 -2.7 -5.8 -2.9 61 185 A K H 3X S+ 0 0 129 -4,-2.8 4,-1.7 1,-0.3 -1,-0.2 0.818 105.8 62.5 -63.3 -27.0 -2.7 -9.3 -4.3 62 186 A Q H 3X S+ 0 0 64 -4,-0.6 4,-2.3 -5,-0.4 -1,-0.3 0.913 110.3 40.3 -60.7 -38.2 -2.1 -10.6 -0.7 63 187 A H H X S+ 0 0 78 -4,-1.7 3,-1.1 -5,-0.3 4,-0.6 0.916 115.6 44.7 -77.4 -59.9 -5.8 -13.8 -2.3 66 190 A T H >X S+ 0 0 61 -4,-2.3 4,-1.9 1,-0.2 3,-1.0 0.761 97.0 76.2 -59.8 -28.7 -7.1 -13.6 1.2 67 191 A T H 3X>S+ 0 0 12 -4,-2.8 5,-2.3 1,-0.3 4,-0.7 0.895 93.4 52.2 -51.1 -46.4 -10.5 -12.1 0.1 68 192 A T H <45S+ 0 0 123 -3,-1.1 3,-0.3 -4,-0.4 -1,-0.3 0.842 114.9 41.6 -59.7 -36.1 -11.6 -15.6 -1.1 69 193 A T H <<5S+ 0 0 125 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.671 114.2 52.5 -85.4 -19.8 -10.7 -17.1 2.4 70 194 A K H <5S- 0 0 162 -4,-1.9 -2,-0.2 -3,-0.5 -1,-0.2 0.408 109.7-119.4 -92.1 -3.8 -12.2 -14.0 4.2 71 195 A G T <5S+ 0 0 74 -4,-0.7 2,-0.3 -3,-0.3 -3,-0.2 0.902 74.4 126.8 59.1 38.5 -15.6 -14.3 2.4 72 196 A E < - 0 0 75 -5,-2.3 -1,-0.3 -6,-0.1 2,-0.2 -0.880 48.0-160.5-116.2 160.7 -15.0 -10.8 1.1 73 197 A N - 0 0 128 -2,-0.3 2,-0.1 -3,-0.1 -9,-0.1 -0.675 13.7-153.0-143.4 81.0 -15.1 -9.5 -2.6 74 198 A F - 0 0 22 -2,-0.2 -2,-0.0 -11,-0.1 -7,-0.0 -0.358 24.0-123.6 -51.5 122.5 -13.2 -6.2 -2.9 75 199 A T > - 0 0 63 1,-0.1 4,-2.7 -2,-0.1 5,-0.2 -0.204 23.1-105.7 -63.1 164.1 -14.8 -4.4 -5.8 76 200 A E H > S+ 0 0 130 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.859 127.4 50.7 -58.5 -31.3 -12.5 -3.2 -8.7 77 201 A T H > S+ 0 0 70 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.891 107.1 52.5 -73.3 -39.8 -13.0 0.3 -7.2 78 202 A D H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.933 110.5 47.8 -62.4 -45.9 -12.0 -1.0 -3.7 79 203 A V H X S+ 0 0 13 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.944 110.6 52.6 -57.8 -47.3 -8.8 -2.5 -5.2 80 204 A K H X S+ 0 0 111 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.870 112.5 44.6 -57.2 -40.2 -8.2 0.8 -7.0 81 205 A M H X S+ 0 0 4 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.944 112.8 50.9 -67.9 -47.9 -8.5 2.8 -3.7 82 206 A M H X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 5,-0.2 0.881 103.9 59.8 -56.9 -41.3 -6.4 0.2 -1.8 83 207 A E H X S+ 0 0 68 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.941 107.1 45.7 -52.9 -52.9 -3.6 0.5 -4.5 84 208 A R H X S+ 0 0 108 -4,-1.4 4,-2.5 2,-0.2 5,-0.2 0.895 113.2 48.6 -57.8 -47.6 -3.3 4.3 -3.8 85 209 A V H X S+ 0 0 2 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.951 112.7 48.3 -57.5 -50.9 -3.2 3.8 -0.1 86 210 A V H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.895 111.2 52.9 -59.3 -41.4 -0.6 1.0 -0.4 87 211 A E H X S+ 0 0 54 -4,-2.8 4,-3.1 -5,-0.2 5,-0.3 0.974 111.3 42.7 -55.7 -61.5 1.5 3.3 -2.7 88 212 A Q H X S+ 0 0 62 -4,-2.5 4,-2.5 1,-0.3 -2,-0.2 0.895 116.5 48.4 -62.2 -39.9 1.6 6.3 -0.4 89 213 A M H X S+ 0 0 3 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.3 0.889 114.5 45.4 -63.9 -39.6 2.3 4.1 2.7 90 214 A a H X S+ 0 0 7 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.939 112.6 49.9 -72.4 -41.3 5.1 2.2 0.9 91 215 A I H X S+ 0 0 60 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.897 109.4 54.3 -60.4 -40.0 6.6 5.4 -0.5 92 216 A T H X S+ 0 0 63 -4,-2.5 4,-1.6 -5,-0.3 -1,-0.2 0.944 110.2 44.9 -55.3 -51.3 6.5 6.8 3.1 93 217 A Q H < S+ 0 0 10 -4,-1.9 4,-0.5 1,-0.2 -2,-0.2 0.750 112.3 53.6 -74.3 -18.5 8.4 3.8 4.3 94 218 A Y H >X S+ 0 0 48 -4,-2.0 4,-3.0 2,-0.2 3,-1.8 0.958 105.0 52.5 -68.7 -55.4 10.9 4.1 1.4 95 219 A E H 3X S+ 0 0 137 -4,-2.7 4,-2.5 1,-0.3 5,-0.2 0.883 101.2 61.8 -51.3 -44.6 11.7 7.8 2.1 96 220 A R H 3< S+ 0 0 161 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.727 119.5 25.1 -54.8 -32.2 12.6 7.0 5.7 97 221 A E H X4 S+ 0 0 49 -3,-1.8 3,-1.2 -4,-0.5 -1,-0.2 0.684 113.6 65.2-107.5 -24.3 15.5 4.6 4.6 98 222 A S H >X S+ 0 0 26 -4,-3.0 4,-2.8 1,-0.3 3,-1.6 0.879 100.9 53.5 -63.8 -36.6 16.2 6.1 1.2 99 223 A Q T 3< S+ 0 0 112 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.1 0.581 110.9 47.6 -71.2 -11.5 17.3 9.3 3.1 100 224 A A T <4 S+ 0 0 64 -3,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.072 116.7 44.0-109.5 17.8 19.6 6.8 5.0 101 225 A Y T X4 S+ 0 0 61 -3,-1.6 3,-0.6 3,-0.0 -2,-0.2 0.620 116.2 39.9-127.6 -57.3 20.8 5.2 1.7 102 226 A Y T 3< S+ 0 0 211 -4,-2.8 -3,-0.1 1,-0.2 -2,-0.1 0.402 123.0 45.2 -80.0 0.9 21.5 8.1 -0.6 103 227 A Q T 3 0 0 146 -5,-0.3 -1,-0.2 1,-0.1 -3,-0.1 0.388 360.0 360.0-118.3 -2.3 23.0 10.1 2.4 104 228 A R < 0 0 220 -3,-0.6 -2,-0.1 0, 0.0 -1,-0.1 0.807 360.0 360.0 -59.0 360.0 25.2 7.3 4.0