==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-JUL-09 3IBE . COMPND 2 MOLECULE: PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.BARD,K.SVENSON . 850 11 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36458.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 570 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 99 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 57 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 111 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 269 31.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.9 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 4 1 3 1 6 2 2 1 2 1 1 3 1 1 0 0 0 0 1 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 6 9 3 2 1 0 0 3 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 3 3 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 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 1 143 A M > 0 0 115 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 -97.4 40.3 -30.8 50.6 2 144 A S T 3 + 0 0 108 1,-0.2 4,-0.1 2,-0.2 0, 0.0 0.119 360.0 67.0 -71.0 22.4 37.1 -28.7 50.5 3 145 A E T 3 S+ 0 0 140 2,-0.1 -1,-0.2 3,-0.1 4,-0.2 0.518 91.4 53.3-113.9 -21.2 39.6 -26.4 52.3 4 146 A E S < S+ 0 0 44 -3,-1.6 -2,-0.2 2,-0.1 0, 0.0 0.380 113.3 48.7 -88.1 0.6 41.9 -25.9 49.3 5 147 A S S > S+ 0 0 53 -4,-0.3 4,-3.1 2,-0.1 5,-0.2 0.656 105.4 53.1-106.2 -29.6 38.7 -24.8 47.6 6 148 A Q T 4 S+ 0 0 58 2,-0.2 -2,-0.1 1,-0.2 -3,-0.1 0.462 112.3 47.6 -85.7 -3.8 37.4 -22.4 50.2 7 149 A A T > S+ 0 0 59 -4,-0.2 4,-0.8 3,-0.1 -1,-0.2 0.590 114.4 47.5 -98.1 -25.9 40.8 -20.7 50.0 8 150 A F H > S+ 0 0 26 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.902 113.4 44.3 -77.5 -47.3 40.4 -20.8 46.2 9 151 A Q H X S+ 0 0 27 -4,-3.1 4,-1.6 1,-0.3 -3,-0.2 0.787 112.8 55.3 -67.2 -22.9 36.9 -19.4 46.3 10 152 A R H > S+ 0 0 57 -5,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.822 108.5 47.5 -74.1 -32.7 38.4 -17.1 48.8 11 153 A Q H >X S+ 0 0 70 -4,-0.8 4,-1.6 2,-0.2 3,-1.1 0.981 113.8 46.1 -66.0 -58.8 41.0 -16.2 46.2 12 154 A L H 3X S+ 0 0 0 -4,-3.2 4,-1.1 1,-0.3 -2,-0.2 0.771 106.2 58.4 -56.3 -32.9 38.3 -15.7 43.5 13 155 A T H 3X>S+ 0 0 38 -4,-1.6 4,-2.1 -5,-0.2 5,-0.7 0.856 106.8 49.5 -69.6 -29.2 36.0 -13.6 45.7 14 156 A A H <<5S+ 0 0 60 -3,-1.1 -2,-0.2 -4,-0.8 -1,-0.2 0.883 109.0 50.3 -73.9 -43.8 38.9 -11.1 46.2 15 157 A L H <5S+ 0 0 5 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.714 117.1 42.7 -62.6 -26.2 39.7 -10.8 42.5 16 158 A I H <5S- 0 0 1 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.891 92.0-134.1 -95.0 -48.3 36.0 -10.2 41.7 17 159 A G T <5S+ 0 0 52 -4,-2.1 2,-0.3 -5,-0.2 -3,-0.1 0.665 79.7 75.9 92.9 18.7 34.7 -7.8 44.3 18 160 A Y S - 0 0 63 -2,-0.3 3,-2.4 1,-0.1 -6,-0.1 -0.690 16.7-165.0 -86.0 97.1 30.8 -13.2 46.7 20 162 A V T 3 S+ 0 0 12 -2,-1.1 -1,-0.1 1,-0.3 15,-0.1 0.290 84.9 64.7 -65.4 11.7 29.1 -15.5 44.2 21 163 A T T 3 S+ 0 0 67 11,-0.0 2,-0.5 2,-0.0 -1,-0.3 0.466 76.4 111.9-106.7 -4.2 28.0 -17.8 47.0 22 164 A D < + 0 0 56 -3,-2.4 3,-0.2 1,-0.1 0, 0.0 -0.578 33.8 170.3 -80.5 121.0 25.8 -15.1 48.6 23 165 A V > + 0 0 99 -2,-0.5 3,-1.1 1,-0.1 -1,-0.1 0.202 46.4 111.5-111.1 8.7 22.1 -15.8 48.4 24 166 A S T 3 S+ 0 0 82 1,-0.3 -1,-0.1 271,-0.0 -2,-0.1 0.455 84.7 40.5 -62.4 -1.0 21.0 -13.0 50.6 25 167 A N T 3 S+ 0 0 4 -3,-0.2 268,-0.5 272,-0.0 2,-0.3 -0.055 96.4 82.6-145.6 43.1 19.4 -11.3 47.6 26 168 A V < - 0 0 51 -3,-1.1 266,-0.1 266,-0.1 3,-0.0 -0.998 47.2-159.8-150.7 145.7 17.7 -13.8 45.4 27 169 A H S S+ 0 0 62 -2,-0.3 2,-0.3 246,-0.0 -1,-0.0 -0.015 81.4 26.3-112.1 24.6 14.3 -15.6 45.1 28 170 A D S S- 0 0 40 235,-0.0 3,-0.4 0, 0.0 4,-0.2 -0.972 81.5-105.0-168.1 177.8 15.4 -18.5 42.8 29 171 A D S > S+ 0 0 64 -2,-0.3 4,-3.4 1,-0.2 5,-0.2 -0.061 76.6 115.7-103.6 35.2 18.5 -20.5 41.9 30 172 A E H > S+ 0 0 5 2,-0.2 4,-1.9 1,-0.2 426,-0.2 0.879 77.4 47.6 -73.3 -37.5 19.1 -18.8 38.5 31 173 A L H > S+ 0 0 25 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.887 120.5 39.2 -68.9 -37.2 22.4 -17.3 39.3 32 174 A E H > S+ 0 0 88 2,-0.2 4,-2.2 -4,-0.2 -2,-0.2 0.902 110.9 56.2 -77.5 -44.2 23.5 -20.6 40.8 33 175 A F H X S+ 0 0 83 -4,-3.4 4,-1.4 1,-0.2 -2,-0.2 0.904 111.9 47.7 -53.0 -37.5 21.9 -22.7 38.1 34 176 A T H X S+ 0 0 3 -4,-1.9 4,-2.1 2,-0.3 -2,-0.2 0.867 102.1 58.2 -74.8 -42.2 24.0 -20.5 35.8 35 177 A R H < S+ 0 0 44 -4,-1.9 -1,-0.2 1,-0.2 4,-0.2 0.910 113.7 45.0 -48.8 -38.6 27.3 -20.9 37.7 36 178 A R H >< S+ 0 0 64 -4,-2.2 3,-1.0 1,-0.2 4,-0.3 0.848 108.3 54.5 -77.0 -34.9 26.6 -24.5 37.0 37 179 A G H >< S+ 0 0 20 -4,-1.4 3,-1.1 1,-0.2 -2,-0.2 0.913 100.5 58.7 -67.8 -38.7 25.6 -24.2 33.4 38 180 A L T 3X S+ 0 0 5 -4,-2.1 4,-1.7 1,-0.3 -1,-0.2 0.508 80.1 88.7 -74.9 -5.5 28.7 -22.4 32.2 39 181 A V H <> S+ 0 0 28 -3,-1.0 4,-2.5 -4,-0.2 -1,-0.3 0.864 85.5 53.6 -60.9 -36.4 31.1 -25.2 33.3 40 182 A T H <> S+ 0 0 97 -3,-1.1 4,-2.8 -4,-0.3 -1,-0.2 0.954 107.9 44.5 -66.5 -53.3 30.8 -27.0 30.1 41 183 A P H > S+ 0 0 12 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.784 115.0 52.2 -67.0 -28.3 31.7 -24.1 27.6 42 184 A R H >X S+ 0 0 4 -4,-1.7 4,-2.7 2,-0.2 3,-0.9 0.985 112.7 43.6 -61.3 -61.1 34.6 -23.2 29.9 43 185 A M H 3X S+ 0 0 96 -4,-2.5 4,-1.4 1,-0.3 -3,-0.2 0.791 110.6 55.6 -61.8 -30.1 35.8 -26.7 29.9 44 186 A A H 3X S+ 0 0 57 -4,-2.8 4,-1.3 2,-0.2 -1,-0.3 0.861 113.2 41.3 -67.1 -36.0 35.3 -27.1 26.2 45 187 A E H - 0 0 78 419,-0.2 4,-1.5 1,-0.1 5,-0.1 -0.620 17.4-146.0 -82.3 125.9 46.3 -24.5 22.0 51 193 A P H > S+ 0 0 70 0, 0.0 4,-1.5 0, 0.0 5,-0.2 0.913 90.7 44.7 -58.9 -53.5 49.0 -24.2 24.8 52 194 A K H > S+ 0 0 142 1,-0.2 4,-1.2 2,-0.2 3,-0.3 0.931 118.9 42.8 -60.2 -48.0 52.0 -22.6 23.0 53 195 A L H > S+ 0 0 76 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.764 110.1 56.9 -72.2 -25.5 49.9 -20.0 21.2 54 196 A Y H < S+ 0 0 5 -4,-1.5 417,-0.3 2,-0.2 -1,-0.2 0.848 107.6 48.8 -72.9 -30.1 47.8 -19.3 24.2 55 197 A A H < S+ 0 0 8 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.754 119.8 37.0 -81.1 -25.7 50.9 -18.4 26.1 56 198 A M H < S- 0 0 8 -4,-1.2 69,-0.6 -5,-0.2 -2,-0.2 0.527 84.8-163.5-103.3 -12.2 52.2 -16.1 23.4 57 199 A H < - 0 0 29 -4,-1.3 -3,-0.1 -5,-0.2 -4,-0.1 0.742 17.2-147.0 31.7 45.5 48.8 -14.8 22.5 58 200 A P - 0 0 24 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 -0.077 3.6-140.9 -43.5 128.1 50.1 -13.5 19.1 59 201 A W + 0 0 63 66,-0.4 77,-2.2 -3,-0.2 78,-0.5 -0.818 42.7 146.7-100.6 96.4 48.2 -10.4 18.4 60 202 A V B -A 135 0A 39 -2,-1.0 2,-0.3 75,-0.2 376,-0.3 -0.744 33.9-147.1-124.7 173.3 47.5 -10.5 14.6 61 203 A T - 0 0 0 73,-2.3 -2,-0.0 -2,-0.2 374,-0.0 -0.968 15.7-144.6-139.3 152.5 44.9 -9.5 12.0 62 204 A S + 0 0 92 -2,-0.3 73,-0.0 2,-0.1 72,-0.0 -0.174 66.0 115.3-107.7 36.2 43.8 -10.9 8.7 63 205 A K S S- 0 0 45 71,-0.1 2,-0.5 1,-0.0 -2,-0.1 -0.444 72.2 -97.3 -96.4 174.5 43.2 -7.5 7.2 64 206 A P - 0 0 102 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.865 41.2-105.2 -95.9 126.5 45.0 -5.8 4.3 65 207 A L - 0 0 18 -2,-0.5 5,-0.1 1,-0.1 69,-0.1 -0.229 47.9-109.7 -46.4 123.4 47.8 -3.4 5.0 66 208 A P > - 0 0 7 0, 0.0 4,-0.6 0, 0.0 3,-0.3 -0.092 23.4-107.5 -60.2 160.0 46.3 0.1 4.4 67 209 A E H >> S+ 0 0 147 571,-0.2 4,-1.0 1,-0.2 3,-0.9 0.876 119.5 54.2 -49.5 -41.8 47.4 2.1 1.4 68 210 A Y H 34 S+ 0 0 61 1,-0.3 3,-0.4 2,-0.2 -1,-0.2 0.863 100.3 55.2 -70.3 -36.4 49.2 4.4 3.8 69 211 A L H 34 S+ 0 0 16 -3,-0.3 -1,-0.3 1,-0.2 3,-0.2 0.593 104.1 59.3 -74.4 -5.2 51.3 1.8 5.6 70 212 A W H X< S+ 0 0 104 -3,-0.9 3,-2.9 -4,-0.6 -1,-0.2 0.837 91.5 64.9 -84.1 -36.0 52.6 0.7 2.1 71 213 A K T 3< S+ 0 0 96 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.502 100.2 53.9 -66.7 -2.5 54.0 4.2 1.4 72 214 A K T 3 S+ 0 0 57 -4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.101 82.3 115.8-107.8 15.7 56.4 3.4 4.3 73 215 A I < - 0 0 37 -3,-2.9 4,-0.3 1,-0.1 -2,-0.1 0.934 60.7-151.9 -49.0 -71.2 57.2 0.2 2.4 74 216 A A - 0 0 62 -4,-0.2 -1,-0.1 2,-0.1 -3,-0.1 0.856 69.2 -52.7 86.1 49.0 60.9 0.7 1.6 75 217 A N S S- 0 0 96 1,-0.2 3,-0.1 3,-0.0 -1,-0.0 0.926 106.2 -49.5 50.8 59.8 60.9 -1.4 -1.6 76 218 A N S S+ 0 0 94 1,-0.2 2,-0.4 18,-0.0 -1,-0.2 0.852 113.9 117.2 55.1 39.4 59.4 -4.7 -0.2 77 219 A C - 0 0 12 -4,-0.3 2,-0.4 17,-0.1 17,-0.2 -0.978 40.9-176.8-142.2 123.9 61.8 -4.6 2.7 78 220 A I E -B 93 0B 20 15,-2.8 15,-0.9 -2,-0.4 2,-0.5 -0.986 23.1-137.0-119.0 129.8 61.1 -4.4 6.4 79 221 A F E -B 92 0B 100 -2,-0.4 2,-0.4 13,-0.2 69,-0.4 -0.756 19.5-172.2 -95.2 131.4 64.1 -4.2 8.7 80 222 A I - 0 0 7 11,-1.6 2,-0.4 -2,-0.5 11,-0.2 -0.977 9.3-151.1-128.7 126.8 64.0 -6.2 11.9 81 223 A V E -c 149 0C 17 67,-1.2 69,-1.2 -2,-0.4 2,-0.4 -0.780 10.1-165.8-101.5 132.3 66.6 -6.0 14.7 82 224 A I E -c 150 0C 9 -2,-0.4 7,-1.0 7,-0.3 2,-0.4 -0.922 4.4-169.8-118.7 145.3 67.4 -9.0 17.0 83 225 A H + 0 0 50 67,-1.4 5,-0.2 -2,-0.4 69,-0.2 -0.966 13.0 171.9-135.5 119.1 69.3 -9.0 20.3 84 226 A R S S- 0 0 145 -2,-0.4 -1,-0.1 67,-0.1 4,-0.1 0.930 80.7 -31.3 -89.4 -54.6 70.5 -12.1 22.2 85 227 A S S S- 0 0 102 66,-0.0 -2,-0.0 0, 0.0 0, 0.0 0.547 127.3 -25.4-125.2 -74.0 72.7 -10.6 25.0 86 228 A T S S+ 0 0 146 2,-0.0 2,-0.0 0, 0.0 -3,-0.0 0.192 115.2 106.5-121.6 5.4 74.4 -7.4 24.1 87 229 A T + 0 0 90 2,-0.0 2,-0.2 0, 0.0 0, 0.0 -0.206 42.8 176.9 -86.7 173.9 74.3 -8.3 20.4 88 230 A S - 0 0 77 -5,-0.2 2,-0.2 -4,-0.1 -5,-0.2 -0.820 7.4-178.4-179.2 135.4 72.2 -6.9 17.6 89 231 A Q - 0 0 46 -7,-1.0 -7,-0.3 -2,-0.2 -9,-0.1 -0.696 21.6-137.6-153.7 93.2 71.9 -7.5 13.9 90 232 A T - 0 0 88 -2,-0.2 2,-0.3 -9,-0.2 -9,-0.2 -0.003 24.8-164.1 -40.0 150.7 69.5 -5.7 11.4 91 233 A I - 0 0 26 -11,-0.2 -11,-1.6 2,-0.0 -13,-0.1 -0.858 18.7-129.8-153.2 116.8 67.9 -8.0 8.9 92 234 A K E +B 79 0B 138 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.343 37.0 179.0 -61.4 139.0 66.0 -7.3 5.6 93 235 A V E -B 78 0B 5 -15,-0.9 -15,-2.8 4,-0.0 9,-0.0 -0.976 29.2-118.8-143.3 152.4 62.7 -9.1 5.5 94 236 A S > - 0 0 30 -2,-0.3 3,-2.1 -17,-0.2 38,-0.3 -0.700 26.6-124.3 -88.9 145.6 59.8 -9.4 3.2 95 237 A P T 3 S+ 0 0 11 0, 0.0 38,-1.9 0, 0.0 37,-0.2 0.853 113.4 51.6 -58.4 -33.3 56.4 -8.2 4.5 96 238 A D T 3 S+ 0 0 89 35,-0.2 2,-0.0 36,-0.2 -2,-0.0 0.365 84.5 119.6 -84.7 5.1 54.9 -11.7 3.7 97 239 A D < - 0 0 45 -3,-2.1 35,-2.4 34,-0.1 36,-0.3 -0.380 57.3-138.8 -65.7 147.9 57.7 -13.4 5.7 98 240 A T - 0 0 33 33,-0.2 4,-0.1 34,-0.1 31,-0.1 -0.534 22.1-109.7 -92.5 170.7 56.6 -15.5 8.6 99 241 A P S >> S+ 0 0 5 0, 0.0 3,-1.9 0, 0.0 4,-1.2 0.960 119.7 48.5 -57.8 -55.0 58.3 -15.7 12.0 100 242 A G H >> S+ 0 0 31 28,-0.4 4,-1.4 1,-0.3 3,-1.1 0.943 107.5 55.2 -50.9 -54.6 59.5 -19.3 11.4 101 243 A A H 3> S+ 0 0 47 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.546 108.0 52.9 -51.1 -10.7 60.8 -18.3 8.0 102 244 A I H <> S+ 0 0 3 -3,-1.9 4,-0.6 2,-0.2 -1,-0.2 0.690 103.7 49.2-110.5 -25.0 62.9 -15.6 9.7 103 245 A L H -D 150 0C 1 5,-2.8 3,-1.0 31,-0.2 2,-0.6 -0.620 35.5-101.9 -87.9 148.3 59.4 -7.9 21.5 120 275 A C T 3 S+ 0 0 18 29,-1.2 485,-0.3 -2,-0.3 29,-0.1 -0.533 101.6 1.6 -73.1 112.9 61.8 -5.6 23.3 121 276 A G T 3 S+ 0 0 7 -2,-0.6 453,-0.5 1,-0.3 2,-0.3 0.157 119.7 71.9 106.8 -13.2 60.2 -4.3 26.5 122 277 A R S < S- 0 0 47 -3,-1.0 2,-0.3 2,-0.2 -1,-0.3 -0.766 83.0-115.6-130.6 166.2 56.9 -6.0 26.3 123 278 A D S S+ 0 0 35 449,-1.3 2,-0.4 -2,-0.3 450,-0.1 -0.362 73.2 128.5 -99.1 51.1 55.3 -9.4 26.7 124 279 A E - 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0 0 10 -3,-1.1 2,-0.1 2,-0.0 -3,-0.0 -0.883 66.3-131.9-101.1 130.8 35.1 -12.5 14.1 434 652 A E >> - 0 0 57 -2,-0.5 3,-1.4 1,-0.1 4,-1.2 -0.373 34.5-102.6 -71.2 160.6 38.9 -12.8 14.4 435 653 A D H 3> S+ 0 0 41 1,-0.3 4,-1.6 2,-0.2 5,-0.2 0.826 118.9 70.6 -57.8 -30.3 40.1 -11.8 17.9 436 654 A D H 3> S+ 0 0 8 -376,-0.3 4,-0.7 1,-0.2 -1,-0.3 0.915 104.4 39.9 -50.0 -41.2 41.2 -8.5 16.4 437 655 A D H <> S+ 0 0 36 -3,-1.4 4,-1.0 1,-0.2 -1,-0.2 0.757 105.0 64.7 -86.7 -26.7 37.6 -7.5 16.0 438 656 A V H X S+ 0 0 3 -4,-1.2 4,-1.5 1,-0.2 3,-0.3 0.848 101.4 52.1 -62.2 -33.9 36.4 -8.9 19.2 439 657 A L H < S+ 0 0 23 -4,-1.6 4,-0.4 1,-0.2 -1,-0.2 0.814 103.4 58.2 -73.0 -31.5 38.6 -6.4 21.1 440 658 A H H < S+ 0 0 37 -4,-0.7 -1,-0.2 -5,-0.2 -2,-0.2 0.812 122.6 23.1 -63.8 -31.3 37.1 -3.5 19.1 441 659 A Y H >X S+ 0 0 21 -4,-1.0 4,-2.3 -3,-0.3 3,-0.7 0.402 88.8 105.5-121.1 -5.2 33.6 -4.3 20.3 442 660 A L H 3X S+ 0 0 2 -4,-1.5 4,-1.1 1,-0.2 5,-0.2 0.860 80.3 54.3 -48.6 -45.7 34.1 -6.3 23.6 443 661 A L H 3> S+ 0 0 5 -4,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.900 112.4 44.2 -59.0 -40.6 33.1 -3.4 25.8 444 662 A Q H <> S+ 0 0 3 -3,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.869 113.2 50.5 -66.5 -41.0 29.8 -3.1 23.9 445 663 A L H < S+ 0 0 2 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.517 110.6 50.1 -83.3 -7.5 29.3 -6.8 23.9 446 664 A V H >< S+ 0 0 0 -4,-1.1 3,-1.3 -5,-0.3 -1,-0.2 0.776 113.2 45.4 -85.7 -38.7 29.9 -6.8 27.5 447 665 A Q H >< S+ 0 0 10 -4,-2.0 3,-1.9 1,-0.3 -2,-0.2 0.812 101.3 68.1 -71.6 -23.2 27.4 -4.0 27.9 448 666 A A G >< S+ 0 0 1 -4,-2.0 3,-0.6 1,-0.3 -1,-0.3 0.449 82.3 76.4 -78.1 1.9 24.9 -5.8 25.6 449 667 A V G < S+ 0 0 0 -3,-1.3 3,-0.3 1,-0.2 -1,-0.3 0.432 79.3 72.3 -85.9 -5.6 24.6 -8.4 28.3 450 668 A K G < S+ 0 0 6 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.567 93.9 52.8 -85.4 -9.2 22.4 -5.9 30.2 451 669 A F S < S+ 0 0 9 -3,-0.6 -1,-0.2 -38,-0.2 -2,-0.2 0.402 83.7 107.7-108.4 -4.0 19.6 -6.5 27.7 452 670 A E - 0 0 17 -3,-0.3 -34,-0.1 1,-0.1 5,-0.0 -0.601 62.1-148.8 -70.3 138.1 19.6 -10.3 28.1 453 671 A P S S+ 0 0 21 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.834 80.1 42.8 -78.7 -35.7 16.6 -11.6 30.0 454 672 A Y S S- 0 0 21 1,-0.1 -191,-0.0 2,-0.1 -2,-0.0 -0.923 79.6-128.7-118.7 140.8 18.3 -14.6 31.6 455 673 A H S S+ 0 0 18 -2,-0.4 2,-0.5 -3,-0.0 5,-0.2 0.937 100.1 59.9 -50.9 -65.7 21.8 -14.7 33.2 456 674 A D S S+ 0 0 36 -426,-0.2 2,-0.3 4,-0.1 -2,-0.1 -0.574 77.8 151.3 -60.8 118.4 23.0 -17.7 31.2 457 675 A S > - 0 0 13 -2,-0.5 4,-1.2 -4,-0.1 5,-0.1 -0.898 60.0-108.3-145.0 167.3 22.7 -16.5 27.6 458 676 A A H > S+ 0 0 50 -2,-0.3 4,-0.5 2,-0.2 5,-0.1 0.776 118.6 56.1 -72.8 -27.2 24.5 -17.3 24.3 459 677 A L H >> S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 3,-1.5 0.966 106.3 49.6 -67.4 -52.9 26.1 -13.9 24.4 460 678 A A H 3> S+ 0 0 3 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.845 109.2 52.3 -48.3 -39.7 27.6 -14.6 27.8 461 679 A R H 3X S+ 0 0 77 -4,-1.2 4,-1.3 1,-0.2 -1,-0.3 0.659 109.0 52.4 -78.8 -11.2 28.9 -18.0 26.5 462 680 A F H X S+ 0 0 65 -4,-1.3 3,-1.1 1,-0.2 4,-1.0 0.990 118.1 42.3 -60.3 -71.2 34.6 -18.7 25.0 466 684 A R H 3X S+ 0 0 4 -4,-1.8 4,-0.8 1,-0.3 -2,-0.2 0.718 113.4 52.9 -46.6 -35.2 36.5 -16.0 23.1 467 685 A G H 3< S+ 0 0 0 -4,-2.1 7,-0.3 1,-0.2 3,-0.3 0.873 110.4 46.0 -73.5 -39.6 38.0 -14.6 26.3 468 686 A L H << S+ 0 0 0 -4,-1.7 -1,-0.2 -3,-1.1 -2,-0.2 0.591 108.5 58.9 -74.0 -13.1 39.4 -17.9 27.5 469 687 A R H < S+ 0 0 94 -4,-1.0 2,-0.3 1,-0.2 -1,-0.2 0.711 112.9 33.7 -91.3 -22.7 40.8 -18.6 24.0 470 688 A N S X S- 0 0 20 -4,-0.8 4,-0.9 -3,-0.3 -1,-0.2 -0.985 72.5-142.8-133.0 138.7 43.0 -15.5 23.7 471 689 A K H > S+ 0 0 32 -2,-0.3 4,-2.3 -417,-0.3 5,-0.1 0.744 95.3 55.0 -78.3 -22.3 44.8 -14.0 26.7 472 690 A R H > S+ 0 0 37 2,-0.2 4,-2.0 1,-0.2 3,-0.4 0.995 109.0 42.4 -75.1 -76.9 44.3 -10.4 25.7 473 691 A I H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.796 113.1 61.1 -21.8 -45.4 40.6 -10.3 25.2 474 692 A G H >X S+ 0 0 0 -4,-0.9 4,-2.7 -7,-0.3 3,-0.7 0.991 103.1 47.4 -53.5 -61.9 40.8 -12.3 28.5 475 693 A H H 3X S+ 0 0 2 -4,-2.3 4,-1.9 -3,-0.4 -2,-0.2 0.891 116.2 42.4 -48.1 -52.7 42.5 -9.4 30.3 476 694 A F H 3X S+ 0 0 23 -4,-2.0 4,-2.0 2,-0.2 -1,-0.3 0.721 108.7 59.1 -72.7 -19.2 40.1 -6.8 29.1 477 695 A L H X S+ 0 0 2 -4,-1.7 4,-2.3 -3,-0.3 3,-1.0 0.824 112.4 51.2 -88.3 -42.4 33.4 -6.9 34.0 482 700 A R H 3X S+ 0 0 18 -4,-2.6 4,-0.7 -5,-0.3 -2,-0.2 0.774 104.6 61.8 -64.6 -27.5 35.1 -6.0 37.2 483 701 A S H 3< S+ 0 0 2 -4,-1.3 4,-0.4 -5,-0.2 -1,-0.2 0.694 110.9 36.9 -69.5 -20.2 34.2 -2.4 36.3 484 702 A E H <> S+ 0 0 1 -3,-1.0 4,-1.9 -4,-0.2 3,-0.5 0.797 108.1 60.8-101.8 -44.5 30.5 -3.1 36.3 485 703 A I H < S+ 0 0 1 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.1 0.744 109.4 47.8 -49.1 -27.2 30.4 -5.5 39.2 486 704 A A T < S+ 0 0 37 -4,-0.7 -1,-0.2 -5,-0.2 -2,-0.2 0.706 124.2 23.4 -97.6 -23.8 31.8 -2.7 41.3 487 705 A Q T 4 S+ 0 0 23 -3,-0.5 2,-0.5 -4,-0.4 -2,-0.2 0.287 108.4 77.5-126.4 7.7 29.5 0.3 40.4 488 706 A S X + 0 0 5 -4,-1.9 4,-1.7 1,-0.1 3,-0.2 -0.926 41.8 174.6-125.3 107.6 26.4 -1.5 39.1 489 707 A R T 4 S+ 0 0 126 -2,-0.5 4,-0.4 1,-0.2 -1,-0.1 0.857 83.0 61.2 -78.7 -31.3 24.0 -2.9 41.7 490 708 A H T 4 S+ 0 0 10 1,-0.2 -198,-0.4 2,-0.1 -1,-0.2 0.762 123.6 15.0 -61.8 -26.8 21.5 -3.8 38.9 491 709 A Y T >> S+ 0 0 2 -7,-0.2 4,-2.3 -3,-0.2 3,-0.6 0.518 91.8 98.4-132.1 -4.8 24.0 -6.1 37.2 492 710 A Q H 3X S+ 0 0 31 -4,-1.7 4,-2.2 -8,-0.3 5,-0.2 0.842 86.0 55.2 -53.8 -36.6 26.9 -7.0 39.4 493 711 A Q H 3> S+ 0 0 10 -4,-0.4 4,-1.1 1,-0.2 -1,-0.2 0.871 111.3 43.8 -70.1 -36.5 25.4 -10.3 40.4 494 712 A R H <> S+ 0 0 7 -3,-0.6 4,-0.8 2,-0.2 -2,-0.2 0.872 116.1 45.6 -70.4 -42.7 25.0 -11.4 36.8 495 713 A F H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 3,-0.3 0.840 107.7 58.7 -71.9 -33.2 28.5 -10.3 35.7 496 714 A A H X S+ 0 0 0 -4,-2.2 4,-2.9 -5,-0.3 5,-0.3 0.926 101.4 53.7 -63.0 -43.5 30.1 -11.8 38.8 497 715 A V H X S+ 0 0 4 -4,-1.1 4,-0.8 1,-0.2 -1,-0.2 0.824 113.1 46.5 -59.0 -28.3 28.9 -15.2 37.9 498 716 A I H X S+ 0 0 9 -4,-0.8 4,-1.8 -3,-0.3 -1,-0.2 0.863 110.1 49.2 -82.8 -40.5 30.5 -14.7 34.5 499 717 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.930 110.2 51.4 -72.2 -42.0 33.8 -13.4 35.6 500 718 A E H X S+ 0 0 3 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.910 107.2 56.4 -56.1 -36.0 34.1 -16.3 38.1 501 719 A A H < S+ 0 0 1 -4,-0.8 -2,-0.2 -5,-0.3 -1,-0.2 0.899 111.3 41.7 -63.5 -38.0 33.4 -18.4 35.1 502 720 A Y H >X S+ 0 0 0 -4,-1.8 3,-1.9 -3,-0.2 4,-0.5 0.907 110.8 55.1 -73.7 -43.8 36.3 -16.9 33.2 503 721 A L H >< S+ 0 0 1 -4,-2.9 3,-0.7 1,-0.3 4,-0.4 0.829 97.7 64.8 -59.9 -33.1 38.7 -16.9 36.1 504 722 A R T 3< S+ 0 0 41 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.355 115.5 29.8 -76.6 11.2 38.1 -20.6 36.5 505 723 A G T <4 S+ 0 0 0 -3,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.375 90.5 90.0-146.6 4.9 39.7 -21.2 33.1 506 724 A C S << S- 0 0 0 -3,-0.7 4,-0.2 -4,-0.5 2,-0.1 0.688 93.5-105.1 -83.9 -19.3 42.3 -18.5 32.4 507 725 A G > - 0 0 1 -4,-0.4 4,-1.3 2,-0.1 -1,-0.2 -0.244 23.2 -89.5 112.4 158.2 45.2 -20.4 33.9 508 726 A T H > S+ 0 0 73 -346,-2.5 4,-1.5 1,-0.2 -347,-0.2 0.715 121.1 68.9 -71.9 -21.0 47.2 -20.1 37.1 509 727 A A H > S+ 0 0 19 -349,-0.9 4,-0.7 -347,-0.3 -1,-0.2 0.926 105.3 35.5 -62.9 -48.3 49.4 -17.8 35.1 510 728 A M H > S+ 0 0 11 -4,-0.2 4,-3.1 2,-0.2 5,-0.3 0.703 108.2 64.2 -87.1 -23.3 46.9 -14.9 34.8 511 729 A L H X S+ 0 0 12 -4,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.948 104.6 48.5 -56.8 -49.0 45.3 -15.4 38.3 512 730 A H H X S+ 0 0 107 -4,-1.5 4,-1.0 1,-0.2 -2,-0.2 0.855 114.0 48.8 -59.7 -33.7 48.7 -14.5 39.7 513 731 A D H X S+ 0 0 15 -4,-0.7 4,-1.9 2,-0.2 3,-0.3 0.913 111.4 44.6 -75.5 -45.6 48.7 -11.5 37.4 514 732 A F H X S+ 0 0 0 -4,-3.1 4,-1.9 1,-0.2 5,-0.2 0.772 108.4 61.9 -67.0 -24.9 45.2 -10.2 38.1 515 733 A T H X S+ 0 0 38 -4,-1.9 4,-1.5 -5,-0.3 -1,-0.2 0.880 108.6 41.8 -67.3 -34.2 46.0 -10.8 41.8 516 734 A Q H X S+ 0 0 25 -4,-1.0 4,-1.9 -3,-0.3 -2,-0.2 0.821 112.7 51.1 -81.8 -35.6 48.9 -8.3 41.4 517 735 A Q H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.886 112.7 47.7 -70.1 -35.6 47.1 -5.7 39.4 518 736 A V H X S+ 0 0 4 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.910 109.5 50.5 -74.4 -39.9 44.2 -5.7 41.8 519 737 A Q H X S+ 0 0 84 -4,-1.5 4,-2.2 -5,-0.2 -1,-0.2 0.953 112.9 48.2 -60.0 -48.6 46.3 -5.4 44.9 520 738 A V H X S+ 0 0 3 -4,-1.9 4,-2.7 1,-0.3 3,-0.5 0.970 113.3 44.6 -53.7 -64.5 48.2 -2.4 43.3 521 739 A I H X S+ 0 0 11 -4,-2.3 4,-1.3 1,-0.2 -1,-0.3 0.787 111.1 59.6 -45.3 -30.6 45.0 -0.7 42.2 522 740 A E H X S+ 0 0 112 -4,-1.6 4,-1.4 -5,-0.2 -2,-0.2 0.921 110.3 38.1 -71.7 -44.0 43.7 -1.5 45.7 523 741 A M H X S+ 0 0 49 -4,-2.2 4,-1.8 -3,-0.5 -2,-0.2 0.958 114.3 53.2 -67.2 -54.6 46.5 0.4 47.5 524 742 A L H X S+ 0 0 12 -4,-2.7 4,-1.5 1,-0.3 -1,-0.2 0.746 102.5 59.8 -62.3 -23.2 46.6 3.3 45.1 525 743 A Q H X S+ 0 0 25 -4,-1.3 4,-1.7 -5,-0.3 3,-0.4 0.997 105.5 50.9 -56.1 -62.7 42.9 3.7 45.6 526 744 A K H X S+ 0 0 39 -4,-1.4 4,-2.1 1,-0.2 3,-0.5 0.865 106.1 51.9 -39.3 -62.6 43.7 4.3 49.3 527 745 A V H X S+ 0 0 18 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.901 108.4 51.0 -48.8 -50.4 46.4 6.9 48.8 528 746 A T H X S+ 0 0 1 -4,-1.5 4,-1.9 -3,-0.4 -1,-0.2 0.880 109.7 49.6 -56.3 -42.8 44.2 9.1 46.5 529 747 A L H >X S+ 0 0 73 -4,-1.7 4,-1.5 -3,-0.5 3,-0.6 0.983 112.6 46.7 -60.3 -57.7 41.3 9.1 49.0 530 748 A D H 3< S+ 0 0 96 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.825 114.4 49.3 -47.9 -38.6 43.6 10.1 51.9 531 749 A I H >< S+ 0 0 13 -4,-2.1 3,-0.7 -5,-0.3 4,-0.3 0.772 107.3 51.8 -81.8 -27.7 45.2 12.8 49.8 532 750 A K H X< S+ 0 0 35 -4,-1.9 3,-0.8 -3,-0.6 -1,-0.2 0.734 97.1 69.9 -80.9 -21.1 42.1 14.4 48.5 533 751 A S T 3< S+ 0 0 102 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.1 0.112 97.6 51.5 -83.5 21.4 40.7 14.7 52.1 534 752 A L T < S+ 0 0 109 -3,-0.7 2,-0.5 1,-0.2 -1,-0.2 0.414 102.6 63.2-126.6 -14.6 43.4 17.4 52.9 535 753 A S S < S- 0 0 18 -3,-0.8 -1,-0.2 -4,-0.3 2,-0.1 -0.970 80.5-129.9-121.2 121.5 42.7 19.7 49.9 536 754 A A - 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