==== 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 1TQB . COMPND 2 MOLECULE: PRION PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: OVIS ARIES; . AUTHOR F.EGHIAIAN,J.GROSCLAUDE,P.DEBEY,B.DOUBLET,E.TREGUER, . 533 3 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24354.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 349 65.5 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 . 174 32.6 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 . 4 0.8 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 . 49 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 7.7 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 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 . 4 5 6 3 3 10 0 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 0 5 1 0 2 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 1 127 A G 0 0 72 0, 0.0 157,-0.1 0, 0.0 158,-0.1 0.000 360.0 360.0 360.0 -92.5 18.8 16.5 16.5 2 128 A L > + 0 0 38 156,-0.2 3,-1.9 3,-0.0 2,-0.1 0.191 360.0 141.4-113.3 14.0 18.6 14.0 13.7 3 129 A G T 3 S+ 0 0 61 1,-0.3 3,-0.1 155,-0.1 38,-0.0 -0.344 76.3 9.2 -60.6 130.1 21.4 11.7 14.9 4 130 A G T 3 S+ 0 0 42 1,-0.2 2,-0.5 -2,-0.1 -1,-0.3 0.686 100.5 130.4 73.6 16.8 20.6 8.0 14.4 5 131 A Y < - 0 0 32 -3,-1.9 36,-0.2 36,-0.1 -1,-0.2 -0.917 42.3-157.1-110.7 123.1 17.6 9.0 12.3 6 132 A M E -A 40 0A 85 34,-3.4 34,-2.1 -2,-0.5 2,-0.6 -0.575 16.9-125.3 -94.0 157.8 16.9 7.4 8.9 7 133 A L E -A 39 0A 87 32,-0.2 32,-0.2 -2,-0.2 2,-0.0 -0.913 27.9-141.8-103.9 115.5 14.9 8.9 6.1 8 134 A G - 0 0 2 30,-3.5 3,-0.1 -2,-0.6 86,-0.0 -0.299 27.4 -91.1 -72.7 162.1 12.2 6.4 5.0 9 135 A S - 0 0 70 1,-0.1 29,-0.3 28,-0.1 -1,-0.1 -0.279 51.1 -85.2 -70.5 158.9 11.3 6.0 1.3 10 136 A V - 0 0 90 27,-0.1 2,-0.3 1,-0.0 27,-0.2 -0.306 51.2-179.0 -63.7 144.4 8.5 8.0 -0.3 11 137 A M - 0 0 17 25,-2.2 2,-0.1 -3,-0.1 79,-0.0 -0.971 35.5 -87.2-144.1 157.4 5.0 6.6 0.1 12 138 A S - 0 0 109 -2,-0.3 3,-0.1 1,-0.1 24,-0.0 -0.440 53.1-104.5 -67.2 135.7 1.5 7.5 -1.1 13 139 A R - 0 0 47 -2,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.361 39.7-103.4 -63.4 136.0 -0.2 9.9 1.3 14 140 A P - 0 0 29 0, 0.0 2,-1.6 0, 0.0 -1,-0.1 -0.357 25.8-129.0 -60.6 130.3 -2.9 8.3 3.5 15 141 A L - 0 0 136 -2,-0.1 2,-0.2 -3,-0.1 -3,-0.0 -0.664 37.6-175.4 -85.3 90.8 -6.4 9.2 2.3 16 142 A I - 0 0 13 -2,-1.6 2,-0.5 8,-0.1 11,-0.1 -0.536 15.9-126.8 -84.4 152.4 -7.8 10.3 5.6 17 143 A H + 0 0 142 -2,-0.2 2,-0.5 3,-0.0 -2,-0.0 -0.902 29.9 170.3-118.5 133.8 -11.5 11.3 6.0 18 144 A F > - 0 0 24 -2,-0.5 3,-0.8 1,-0.1 6,-0.5 -0.946 23.1-154.1-129.5 99.8 -13.2 14.4 7.3 19 145 A G T 3 S+ 0 0 80 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.649 77.0 91.7 -53.3 -16.2 -16.9 14.1 6.5 20 146 A N T 3 S- 0 0 81 1,-0.2 2,-3.9 -3,-0.0 -1,-0.3 0.253 83.5-140.6 -67.3 12.9 -17.2 17.9 6.5 21 147 A D S <> S+ 0 0 122 -3,-0.8 4,-0.9 1,-0.2 -1,-0.2 0.097 92.0 66.5 53.3 -32.5 -16.5 18.2 2.7 22 148 A Y H > S+ 0 0 132 -2,-3.9 4,-2.4 2,-0.2 -1,-0.2 0.936 101.8 40.7 -82.0 -52.4 -14.4 21.3 3.4 23 149 A E H > S+ 0 0 31 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.874 114.5 55.0 -63.0 -37.0 -11.5 19.8 5.3 24 150 A D H > S+ 0 0 24 -6,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.919 112.8 42.4 -60.7 -41.9 -11.5 16.9 2.9 25 151 A R H X S+ 0 0 115 -4,-0.9 4,-2.2 2,-0.2 -2,-0.2 0.818 114.5 51.6 -73.7 -30.5 -11.2 19.4 0.1 26 152 A Y H X S+ 0 0 28 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.864 110.0 48.8 -73.6 -36.0 -8.6 21.3 2.1 27 153 A Y H X S+ 0 0 3 -4,-3.2 4,-2.0 2,-0.2 3,-0.4 0.948 115.0 43.9 -67.6 -48.1 -6.6 18.2 2.8 28 154 A R H < S+ 0 0 140 -4,-2.2 4,-0.3 1,-0.2 -2,-0.2 0.914 114.8 50.0 -62.7 -41.4 -6.6 17.2 -0.9 29 155 A E H < S+ 0 0 92 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.698 122.3 32.1 -70.4 -20.9 -5.9 20.8 -2.0 30 156 A N H >< S+ 0 0 7 -4,-1.2 3,-2.8 -3,-0.4 4,-0.3 0.514 81.9 100.3-117.0 -4.9 -3.0 21.1 0.4 31 157 A M G >< S+ 0 0 48 -4,-2.0 3,-1.7 1,-0.3 -3,-0.1 0.733 73.4 71.7 -56.8 -19.3 -1.3 17.7 0.8 32 158 A Y G 3 S+ 0 0 104 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.721 96.4 54.2 -68.1 -15.9 1.4 18.8 -1.7 33 159 A R G < S+ 0 0 0 -3,-2.8 -1,-0.3 2,-0.1 -2,-0.2 0.467 100.1 79.0 -92.9 -3.6 2.6 21.0 1.2 34 160 A Y S < S- 0 0 4 -3,-1.7 -21,-0.1 -4,-0.3 27,-0.0 -0.635 91.5 -84.6-104.4 161.2 2.8 18.0 3.6 35 161 A P - 0 0 8 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.214 26.6-172.6 -63.2 154.5 5.5 15.3 4.0 36 162 A N S S+ 0 0 46 1,-0.2 -25,-2.2 -23,-0.1 2,-0.3 0.134 74.6 37.5-128.3 11.0 5.4 12.1 1.8 37 163 A Q S S- 0 0 67 -27,-0.2 2,-0.3 23,-0.0 -1,-0.2 -0.974 75.4-134.1-156.6 157.4 8.2 10.4 3.7 38 164 A V - 0 0 0 -29,-0.3 -30,-3.5 -2,-0.3 2,-0.4 -0.801 8.3-128.6-125.0 163.8 9.3 10.1 7.4 39 165 A Y E +A 7 0A 56 17,-0.5 21,-0.3 -2,-0.3 2,-0.3 -0.903 39.6 158.9-105.3 131.7 12.3 10.2 9.8 40 166 A Y E -A 6 0A 26 -34,-2.1 -34,-3.4 -2,-0.4 3,-0.1 -0.984 37.4-122.7-151.5 158.5 12.7 7.3 12.2 41 167 A R - 0 0 85 -2,-0.3 -36,-0.1 -36,-0.2 15,-0.1 -0.700 59.9 -70.5 -98.6 155.0 15.2 5.5 14.4 42 168 A P > - 0 0 36 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 -0.150 45.3-125.4 -45.6 135.8 15.9 1.8 13.9 43 169 A V G > S+ 0 0 23 1,-0.3 3,-1.4 2,-0.1 9,-0.1 0.747 105.7 69.7 -57.7 -26.0 12.8 -0.1 15.0 44 170 A D G 3 S+ 0 0 132 1,-0.3 -1,-0.3 54,-0.1 55,-0.0 0.773 87.2 67.3 -65.7 -22.4 14.9 -2.2 17.3 45 171 A Q G < S+ 0 0 86 -3,-1.9 2,-0.4 2,-0.0 -1,-0.3 0.243 94.2 70.7 -82.4 14.0 15.5 0.8 19.6 46 172 A Y < - 0 0 32 -3,-1.4 3,-0.0 1,-0.1 4,-0.0 -0.983 67.0-149.2-132.8 144.4 11.9 0.9 20.6 47 173 A S S S+ 0 0 101 -2,-0.4 2,-0.2 2,-0.0 -1,-0.1 0.908 81.1 0.2 -76.0 -45.1 9.8 -1.4 22.8 48 174 A N S > S- 0 0 59 1,-0.0 4,-1.0 0, 0.0 -1,-0.0 -0.618 77.7 -96.7-131.4-169.5 6.5 -0.9 21.1 49 175 A Q H > S+ 0 0 70 -2,-0.2 4,-3.3 2,-0.2 5,-0.3 0.870 112.1 63.5 -82.0 -40.8 4.9 0.9 18.1 50 176 A N H > S+ 0 0 123 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.856 105.6 46.9 -52.9 -38.9 3.5 3.9 20.1 51 177 A N H > S+ 0 0 76 2,-0.2 4,-2.0 3,-0.2 -1,-0.2 0.930 113.1 47.4 -70.4 -46.6 7.0 5.0 21.0 52 178 A F H X S+ 0 0 0 -4,-1.0 4,-2.8 1,-0.2 5,-0.2 0.973 116.2 45.5 -57.0 -55.1 8.4 4.6 17.5 53 179 A V H X S+ 0 0 8 -4,-3.3 4,-2.7 1,-0.2 5,-0.2 0.904 111.1 50.3 -57.1 -48.7 5.4 6.5 16.1 54 180 A H H X S+ 0 0 126 -4,-2.4 4,-1.6 -5,-0.3 -1,-0.2 0.873 115.7 43.8 -60.3 -36.4 5.4 9.3 18.7 55 181 A D H X S+ 0 0 37 -4,-2.0 4,-2.1 2,-0.2 5,-0.2 0.898 113.6 50.5 -74.7 -41.1 9.1 9.9 18.0 56 182 A a H X S+ 0 0 0 -4,-2.8 4,-2.3 -5,-0.2 -17,-0.5 0.875 110.0 50.7 -64.0 -40.7 8.7 9.6 14.2 57 183 A V H X S+ 0 0 18 -4,-2.7 4,-2.6 -5,-0.2 5,-0.3 0.962 111.4 45.9 -64.4 -52.6 5.9 12.1 14.2 58 184 A N H X S+ 0 0 78 -4,-1.6 4,-2.0 -5,-0.2 5,-0.2 0.924 117.1 43.3 -58.4 -47.6 7.6 14.8 16.2 59 185 A I H X S+ 0 0 20 -4,-2.1 4,-2.1 2,-0.2 5,-0.2 0.896 115.6 48.2 -66.7 -41.0 10.9 14.6 14.3 60 186 A T H X S+ 0 0 4 -4,-2.3 4,-1.8 -21,-0.3 -2,-0.2 0.930 114.6 44.2 -66.1 -46.2 9.3 14.4 10.8 61 187 A V H X S+ 0 0 13 -4,-2.6 4,-2.4 -5,-0.2 5,-0.2 0.914 115.2 48.2 -63.4 -46.8 6.9 17.4 11.4 62 188 A K H X S+ 0 0 43 -4,-2.0 4,-2.3 -5,-0.3 5,-0.2 0.919 111.8 47.7 -62.0 -48.9 9.6 19.6 13.0 63 189 A Q H X S+ 0 0 17 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.885 113.3 51.8 -59.5 -40.5 12.2 18.9 10.3 64 190 A H H X S+ 0 0 27 -4,-1.8 4,-2.2 -5,-0.2 5,-0.3 0.902 109.8 46.0 -66.2 -43.7 9.6 19.6 7.7 65 191 A T H X S+ 0 0 6 -4,-2.4 4,-1.9 2,-0.2 71,-0.5 0.883 115.4 46.1 -72.1 -33.3 8.4 22.9 9.1 66 192 A V H X S+ 0 0 0 -4,-2.3 4,-0.9 69,-0.2 70,-0.6 0.948 116.3 43.6 -74.7 -41.8 11.9 24.3 9.6 67 193 A T H X S+ 0 0 45 -4,-2.4 4,-0.5 -5,-0.2 -2,-0.2 0.874 119.2 42.5 -70.7 -34.5 13.2 23.2 6.2 68 194 A T H >X S+ 0 0 7 -4,-2.2 4,-0.9 -5,-0.2 3,-0.9 0.883 110.9 53.2 -80.0 -35.8 10.1 24.4 4.3 69 195 A T H 3< S+ 0 0 2 -4,-1.9 4,-0.4 -5,-0.3 134,-0.3 0.730 99.5 66.1 -68.4 -19.1 9.6 27.7 6.1 70 196 A T H 3< S+ 0 0 4 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.837 106.9 40.7 -66.8 -33.1 13.2 28.5 5.3 71 197 A K H << S- 0 0 49 -3,-0.9 341,-0.3 -4,-0.5 -1,-0.2 0.617 138.7 -76.8 -88.3 -18.0 12.2 28.6 1.7 72 198 A G S < S+ 0 0 0 -4,-0.9 299,-0.3 340,-0.1 2,-0.3 0.535 74.0 136.8 117.8 96.0 8.9 30.5 2.5 73 199 A E - 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