==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 12-FEB-10 2KU5 . COMPND 2 MOLECULE: MAJOR PRION PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR D.R.PEREZ,F.F.DAMBERGER,K.WUTHRICH . 113 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7287.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 73 64.6 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 2.7 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 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 40.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.8 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 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 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 1 120 A S 0 0 145 0, 0.0 8,-0.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 136.6 11.7 15.0 -5.2 2 121 A V - 0 0 83 6,-0.2 2,-1.8 4,-0.1 8,-0.1 -0.896 360.0-151.2-150.1 112.2 7.9 14.6 -5.4 3 122 A V S S- 0 0 89 6,-0.5 2,-0.3 -2,-0.3 7,-0.0 -0.155 87.0 -47.9 -78.3 43.1 6.1 12.1 -7.8 4 123 A G S S- 0 0 73 -2,-1.8 -1,-0.1 1,-0.0 -2,-0.0 -0.701 128.8 -12.3 127.1 -70.6 3.1 14.5 -7.7 5 124 A G S S+ 0 0 44 -2,-0.3 66,-0.1 0, 0.0 -1,-0.0 0.251 95.0 113.0-150.8 13.0 2.4 15.3 -4.1 6 125 A L - 0 0 9 3,-0.1 -4,-0.1 1,-0.1 4,-0.1 0.903 60.4-150.8 -50.1 -56.5 4.6 12.8 -2.0 7 126 A G S S- 0 0 63 2,-0.2 -1,-0.1 1,-0.1 -5,-0.1 -0.036 78.7 -9.3 101.3 -27.9 6.9 15.6 -0.7 8 127 A G S S+ 0 0 41 2,-0.1 2,-0.3 1,-0.0 -6,-0.2 0.199 107.1 101.3 161.9 50.1 9.9 13.3 -0.3 9 128 A Y - 0 0 60 -8,-0.3 -6,-0.5 36,-0.1 2,-0.2 -0.922 67.7-108.1-130.4 163.7 9.0 9.6 -0.9 10 129 A M E -A 44 0A 73 34,-2.2 34,-1.8 -2,-0.3 2,-0.4 -0.576 26.2-146.0 -74.6 155.9 9.4 7.2 -3.7 11 130 A L E -A 43 0A 41 32,-0.2 32,-0.2 -2,-0.2 -9,-0.0 -1.000 22.2-135.5-126.0 120.8 6.1 6.2 -5.5 12 131 A G - 0 0 6 30,-3.1 2,-0.1 -2,-0.4 29,-0.0 -0.067 22.3 -87.2 -73.3 173.2 6.1 2.5 -6.6 13 132 A S - 0 0 83 28,-0.1 29,-0.4 1,-0.1 2,-0.4 -0.368 45.9-109.4 -69.6 157.6 5.1 0.9 -9.8 14 133 A A + 0 0 55 27,-0.1 27,-0.2 -2,-0.1 2,-0.2 -0.783 44.8 170.0 -94.9 139.2 1.5 -0.2 -10.2 15 134 A M - 0 0 63 25,-1.7 79,-0.0 -2,-0.4 -1,-0.0 -0.650 39.7 -54.3-135.7-176.4 0.7 -3.9 -10.2 16 135 A S - 0 0 106 -2,-0.2 -1,-0.2 1,-0.1 0, 0.0 -0.221 56.9-111.8 -59.0 162.1 -2.2 -6.4 -10.0 17 136 A R - 0 0 143 3,-0.0 -1,-0.1 77,-0.0 2,-0.1 -0.852 26.9-122.3-100.9 128.1 -4.7 -6.1 -7.2 18 137 A P - 0 0 31 0, 0.0 2,-0.8 0, 0.0 72,-0.1 -0.425 23.4-119.3 -63.7 141.2 -4.8 -8.8 -4.5 19 138 A M - 0 0 76 -2,-0.1 2,-0.6 71,-0.0 9,-0.1 -0.803 34.6-168.3 -77.3 108.2 -8.2 -10.5 -4.1 20 139 A I + 0 0 10 -2,-0.8 11,-0.1 8,-0.1 12,-0.1 -0.951 21.5 160.9-108.0 118.5 -8.9 -9.6 -0.5 21 140 A H > - 0 0 107 -2,-0.6 3,-1.8 10,-0.1 7,-0.5 0.432 29.2-153.8-125.5 -5.5 -11.9 -11.7 0.8 22 141 A F T 3 - 0 0 52 1,-0.3 3,-0.1 5,-0.2 -2,-0.0 0.302 54.1 -85.7 59.6 -4.6 -11.3 -11.4 4.6 23 142 A G T 3 S+ 0 0 82 1,-0.3 -1,-0.3 -2,-0.2 2,-0.1 0.624 99.5 123.0 71.8 13.7 -13.1 -14.7 5.4 24 143 A N < - 0 0 65 -3,-1.8 -1,-0.3 1,-0.1 4,-0.1 -0.436 67.5-134.3 -93.3 179.0 -16.3 -12.6 5.4 25 144 A D S S+ 0 0 149 -2,-0.1 -3,-0.1 -3,-0.1 -1,-0.1 0.259 105.9 26.0-118.6 8.0 -19.6 -12.9 3.4 26 145 A W S > S+ 0 0 101 -5,-0.1 4,-3.1 3,-0.1 5,-0.2 0.511 110.3 66.0-124.5 -40.0 -19.8 -9.2 2.6 27 146 A E H > S+ 0 0 32 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.822 102.7 51.0 -60.6 -31.6 -16.2 -7.9 2.7 28 147 A D H > S+ 0 0 45 -7,-0.5 4,-3.0 2,-0.2 -1,-0.2 1.000 116.9 37.3 -59.1 -66.9 -15.3 -10.1 -0.4 29 148 A R H > S+ 0 0 159 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.833 117.1 54.1 -58.8 -37.5 -18.2 -8.8 -2.6 30 149 A Y H >X S+ 0 0 39 -4,-3.1 4,-2.1 2,-0.2 3,-0.5 0.962 113.7 39.8 -57.0 -59.9 -17.8 -5.3 -1.1 31 150 A Y H 3X S+ 0 0 2 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.906 109.1 62.4 -60.5 -43.1 -14.1 -5.1 -2.0 32 151 A R H 3< S+ 0 0 155 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.811 111.3 40.1 -53.5 -37.7 -14.7 -6.9 -5.4 33 152 A E H X< S+ 0 0 143 -4,-1.6 3,-0.7 -3,-0.5 -2,-0.2 0.983 122.9 34.8 -67.1 -68.2 -16.9 -3.9 -6.4 34 153 A N H >< S+ 0 0 44 -4,-2.1 3,-2.7 1,-0.2 4,-0.3 0.513 82.0 107.2 -80.3 -7.7 -15.0 -0.9 -5.0 35 154 A M G >< + 0 0 27 -4,-2.4 3,-1.3 1,-0.3 -1,-0.2 0.659 68.6 67.7 -46.2 -31.9 -11.4 -2.1 -5.6 36 155 A Y G < S+ 0 0 172 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.1 0.734 87.3 71.2 -65.1 -21.2 -10.7 0.3 -8.5 37 156 A R G < S+ 0 0 86 -3,-2.7 -1,-0.2 2,-0.1 -2,-0.2 0.740 84.2 86.4 -63.1 -28.1 -11.0 3.3 -6.0 38 157 A Y S < S- 0 0 17 -3,-1.3 2,-0.2 -4,-0.3 49,-0.0 -0.345 94.8 -93.4 -79.0 157.1 -7.7 2.4 -4.4 39 158 A P - 0 0 19 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.500 29.9-145.0 -60.3 131.4 -4.2 3.5 -5.4 40 159 A N S S+ 0 0 71 -2,-0.2 -25,-1.7 -4,-0.1 2,-0.2 0.299 82.4 34.3 -82.6 7.2 -2.9 0.7 -7.6 41 160 A Q S S- 0 0 64 -27,-0.2 2,-0.3 23,-0.0 -27,-0.1 -0.814 80.2-121.5-150.7 176.1 0.6 1.3 -6.2 42 161 A V - 0 0 2 -29,-0.4 -30,-3.1 -2,-0.2 2,-0.2 -0.939 10.0-128.7-135.2 155.0 2.2 2.4 -2.9 43 162 A Y E +A 11 0A 30 17,-0.3 21,-0.3 -2,-0.3 2,-0.3 -0.636 36.7 162.5 -91.8 158.9 4.5 5.2 -1.5 44 163 A Y E -A 10 0A 18 -34,-1.8 -34,-2.2 -2,-0.2 16,-0.1 -0.988 34.3-121.6-168.4 166.6 7.6 4.4 0.6 45 164 A R - 0 0 78 -2,-0.3 2,-0.3 -36,-0.2 -36,-0.1 -0.695 52.2 -81.6-107.0 163.9 11.0 5.4 2.2 46 165 A P - 0 0 51 0, 0.0 3,-0.3 0, 0.0 57,-0.0 -0.549 30.0-134.1 -75.3 132.0 14.3 3.6 1.5 47 166 A V S >> S+ 0 0 2 -2,-0.3 3,-2.5 1,-0.2 4,-1.3 0.578 81.7 105.5 -57.2 -10.7 14.9 0.5 3.6 48 167 A S T 34 S+ 0 0 76 1,-0.3 -1,-0.2 2,-0.2 55,-0.0 0.115 87.3 34.9 -67.7 22.1 18.5 1.8 4.3 49 168 A Q T 34 S+ 0 0 111 -2,-0.9 -1,-0.3 -3,-0.3 -2,-0.1 0.121 115.0 57.7-147.0 15.7 17.5 2.8 7.9 50 169 A Y T <4 + 0 0 34 -3,-2.5 2,-2.0 2,-0.1 -2,-0.2 0.787 55.8 179.0-118.2 -56.6 15.1 -0.0 8.7 51 170 A S < + 0 0 98 -4,-1.3 -3,-0.1 1,-0.2 -4,-0.1 -0.137 64.9 81.7 67.1 -38.5 16.7 -3.5 8.3 52 171 A N S S- 0 0 89 -2,-2.0 -1,-0.2 1,-0.1 -2,-0.1 -0.233 75.6-141.1 -64.5 178.4 13.4 -5.1 9.4 53 172 A Q S > S+ 0 0 77 -3,-0.1 4,-1.7 3,-0.1 -1,-0.1 0.680 94.1 50.3-103.1 -37.9 10.6 -5.7 6.8 54 173 A N H > S+ 0 0 87 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.824 102.2 58.2 -85.2 -33.2 7.6 -4.9 9.0 55 174 A N H > S+ 0 0 92 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.927 108.8 48.5 -51.4 -50.8 8.8 -1.6 10.4 56 175 A F H > S+ 0 0 2 2,-0.2 4,-0.6 1,-0.2 -2,-0.2 0.903 109.1 53.7 -59.4 -45.9 9.0 -0.4 6.7 57 176 A V H >X S+ 0 0 7 -4,-1.7 4,-3.3 1,-0.2 3,-1.4 0.932 110.0 45.3 -62.6 -46.4 5.5 -1.7 6.0 58 177 A H H 3X S+ 0 0 137 -4,-2.7 4,-2.1 1,-0.3 -1,-0.2 0.929 112.0 53.7 -57.2 -43.1 4.0 0.3 8.9 59 178 A D H 3X S+ 0 0 64 -4,-2.3 4,-0.7 1,-0.2 -1,-0.3 0.546 118.6 34.6 -70.7 -8.0 5.9 3.3 7.9 60 179 A C H X S+ 0 0 111 -4,-3.5 4,-0.8 -5,-0.3 3,-0.5 0.924 109.2 48.4 -47.1 -60.3 -2.2 9.1 5.0 67 186 A Q H >X S+ 0 0 23 -4,-2.7 4,-2.3 1,-0.2 3,-2.2 0.951 115.7 42.9 -45.4 -62.2 -1.7 10.7 1.6 68 187 A H H 3<>S+ 0 0 16 -4,-2.4 5,-1.6 1,-0.3 -1,-0.2 0.789 111.1 56.4 -58.9 -23.3 -5.0 9.2 0.3 69 188 A T H <<5S+ 0 0 57 -4,-2.4 -1,-0.3 -3,-0.5 -2,-0.2 0.565 127.7 18.2 -88.0 -4.8 -6.8 10.2 3.6 70 189 A V H X5S+ 0 0 44 -4,-2.3 4,-1.4 -5,-0.2 3,-1.3 0.966 126.1 26.8 -49.1 -78.8 -4.8 14.2 -0.7 72 191 A T H 34>S+ 0 0 23 -5,-0.3 5,-2.1 1,-0.3 3,-0.4 0.929 118.3 60.8 -66.0 -37.3 -7.6 12.3 -2.5 73 192 A T H 34> - 0 0 74 -2,-0.2 4,-3.1 1,-0.1 3,-0.5 -0.571 37.5-103.1 -93.3 164.1 -15.4 5.1 5.4 81 200 A E H 3> S+ 0 0 137 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.865 125.6 59.1 -51.2 -36.4 -13.4 3.2 8.0 82 201 A T H 3> S+ 0 0 44 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.856 112.4 36.3 -65.9 -37.9 -14.7 0.1 6.2 83 202 A D H X> S+ 0 0 6 -3,-0.5 4,-2.5 2,-0.2 3,-0.7 0.900 112.6 57.3 -79.6 -46.0 -13.2 1.2 2.9 84 203 A V H 3X S+ 0 0 35 -4,-3.1 4,-2.5 1,-0.3 -2,-0.2 0.823 106.9 53.1 -56.0 -33.4 -10.0 2.7 4.5 85 204 A K H 3X S+ 0 0 94 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.3 0.833 105.6 50.3 -69.3 -37.0 -9.6 -0.9 6.0 86 205 A M H < S+ 0 0 35 -4,-2.9 3,-1.1 1,-0.2 -2,-0.2 0.795 109.4 57.9 -69.8 -23.2 13.6 -2.3 -2.9 103 222 A S H >X>S+ 0 0 8 -4,-2.6 3,-2.4 -5,-0.3 4,-2.2 0.964 103.9 51.3 -56.5 -54.8 15.5 -4.5 -0.4 104 223 A Q T 3<5S+ 0 0 99 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.226 112.0 48.2 -67.3 12.5 17.0 -6.2 -3.5 105 224 A A T <45S+ 0 0 67 -3,-1.1 -1,-0.3 8,-0.0 -2,-0.2 0.103 114.8 45.2-129.1 11.4 17.8 -2.5 -4.6 106 225 A Y T <45S+ 0 0 108 -3,-2.4 3,-0.4 -5,-0.2 -2,-0.2 0.688 126.0 21.8-118.8 -58.3 19.4 -1.6 -1.2 107 226 A Y T ><5S+ 0 0 84 -4,-2.2 3,-1.9 1,-0.2 4,-0.2 0.636 101.6 93.8 -87.7 -15.2 21.7 -4.4 -0.2 108 227 A D G > < + 0 0 44 -5,-0.7 3,-2.1 1,-0.3 5,-0.4 0.648 59.9 84.0 -53.6 -23.1 22.0 -5.6 -3.8 109 228 A G G 3 S+ 0 0 67 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.655 86.0 56.9 -61.7 -19.2 25.1 -3.6 -4.4 110 229 A R G < S+ 0 0 198 -3,-1.9 -1,-0.3 2,-0.0 -2,-0.2 0.615 115.7 37.2 -84.8 -19.8 27.2 -6.5 -2.9 111 230 A R S < S- 0 0 181 -3,-2.1 0, 0.0 -4,-0.2 0, 0.0 -0.216 98.1-106.5 -98.8-164.0 25.7 -8.9 -5.5 112 231 A S 0 0 126 -2,-0.1 -3,-0.1 0, 0.0 -4,-0.1 0.297 360.0 360.0 -98.8 3.4 24.9 -8.2 -9.1 113 232 A S 0 0 111 -5,-0.4 -4,-0.1 -6,-0.1 -9,-0.1 0.666 360.0 360.0 95.5 360.0 21.3 -8.2 -7.8