==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION/IMMUNE SYSTEM 17-JUN-04 1TQC . COMPND 2 MOLECULE: PRION PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: OVIS ARIES; . AUTHOR F.EGHIAIAN,J.GROSCLAUDE,S.LESCEU,P.DEBEY,B.DOUBLET, . 533 3 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24081.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 350 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 171 32.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 52 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 2 1 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 RESIDUES PER ALPHA HELIX . 0 0 1 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 PARALLEL BRIDGES PER LADDER . 5 4 6 4 5 6 1 0 2 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 1 5 1 0 0 0 0 0 0 1 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 1 127 A G 0 0 68 0, 0.0 157,-0.1 0, 0.0 158,-0.1 0.000 360.0 360.0 360.0 -66.7 18.6 16.6 16.4 2 128 A L > + 0 0 35 156,-0.1 3,-3.1 3,-0.1 38,-0.1 0.194 360.0 142.8-132.9 9.7 18.4 13.8 13.8 3 129 A G T 3 S+ 0 0 62 1,-0.3 3,-0.1 155,-0.1 0, 0.0 -0.351 80.9 12.4 -56.5 127.1 21.3 11.7 15.0 4 130 A G T 3 S+ 0 0 36 1,-0.3 2,-0.5 -2,-0.1 -1,-0.3 0.518 102.0 130.6 81.6 3.5 20.3 8.1 14.5 5 131 A Y < - 0 0 29 -3,-3.1 -1,-0.3 36,-0.2 2,-0.3 -0.804 40.9-159.7 -98.6 131.0 17.3 9.2 12.4 6 132 A M E -A 40 0A 77 34,-3.7 34,-1.7 -2,-0.5 2,-0.6 -0.711 17.0-130.0-105.4 155.7 16.7 7.7 9.0 7 133 A L E -A 39 0A 87 -2,-0.3 32,-0.2 32,-0.2 2,-0.1 -0.937 30.2-146.1-104.1 118.6 14.7 8.9 6.1 8 134 A G - 0 0 5 30,-2.5 3,-0.1 -2,-0.6 86,-0.0 -0.360 28.2 -83.2 -81.5 166.9 12.3 6.2 5.0 9 135 A S - 0 0 73 1,-0.1 29,-0.3 28,-0.1 -1,-0.2 -0.248 54.7 -92.1 -65.1 158.5 11.2 5.6 1.4 10 136 A A - 0 0 55 27,-0.1 2,-0.3 -3,-0.1 27,-0.2 -0.352 47.0-178.8 -70.0 153.8 8.4 7.6 -0.1 11 137 A M - 0 0 22 25,-2.0 2,-0.1 -3,-0.1 79,-0.0 -0.971 36.6 -86.0-150.6 155.2 4.9 6.3 0.1 12 138 A S - 0 0 112 -2,-0.3 3,-0.1 1,-0.1 24,-0.0 -0.414 54.2-102.9 -66.0 138.8 1.4 7.5 -1.0 13 139 A R - 0 0 54 1,-0.1 -1,-0.1 -2,-0.1 2,-0.1 -0.370 41.1-106.3 -62.8 139.0 -0.2 9.8 1.5 14 140 A P - 0 0 30 0, 0.0 2,-1.2 0, 0.0 -1,-0.1 -0.410 26.4-123.6 -66.2 139.7 -2.9 8.1 3.5 15 141 A L - 0 0 134 -2,-0.1 2,-0.3 -3,-0.1 -3,-0.0 -0.751 36.9-174.0 -87.9 99.3 -6.4 9.1 2.5 16 142 A I - 0 0 13 -2,-1.2 2,-0.5 8,-0.1 11,-0.1 -0.668 16.4-132.4 -91.2 148.7 -7.8 10.3 5.8 17 143 A H + 0 0 145 -2,-0.3 2,-0.4 1,-0.0 3,-0.1 -0.915 22.3 179.3-113.5 125.5 -11.4 11.3 6.1 18 144 A F - 0 0 16 -2,-0.5 6,-0.3 2,-0.2 2,-0.2 -0.622 34.3-132.3-116.8 66.6 -12.7 14.5 7.7 19 145 A G S S+ 0 0 78 -2,-0.4 2,-0.2 4,-0.1 -1,-0.1 0.202 81.8 81.8 21.2 -71.9 -16.5 14.3 7.3 20 146 A N S > S- 0 0 77 -2,-0.2 4,-1.9 1,-0.1 5,-0.4 -0.378 80.6-132.0 -62.5 126.7 -17.1 17.8 6.0 21 147 A D H > S+ 0 0 138 3,-0.2 4,-2.4 -2,-0.2 -1,-0.1 0.832 102.9 52.4 -45.6 -38.5 -16.5 18.1 2.2 22 148 A Y H > S+ 0 0 128 2,-0.2 4,-1.7 1,-0.2 3,-0.2 0.999 109.0 40.0 -65.7 -73.8 -14.5 21.3 3.0 23 149 A E H > S+ 0 0 32 1,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.757 122.7 47.8 -48.8 -23.1 -11.9 20.3 5.6 24 150 A D H X S+ 0 0 18 -4,-1.9 4,-1.7 -6,-0.3 -1,-0.3 0.871 108.7 51.6 -81.8 -42.0 -11.6 17.1 3.6 25 151 A R H X S+ 0 0 104 -4,-2.4 4,-1.0 -5,-0.4 -2,-0.2 0.634 105.5 61.4 -67.2 -13.1 -11.4 19.2 0.4 26 152 A Y H X S+ 0 0 24 -4,-1.7 4,-0.7 2,-0.2 -1,-0.2 0.911 100.4 49.1 -79.0 -46.0 -8.6 21.0 2.2 27 153 A Y H >X S+ 0 0 2 -4,-1.1 4,-2.1 1,-0.2 3,-1.1 0.937 113.1 47.0 -59.7 -47.8 -6.4 18.0 2.7 28 154 A R H 3< S+ 0 0 134 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.862 115.8 45.9 -63.1 -34.7 -6.6 17.1 -1.0 29 155 A E H 3< S+ 0 0 93 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.462 124.0 33.4 -86.6 -3.1 -6.0 20.7 -2.0 30 156 A N H X< S+ 0 0 5 -3,-1.1 3,-1.9 -4,-0.7 -2,-0.2 0.464 83.0 99.8-130.1 -6.8 -3.0 21.1 0.4 31 157 A M G >< S+ 0 0 43 -4,-2.1 3,-1.4 1,-0.3 -3,-0.1 0.640 73.1 68.5 -62.2 -15.3 -1.3 17.7 0.6 32 158 A Y G 3 S+ 0 0 111 1,-0.3 -1,-0.3 -4,-0.2 319,-0.1 0.783 96.6 57.8 -71.3 -22.9 1.5 18.7 -1.8 33 159 A R G < S+ 0 0 0 -3,-1.9 -1,-0.3 317,-0.1 -2,-0.2 0.408 101.1 76.7 -83.3 1.2 2.5 21.0 1.0 34 160 A Y S < S- 0 0 5 -3,-1.4 -21,-0.1 1,-0.1 49,-0.0 -0.727 88.2 -96.3-112.2 162.2 2.8 18.0 3.3 35 161 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.149 19.8-168.7 -68.6 167.9 5.5 15.2 3.6 36 162 A N S S+ 0 0 51 1,-0.2 -25,-2.0 -23,-0.1 2,-0.3 0.054 72.9 46.5-144.2 19.9 5.3 11.8 2.0 37 163 A Q S S- 0 0 68 -27,-0.2 2,-0.3 2,-0.0 -1,-0.2 -0.975 74.1-130.9-156.4 158.5 8.2 10.2 3.9 38 164 A V - 0 0 0 -29,-0.3 -30,-2.5 -2,-0.3 2,-0.4 -0.900 5.4-135.6-128.4 151.6 9.3 10.0 7.5 39 165 A Y E +A 7 0A 62 17,-0.4 21,-0.4 -2,-0.3 2,-0.3 -0.758 40.9 153.2 -93.3 142.1 12.3 10.4 9.8 40 166 A Y E -A 6 0A 18 -34,-1.7 -34,-3.7 -2,-0.4 3,-0.1 -0.984 42.2-112.6-161.8 167.1 12.7 7.7 12.4 41 167 A R - 0 0 93 -2,-0.3 -36,-0.2 -36,-0.2 5,-0.1 -0.767 63.8 -69.0-103.1 152.9 15.1 5.8 14.7 42 168 A P > - 0 0 26 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.097 46.9-123.9 -41.7 132.2 15.8 2.1 14.1 43 169 A V G > S+ 0 0 10 1,-0.3 3,-1.1 2,-0.2 9,-0.1 0.790 108.4 63.3 -52.6 -29.4 12.6 0.2 14.9 44 170 A D G 3 S+ 0 0 89 1,-0.3 -1,-0.3 54,-0.1 55,-0.0 0.849 85.9 71.1 -65.9 -34.6 14.6 -1.9 17.4 45 171 A R G < S+ 0 0 167 -3,-1.4 2,-0.4 2,-0.0 -1,-0.3 0.384 92.8 73.6 -64.6 5.3 15.5 1.1 19.6 46 172 A Y S < S- 0 0 28 -3,-1.1 3,-0.0 -4,-0.1 4,-0.0 -0.947 71.0-144.6-125.5 145.9 11.8 1.2 20.8 47 173 A S S S- 0 0 100 -2,-0.4 2,-0.2 1,-0.0 -1,-0.1 0.860 81.7 -3.1 -73.7 -38.2 9.8 -1.0 23.1 48 174 A N S > S- 0 0 56 1,-0.0 4,-1.3 0, 0.0 5,-0.1 -0.794 78.2 -92.0-142.6-175.4 6.5 -0.7 21.2 49 175 A Q H > S+ 0 0 75 -2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.809 115.9 59.9 -74.1 -31.2 4.8 0.9 18.2 50 176 A N H > S+ 0 0 117 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.935 104.2 46.5 -66.3 -45.9 3.6 3.9 20.2 51 177 A N H > S+ 0 0 79 2,-0.2 4,-1.9 3,-0.1 5,-0.2 0.983 116.3 46.7 -58.0 -55.9 7.0 5.1 21.3 52 178 A F H >X S+ 0 0 0 -4,-1.3 4,-2.5 1,-0.2 3,-1.0 0.953 113.8 45.3 -46.9 -69.0 8.3 4.8 17.8 53 179 A V H 3X S+ 0 0 8 -4,-2.5 4,-2.2 1,-0.3 -1,-0.2 0.852 111.1 54.4 -46.5 -44.3 5.4 6.5 16.0 54 180 A H H 3X S+ 0 0 127 -4,-2.4 4,-1.6 -5,-0.3 -1,-0.3 0.868 112.1 43.1 -61.0 -37.4 5.3 9.3 18.6 55 181 A D H X S+ 0 0 5 -4,-1.7 4,-1.6 -5,-0.2 3,-1.0 0.859 110.4 52.7 -87.8 -38.1 10.1 24.4 4.3 69 195 A T H 3< S+ 0 0 3 -4,-2.3 4,-0.4 1,-0.3 134,-0.4 0.793 100.0 67.9 -65.7 -25.5 9.4 27.7 6.1 70 196 A T T 3< S+ 0 0 3 -4,-0.7 -1,-0.3 -5,-0.3 -2,-0.2 0.857 108.1 35.9 -60.1 -35.1 13.1 28.4 5.4 71 197 A K T <4 S- 0 0 48 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 0.674 140.7 -67.7 -89.8 -23.8 12.1 28.6 1.7 72 198 A G S < S+ 0 0 0 -4,-1.6 -3,-0.2 298,-0.1 2,-0.2 0.457 75.4 136.0 131.7 86.2 8.8 30.2 2.4 73 199 A E - 0 0 4 -4,-0.4 130,-0.2 -8,-0.1 2,-0.1 -0.641 34.2-148.8-136.3-166.1 5.8 28.7 4.0 74 200 A N - 0 0 32 -2,-0.2 2,-0.8 128,-0.1 5,-0.1 -0.547 10.0-163.8-174.3 96.7 3.0 29.2 6.6 75 201 A F - 0 0 16 -2,-0.1 -2,-0.0 4,-0.1 2,-0.0 -0.823 14.9-161.9 -96.5 113.1 1.6 26.3 8.6 76 202 A T > - 0 0 49 -2,-0.8 4,-2.5 1,-0.1 5,-0.2 -0.173 39.8 -91.3 -80.8 177.1 -1.8 27.2 10.1 77 203 A E H > S+ 0 0 173 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.853 131.9 47.1 -59.7 -33.5 -3.5 25.5 13.0 78 204 A T H > S+ 0 0 54 2,-0.2 4,-3.3 1,-0.2 5,-0.4 0.911 107.5 54.2 -74.6 -43.1 -5.3 23.4 10.4 79 205 A D H > S+ 0 0 0 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.925 113.0 43.9 -55.8 -45.5 -2.1 22.7 8.5 80 206 A I H X S+ 0 0 56 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.922 115.6 49.8 -65.1 -44.8 -0.5 21.3 11.7 81 207 A K H X S+ 0 0 108 -4,-2.0 4,-1.6 -5,-0.2 -2,-0.2 0.986 111.7 44.2 -57.9 -64.7 -3.7 19.4 12.5 82 208 A I H X S+ 0 0 0 -4,-3.3 4,-1.7 1,-0.2 -1,-0.2 0.777 116.0 53.4 -54.5 -24.8 -4.2 17.7 9.1 83 209 A M H X S+ 0 0 1 -4,-1.3 4,-3.2 -5,-0.4 5,-0.4 0.955 99.1 55.6 -76.7 -52.6 -0.4 17.0 9.3 84 210 A E H X S+ 0 0 90 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.935 113.6 46.3 -43.7 -52.0 -0.1 15.3 12.7 85 211 A R H X S+ 0 0 102 -4,-1.6 4,-2.1 2,-0.2 3,-0.4 0.975 114.6 43.8 -54.3 -65.4 -2.8 12.8 11.4 86 212 A V H X S+ 0 0 1 -4,-1.7 4,-2.2 1,-0.3 3,-0.2 0.909 116.5 46.7 -47.1 -55.1 -1.3 12.2 8.0 87 213 A V H X S+ 0 0 1 -4,-3.2 4,-3.0 1,-0.2 -1,-0.3 0.835 108.5 57.5 -59.3 -33.9 2.3 11.8 9.3 88 214 A E H X S+ 0 0 83 -4,-2.2 4,-2.2 -5,-0.4 -1,-0.2 0.902 106.7 46.8 -66.1 -41.6 1.0 9.5 12.1 89 215 A Q H X S+ 0 0 68 -4,-2.1 4,-2.4 -3,-0.2 -1,-0.2 0.924 114.0 49.7 -63.9 -42.8 -0.5 7.1 9.6 90 216 A M H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.920 108.8 50.8 -62.6 -44.7 2.7 7.2 7.7 91 217 A a H X S+ 0 0 0 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.907 110.8 49.6 -60.0 -41.1 4.9 6.6 10.8 92 218 A I H X S+ 0 0 38 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.921 111.1 49.1 -63.4 -42.1 2.7 3.6 11.6 93 219 A T H X S+ 0 0 50 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.850 109.6 52.8 -64.4 -33.1 3.1 2.3 8.1 94 220 A Q H X S+ 0 0 2 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.881 104.2 56.7 -68.5 -36.9 6.8 2.9 8.5 95 221 A Y H X S+ 0 0 40 -4,-2.2 4,-3.0 2,-0.2 5,-0.4 0.918 106.6 48.6 -60.3 -44.9 6.7 0.8 11.7 96 222 A Q H X S+ 0 0 104 -4,-1.9 4,-4.0 2,-0.2 5,-0.2 0.975 111.6 50.3 -58.8 -54.1 5.3 -2.1 9.8 97 223 A R H X S+ 0 0 77 -4,-2.2 4,-0.8 1,-0.2 -2,-0.2 0.943 116.4 39.8 -46.9 -61.1 7.9 -1.8 7.1 98 224 A E H >< S+ 0 0 40 -4,-2.8 3,-0.9 1,-0.2 4,-0.4 0.918 120.2 43.3 -57.3 -51.8 10.8 -1.7 9.6 99 225 A S H >< S+ 0 0 48 -4,-3.0 3,-2.1 1,-0.3 -1,-0.2 0.927 108.9 59.2 -61.0 -44.9 9.5 -4.3 11.9 100 226 A Q H 3< S+ 0 0 148 -4,-4.0 -1,-0.3 -5,-0.4 -2,-0.2 0.691 106.2 51.2 -55.8 -20.6 8.5 -6.4 8.9 101 227 A A T << 0 0 77 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.495 360.0 360.0 -98.0 -5.7 12.2 -6.4 8.0 102 228 A Y < 0 0 201 -3,-2.1 -1,-0.2 -4,-0.4 -2,-0.1 -0.315 360.0 360.0 -97.8 360.0 13.6 -7.5 11.3 103 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 104 1 B Q 0 0 183 0, 0.0 2,-0.9 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 46.5 4.0 39.6 19.4 105 2 B I + 0 0 50 24,-0.2 2,-0.3 22,-0.1 24,-0.3 -0.771 360.0 164.0 -84.9 108.6 6.3 37.8 17.1 106 3 B Q E -B 128 0B 107 22,-3.1 22,-1.1 -2,-0.9 2,-0.4 -0.948 32.4-162.6-132.9 152.0 9.5 39.7 17.3 107 4 B L E -B 127 0B 10 99,-0.4 101,-0.7 -2,-0.3 2,-0.5 -0.980 14.7-170.0-132.6 115.9 13.2 39.3 16.4 108 5 B V E -B 126 0B 64 18,-2.0 18,-2.6 -2,-0.4 2,-0.2 -0.947 6.3-156.2-115.3 125.5 15.6 41.6 18.1 109 6 B Q E -B 125 0B 6 -2,-0.5 16,-0.3 16,-0.3 99,-0.0 -0.580 26.4 -91.7 -98.2 159.7 19.2 41.8 17.0 110 7 B S - 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