==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-APR-10 3MJW . COMPND 2 MOLECULE: PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CA . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.BARD,K.SVENSON . 819 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35278.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 563 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 103 12.6 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 . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 274 33.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.1 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 1 2 4 1 2 3 2 3 3 1 1 3 0 0 1 0 1 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 5 3 3 3 2 1 4 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 . 0 1 1 2 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 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 0 101 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-149.7 38.5 -29.5 49.2 2 144 A S > + 0 0 98 3,-0.1 4,-1.3 4,-0.0 5,-0.1 0.798 360.0 1.3 -97.3 -83.8 37.8 -28.2 52.6 3 145 A E H > S+ 0 0 164 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.718 135.4 56.4 -79.0 -22.4 40.1 -25.3 53.6 4 146 A E H > S+ 0 0 112 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.795 110.2 43.2 -79.7 -30.5 41.8 -25.6 50.2 5 147 A S H > S+ 0 0 28 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.789 114.1 52.3 -79.3 -31.2 38.5 -25.1 48.3 6 148 A Q H X S+ 0 0 59 -4,-1.3 4,-1.2 2,-0.2 -2,-0.2 0.823 109.2 49.6 -71.7 -32.3 37.6 -22.3 50.8 7 149 A A H X S+ 0 0 50 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.827 110.4 50.3 -75.0 -32.8 40.9 -20.6 50.1 8 150 A F H X S+ 0 0 17 -4,-1.1 4,-2.1 2,-0.2 -2,-0.2 0.883 114.0 43.1 -72.7 -39.7 40.4 -20.8 46.3 9 151 A Q H X S+ 0 0 32 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.749 111.4 56.7 -76.6 -24.8 36.9 -19.3 46.5 10 152 A R H X S+ 0 0 58 -4,-1.2 4,-1.5 2,-0.2 -2,-0.2 0.888 108.6 46.6 -69.2 -40.9 38.2 -16.8 49.0 11 153 A Q H X S+ 0 0 69 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.932 111.5 50.8 -64.4 -48.2 40.8 -15.7 46.4 12 154 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 6,-0.2 0.869 108.0 53.2 -58.5 -39.0 38.2 -15.5 43.7 13 155 A T H X>S+ 0 0 37 -4,-1.8 4,-2.3 1,-0.2 5,-0.6 0.862 109.0 49.2 -64.9 -36.6 35.9 -13.4 45.9 14 156 A A H <5S+ 0 0 63 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.831 112.3 47.7 -72.3 -33.5 38.8 -10.9 46.5 15 157 A L H <5S+ 0 0 2 -4,-1.9 -2,-0.2 1,-0.1 -1,-0.2 0.854 116.2 43.8 -73.6 -37.0 39.6 -10.7 42.7 16 158 A I H <5S- 0 0 2 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.895 96.6-137.1 -74.6 -42.7 35.9 -10.2 41.8 17 159 A G T <5S+ 0 0 52 -4,-2.3 2,-0.3 1,-0.2 -3,-0.1 0.542 77.1 74.6 90.7 9.8 35.1 -7.7 44.5 18 160 A Y S - 0 0 56 -2,-0.3 3,-0.9 1,-0.1 452,-0.0 -0.783 21.1-176.5 -94.8 106.1 30.6 -12.7 46.9 20 162 A V T 3 S+ 0 0 8 -2,-0.8 -1,-0.1 1,-0.2 452,-0.0 0.465 82.9 61.5 -80.6 -1.3 28.9 -14.9 44.4 21 163 A T T 3 S+ 0 0 63 2,-0.0 -1,-0.2 11,-0.0 2,-0.1 0.580 80.2 105.8 -96.2 -14.2 28.0 -17.4 47.1 22 164 A D < + 0 0 67 -3,-0.9 3,-0.0 1,-0.1 -4,-0.0 -0.382 40.7 175.7 -65.2 142.6 26.0 -14.8 49.0 23 165 A V > + 0 0 85 -2,-0.1 3,-1.1 3,-0.1 -1,-0.1 0.186 44.9 112.6-133.7 13.0 22.2 -15.4 48.8 24 166 A S T 3 S+ 0 0 76 1,-0.3 -2,-0.1 3,-0.0 -1,-0.0 0.156 84.2 44.1 -76.5 22.0 20.9 -12.6 51.1 25 167 A N T 3 S+ 0 0 9 -3,-0.0 258,-0.4 261,-0.0 -1,-0.3 0.051 94.9 82.3-157.5 33.4 19.4 -10.9 48.0 26 168 A V < - 0 0 53 -3,-1.1 3,-0.1 256,-0.1 -3,-0.1 -0.650 47.5-160.5-125.5-174.2 17.7 -13.4 45.8 27 169 A H S S+ 0 0 61 -2,-0.2 2,-0.2 1,-0.1 -1,-0.0 0.157 79.8 23.0-153.9 13.8 14.3 -15.2 45.5 28 170 A D S S- 0 0 45 226,-0.0 3,-0.1 0, 0.0 4,-0.1 -0.853 83.3-101.2-156.7-167.3 15.2 -18.1 43.3 29 171 A D S > S+ 0 0 66 -2,-0.2 4,-2.4 1,-0.1 5,-0.1 -0.191 76.7 114.4-122.1 42.2 18.3 -20.1 42.2 30 172 A E H > S+ 0 0 7 2,-0.2 4,-2.4 3,-0.2 5,-0.2 0.899 78.3 49.6 -77.5 -42.6 19.0 -18.6 38.8 31 173 A L H > S+ 0 0 20 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.909 117.9 41.5 -60.4 -43.4 22.4 -17.1 39.8 32 174 A E H > S+ 0 0 32 2,-0.2 4,-1.8 1,-0.2 3,-0.3 0.950 111.7 55.6 -66.0 -50.9 23.4 -20.4 41.3 33 175 A F H X S+ 0 0 68 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.849 106.6 52.0 -49.1 -40.6 21.9 -22.3 38.3 34 176 A T H X S+ 0 0 2 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.908 103.3 57.1 -65.6 -43.5 24.1 -20.2 36.0 35 177 A R H < S+ 0 0 46 -4,-1.5 4,-0.4 -3,-0.3 -2,-0.2 0.936 112.0 41.6 -52.8 -51.0 27.3 -21.0 37.9 36 178 A R H >< S+ 0 0 150 -4,-1.8 3,-0.8 1,-0.2 4,-0.4 0.875 115.6 52.5 -63.7 -38.2 26.7 -24.8 37.4 37 179 A G H >< S+ 0 0 22 -4,-1.9 3,-0.6 -5,-0.3 -2,-0.2 0.876 100.3 57.3 -68.9 -41.7 25.6 -24.3 33.8 38 180 A L T 3X S+ 0 0 4 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.545 85.4 87.1 -70.1 -6.7 28.5 -22.2 32.5 39 181 A V H <> S+ 0 0 45 -3,-0.8 4,-3.1 -4,-0.4 5,-0.3 0.965 84.3 51.3 -57.5 -57.2 30.9 -25.0 33.5 40 182 A T H <> S+ 0 0 107 -3,-0.6 4,-2.6 -4,-0.4 5,-0.2 0.914 111.7 46.5 -47.3 -54.4 30.6 -27.0 30.3 41 183 A P H > S+ 0 0 10 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.925 114.7 50.1 -54.1 -45.7 31.3 -23.9 28.1 42 184 A R H X S+ 0 0 18 -4,-2.3 4,-2.2 1,-0.2 3,-0.4 0.976 113.3 43.1 -53.0 -62.9 34.2 -23.1 30.4 43 185 A M H X S+ 0 0 104 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.799 109.9 58.3 -56.8 -35.6 35.7 -26.7 30.3 44 186 A A H X S+ 0 0 57 -4,-2.6 4,-1.6 -5,-0.3 -1,-0.2 0.909 110.0 40.7 -65.5 -44.8 35.2 -27.0 26.5 45 187 A E H < S+ 0 0 12 -4,-1.8 -2,-0.2 -3,-0.4 -1,-0.2 0.932 115.0 52.0 -69.6 -47.0 37.3 -23.9 25.6 46 188 A V H >< S+ 0 0 35 -4,-2.2 3,-1.1 -5,-0.2 -2,-0.2 0.929 108.9 52.2 -50.8 -49.8 39.9 -24.7 28.2 47 189 A A H 3< S+ 0 0 86 -4,-2.5 2,-0.3 1,-0.3 -1,-0.2 0.895 111.7 44.8 -55.7 -45.5 40.2 -28.2 26.8 48 190 A S T 3< S+ 0 0 88 -4,-1.6 2,-0.5 -5,-0.1 -1,-0.3 -0.231 83.1 118.9-101.8 44.1 40.7 -27.1 23.2 49 191 A R < - 0 0 28 -3,-1.1 5,-0.1 -2,-0.3 3,-0.0 -0.944 66.9-124.7-112.1 123.4 43.3 -24.3 23.6 50 192 A D > - 0 0 83 -2,-0.5 4,-1.7 1,-0.2 5,-0.2 -0.502 21.4-152.1 -62.3 106.5 46.7 -24.6 22.0 51 193 A P H > S+ 0 0 69 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.806 89.9 49.5 -55.6 -35.5 48.9 -24.1 25.1 52 194 A K H > S+ 0 0 144 1,-0.2 4,-1.5 2,-0.2 5,-0.2 0.959 113.8 41.1 -70.9 -53.6 51.8 -22.6 23.1 53 195 A L H > S+ 0 0 85 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.679 114.9 57.8 -68.2 -17.1 49.8 -20.0 21.1 54 196 A Y H < S+ 0 0 6 -4,-1.7 392,-0.4 2,-0.2 3,-0.2 0.961 104.7 44.8 -77.2 -56.2 47.9 -19.3 24.3 55 197 A A H < S+ 0 0 10 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.1 0.829 122.6 40.0 -56.7 -34.3 50.8 -18.4 26.7 56 198 A M H < S- 0 0 18 -4,-1.5 68,-0.5 -5,-0.2 -1,-0.2 0.639 88.1-166.7 -93.1 -17.5 52.3 -16.2 23.9 57 199 A H < - 0 0 29 -4,-0.7 67,-0.2 -3,-0.2 -3,-0.1 0.785 14.3-145.0 35.5 59.4 48.9 -14.9 22.8 58 200 A P - 0 0 27 0, 0.0 2,-0.8 0, 0.0 -1,-0.2 -0.334 5.8-136.8 -56.1 120.0 50.1 -13.4 19.4 59 201 A W + 0 0 63 65,-0.3 76,-1.8 -3,-0.2 77,-0.4 -0.722 43.1 162.5 -80.3 109.1 48.1 -10.2 18.8 60 202 A V B -A 134 0A 31 -2,-0.8 2,-0.4 74,-0.2 351,-0.3 -0.913 32.2-157.9-135.9 151.9 47.2 -10.5 15.1 61 203 A T - 0 0 11 72,-2.5 -2,-0.0 -2,-0.3 0, 0.0 -0.980 11.8-157.6-126.7 145.2 44.9 -9.2 12.4 62 204 A S + 0 0 94 -2,-0.4 72,-0.1 67,-0.0 -1,-0.0 0.197 62.7 113.2-101.1 13.6 44.0 -10.9 9.1 63 205 A K S S- 0 0 34 1,-0.2 -2,-0.1 70,-0.1 551,-0.0 -0.465 74.1 -97.7 -81.1 157.3 43.1 -7.5 7.6 64 206 A P - 0 0 115 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.266 40.4 -98.6 -54.4-171.0 45.1 -5.9 4.7 65 207 A L - 0 0 29 551,-0.0 5,-0.1 2,-0.0 68,-0.0 -0.991 43.0-108.0-120.9 128.8 47.7 -3.3 5.2 66 208 A P > - 0 0 13 0, 0.0 4,-0.8 0, 0.0 5,-0.2 -0.035 20.9-117.1 -57.3 153.7 46.7 0.4 4.7 67 209 A E H >> S+ 0 0 147 1,-0.2 3,-1.2 2,-0.2 4,-1.0 0.943 116.8 48.6 -50.8 -53.2 47.8 2.4 1.6 68 210 A Y H 3> S+ 0 0 61 1,-0.3 4,-0.9 2,-0.2 3,-0.3 0.833 110.3 50.4 -60.1 -35.4 49.7 4.8 3.9 69 211 A L H 3> S+ 0 0 22 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.536 102.2 61.8 -84.6 -6.9 51.4 2.0 5.8 70 212 A W H << S+ 0 0 117 -3,-1.2 -1,-0.2 -4,-0.8 -2,-0.2 0.745 97.2 61.2 -80.7 -27.5 52.5 0.4 2.6 71 213 A K H < S+ 0 0 68 -4,-1.0 -2,-0.2 -3,-0.3 -1,-0.1 0.910 94.1 59.2 -65.8 -45.3 54.5 3.5 1.8 72 214 A K H < S+ 0 0 99 -4,-0.9 2,-1.0 1,-0.3 -1,-0.2 0.873 107.1 50.2 -53.4 -41.0 56.8 3.3 4.9 73 215 A I S < S+ 0 0 16 -4,-0.6 3,-0.5 1,-0.1 -1,-0.3 -0.792 70.0 159.4 -98.1 89.8 57.9 -0.1 3.6 74 216 A A + 0 0 83 -2,-1.0 -1,-0.1 1,-0.2 -3,-0.1 0.071 64.8 52.5-101.5 24.3 58.8 0.9 0.0 75 217 A N S S- 0 0 106 2,-0.4 -1,-0.2 0, 0.0 3,-0.1 0.193 106.1-108.5-144.8 17.4 61.1 -2.1 -0.8 76 218 A N S S+ 0 0 65 -3,-0.5 2,-0.3 1,-0.2 20,-0.1 0.844 94.1 108.9 48.1 32.6 59.2 -5.3 0.1 77 219 A C - 0 0 38 17,-0.2 2,-0.4 18,-0.1 -2,-0.4 -1.000 51.7-168.6-142.3 137.7 61.8 -5.2 2.9 78 220 A I E -B 93 0B 28 15,-2.2 15,-2.1 -2,-0.3 2,-0.7 -0.994 20.1-130.3-134.1 133.6 61.5 -4.5 6.6 79 221 A F E +B 92 0B 61 -2,-0.4 68,-0.7 13,-0.2 2,-0.5 -0.714 27.0 176.5 -88.7 113.6 64.2 -3.9 9.2 80 222 A I E -Bc 91 147B 23 11,-2.0 11,-2.1 -2,-0.7 2,-0.5 -0.969 16.5-150.1-116.3 129.0 64.0 -6.0 12.4 81 223 A V E -Bc 90 148B 14 66,-1.4 68,-2.5 -2,-0.5 2,-0.4 -0.855 9.9-159.2-103.3 126.0 66.7 -5.8 15.0 82 224 A I E -Bc 89 149B 41 7,-1.7 7,-1.3 -2,-0.5 2,-0.3 -0.862 6.8-166.8-110.0 137.1 67.4 -8.8 17.2 83 225 A H E +Bc 88 150B 49 66,-2.1 68,-2.4 -2,-0.4 2,-0.3 -0.894 14.1 171.8-123.3 149.9 69.2 -8.8 20.6 84 226 A R E > S-B 87 0B 35 3,-0.6 3,-2.8 -2,-0.3 2,-1.3 -0.853 75.4 -31.4-157.5 121.3 70.8 -11.4 22.9 85 227 A S T 3 S- 0 0 133 1,-0.3 -2,-0.0 -2,-0.3 65,-0.0 -0.604 130.5 -37.0 65.8 -96.2 72.7 -10.5 26.0 86 228 A T T 3 S+ 0 0 138 -2,-1.3 -1,-0.3 -3,-0.0 0, 0.0 0.258 111.8 125.7-131.0 0.2 74.0 -7.3 24.5 87 229 A T E < -B 84 0B 92 -3,-2.8 -3,-0.6 1,-0.0 2,-0.3 -0.034 36.8-175.6 -53.5 162.1 74.4 -8.7 21.0 88 230 A S E +B 83 0B 73 -5,-0.2 2,-0.3 2,-0.0 -5,-0.2 -0.894 11.9 162.5-167.4 134.9 72.7 -6.9 18.1 89 231 A Q E -B 82 0B 118 -7,-1.3 -7,-1.7 -2,-0.3 2,-0.5 -0.979 28.3-126.9-150.3 161.0 72.2 -7.4 14.4 90 232 A T E -B 81 0B 86 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.950 21.2-170.3-117.6 124.6 69.9 -6.1 11.6 91 233 A I E -B 80 0B 38 -11,-2.1 -11,-2.0 -2,-0.5 2,-0.5 -0.896 16.9-138.7-113.2 141.9 67.9 -8.4 9.3 92 234 A K E -B 79 0B 81 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.875 30.0-175.1 -99.2 125.4 66.0 -7.4 6.1 93 235 A V E -B 78 0B 15 -15,-2.1 -15,-2.2 -2,-0.5 3,-0.0 -0.800 26.4-118.3-122.3 156.5 62.7 -9.2 5.8 94 236 A S > - 0 0 38 -2,-0.3 3,-2.3 -17,-0.2 37,-0.3 -0.742 26.7-125.6 -88.4 143.1 59.8 -9.5 3.3 95 237 A P T 3 S+ 0 0 10 0, 0.0 37,-1.3 0, 0.0 38,-0.1 0.824 113.6 52.9 -55.4 -31.4 56.4 -8.2 4.5 96 238 A D T 3 S+ 0 0 115 34,-0.2 -20,-0.0 35,-0.1 -2,-0.0 0.300 89.1 113.9 -89.6 8.9 55.0 -11.6 3.6 97 239 A D < - 0 0 54 -3,-2.3 34,-1.7 33,-0.1 35,-0.3 -0.175 59.8-126.4 -73.4 173.8 57.6 -13.4 5.7 98 240 A T > - 0 0 32 32,-0.2 4,-3.3 1,-0.1 5,-0.4 -0.866 18.9-115.6-124.2 150.8 56.9 -15.5 8.8 99 241 A P H > S+ 0 0 11 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.938 123.0 42.8 -43.5 -52.4 58.2 -15.5 12.4 100 242 A G H > S+ 0 0 43 27,-0.4 4,-2.7 2,-0.2 5,-0.3 0.886 113.0 53.5 -65.0 -39.8 59.6 -19.0 11.7 101 243 A A H > S+ 0 0 49 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.959 114.0 39.6 -59.1 -54.7 60.9 -17.9 8.3 102 244 A I H X S+ 0 0 24 -4,-3.3 4,-1.6 2,-0.2 -2,-0.2 0.880 116.0 52.4 -64.8 -40.2 62.9 -15.0 9.6 103 245 A L H >X S+ 0 0 20 -4,-2.4 4,-2.1 -5,-0.4 3,-0.8 0.976 111.6 43.8 -60.3 -57.6 64.0 -16.8 12.7 104 246 A Q H 3X S+ 0 0 41 -4,-2.7 4,-2.6 1,-0.3 5,-0.3 0.850 110.0 59.8 -56.1 -34.8 65.4 -19.8 10.8 105 247 A S H 3X S+ 0 0 68 -4,-1.9 4,-1.1 -5,-0.3 -1,-0.3 0.863 105.9 47.0 -60.3 -38.2 66.9 -17.3 8.4 106 248 A F H -D 149 0B 1 5,-2.6 3,-0.6 -2,-0.3 2,-0.4 -0.493 34.8-102.9 -81.5 147.1 59.5 -7.8 21.7 119 275 A C T 3 S+ 0 0 17 29,-1.8 461,-0.2 1,-0.2 460,-0.2 -0.546 98.7 0.7 -73.8 120.0 61.8 -5.4 23.5 120 276 A G T 3 S+ 0 0 9 -2,-0.4 429,-0.4 1,-0.3 -1,-0.2 0.115 119.9 72.0 97.1 -19.6 60.4 -3.8 26.6 121 277 A R S < S- 0 0 44 -3,-0.6 -1,-0.3 457,-0.1 427,-0.2 -0.308 84.1-113.3-114.4-166.6 57.0 -5.6 26.5 122 278 A D S S+ 0 0 43 425,-0.5 2,-0.3 -2,-0.1 426,-0.1 -0.254 72.7 127.7-120.6 39.1 55.4 -9.0 27.1 123 279 A E - 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0 0 7 -5,-1.6 2,-0.4 -8,-0.2 -1,-0.2 -0.995 42.1-165.0-147.7 138.7 45.0 31.2 7.8 736 998 A S > - 0 0 86 -2,-0.3 3,-1.8 -3,-0.1 4,-0.0 -0.968 61.5 -49.0-130.9 120.7 43.6 34.4 9.4 737 999 A G T 3 S- 0 0 62 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.722 128.3 -10.2 16.7 82.1 39.9 35.2 9.7 738 1000 A K T 3 S+ 0 0 69 1,-0.4 -1,-0.3 73,-0.0 2,-0.2 0.124 103.3 118.4 99.7 -16.4 38.5 34.5 6.2 739 1001 A K < - 0 0 106 -3,-1.8 -1,-0.4 1,-0.0 2,-0.3 -0.502 55.0-136.1 -79.2 152.9 41.8 34.0 4.3 740 1002 A T + 0 0 77 -2,-0.2 3,-0.1 -5,-0.1 -1,-0.0 -0.848 24.4 171.8-114.4 148.2 42.5 30.7 2.6 741 1003 A S > - 0 0 9 -2,-0.3 4,-1.6 1,-0.1 5,-0.2 -0.865 44.1-102.1-142.2 174.2 45.7 28.6 2.5 742 1004 A P H > S+ 0 0 94 0, 0.0 4,-1.6 0, 0.0 3,-0.2 0.945 118.9 51.2 -66.9 -49.3 46.9 25.1 1.3 743 1005 A H H > S+ 0 0 48 1,-0.2 4,-0.6 2,-0.2 -9,-0.1 0.722 113.6 48.0 -60.8 -21.7 47.0 23.5 4.8 744 1006 A F H > S+ 0 0 3 -11,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.762 109.7 49.2 -89.3 -30.9 43.4 24.8 5.2 745 1007 A Q H < S+ 0 0 119 -4,-1.6 4,-0.3 -3,-0.2 -2,-0.2 0.653 113.7 49.7 -76.0 -17.6 42.3 23.4 1.9 746 1008 A K H X S+ 0 0 58 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.725 107.1 54.8 -86.5 -28.3 44.0 20.3 3.1 747 1009 A F H X S+ 0 0 0 -4,-0.6 4,-2.6 2,-0.2 -2,-0.2 0.949 111.0 42.2 -68.6 -51.4 42.1 20.5 6.4 748 1010 A Q H X S+ 0 0 46 -4,-2.1 4,-1.4 1,-0.2 5,-0.2 0.742 114.2 57.3 -64.9 -23.1 38.7 20.7 4.6 749 1011 A D H > S+ 0 0 98 -4,-0.3 4,-1.6 2,-0.2 -2,-0.2 0.962 110.7 38.7 -71.8 -54.8 40.2 17.9 2.4 750 1012 A I H X S+ 0 0 16 -4,-2.7 4,-1.7 2,-0.2 5,-0.2 0.927 115.2 55.4 -59.5 -48.5 40.9 15.5 5.2 751 1013 A C H >X S+ 0 0 0 -4,-2.6 4,-3.4 1,-0.2 3,-1.0 0.955 110.9 39.5 -51.2 -65.6 37.8 16.3 7.1 752 1014 A V H 3X S+ 0 0 19 -4,-1.4 4,-2.1 1,-0.3 5,-0.2 0.853 112.8 57.8 -57.2 -37.3 35.2 15.6 4.4 753 1015 A K H 3X S+ 0 0 122 -4,-1.6 4,-0.6 -5,-0.2 -1,-0.3 0.840 116.0 36.3 -61.0 -33.2 37.1 12.6 3.3 754 1016 A A H < S+ 0 0 0 -4,-1.5 3,-2.0 1,-0.2 7,-0.2 0.858 102.6 61.2 -70.4 -36.9 31.7 7.4 8.7 759 1021 A R H >< S+ 0 0 32 -4,-1.1 3,-1.0 1,-0.3 -1,-0.2 0.702 93.7 65.8 -64.7 -18.9 28.5 8.0 6.8 760 1022 A H T 3< S+ 0 0 100 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.630 108.8 39.0 -75.3 -14.2 29.2 4.7 5.0 761 1023 A H T <> S+ 0 0 66 -3,-2.0 4,-2.1 -4,-0.2 3,-0.5 -0.090 74.4 135.7-123.6 31.6 28.7 3.0 8.4 762 1024 A T H <> S+ 0 0 18 -3,-1.0 4,-2.7 1,-0.2 5,-0.2 0.907 72.7 52.9 -42.0 -54.3 25.8 5.1 9.7 763 1025 A N H > S+ 0 0 59 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.870 108.9 48.2 -54.3 -44.1 24.0 2.0 10.9 764 1026 A L H > S+ 0 0 16 -3,-0.5 4,-1.4 2,-0.2 3,-0.5 0.981 113.9 45.3 -61.5 -57.6 27.0 0.8 13.0 765 1027 A L H >X S+ 0 0 3 -4,-2.1 4,-3.2 -7,-0.2 3,-0.8 0.925 109.3 55.5 -51.0 -53.2 27.6 4.1 14.7 766 1028 A I H 3X S+ 0 0 1 -4,-2.7 4,-2.6 1,-0.3 -1,-0.2 0.845 107.9 48.9 -51.2 -40.0 24.0 4.8 15.4 767 1029 A I H 3X S+ 0 0 5 -4,-1.5 4,-2.0 -3,-0.5 -1,-0.3 0.787 114.2 45.2 -74.7 -27.8 23.6 1.5 17.3 768 1030 A L H X S+ 0 0 13 -4,-2.6 4,-1.5 -5,-0.3 3,-0.6 0.974 115.1 43.2 -56.4 -60.7 22.3 4.5 21.1 771 1033 A M H 3X S+ 0 0 4 -4,-2.0 4,-2.3 1,-0.2 5,-0.3 0.897 108.7 59.7 -54.4 -45.0 23.6 1.7 23.3 772 1034 A M H 3X>S+ 0 0 17 -4,-2.7 4,-1.6 1,-0.2 5,-0.8 0.882 104.7 50.6 -50.5 -42.7 26.2 3.9 24.8 773 1035 A L H > - 0 0 55 -2,-0.6 4,-0.9 1,-0.1 3,-0.6 -0.219 18.1-123.4 -65.3 155.4 15.1 10.7 25.8 783 1045 A K H 3> S+ 0 0 74 1,-0.2 4,-0.9 2,-0.2 -1,-0.1 0.681 118.9 58.6 -67.0 -16.4 14.3 9.1 22.4 784 1046 A E H 34 S+ 0 0 71 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.708 91.2 66.5 -84.8 -23.6 15.2 12.7 21.3 785 1047 A D H X4 S+ 0 0 77 -3,-0.6 3,-0.6 1,-0.2 4,-0.3 0.883 107.0 41.0 -63.5 -39.0 18.7 12.5 22.8 786 1048 A I H >X S+ 0 0 16 -4,-0.9 3,-1.0 1,-0.2 4,-0.7 0.824 95.9 78.0 -78.0 -33.7 19.7 9.8 20.2 787 1049 A E H 3X S+ 0 0 67 -4,-0.9 4,-1.3 1,-0.2 -1,-0.2 0.653 82.7 75.1 -51.1 -14.1 17.8 11.6 17.4 788 1050 A Y H <> S+ 0 0 86 -3,-0.6 4,-2.9 -4,-0.3 3,-0.3 0.971 86.2 52.8 -64.7 -57.4 20.9 13.8 17.4 789 1051 A I H <> S+ 0 0 1 -3,-1.0 4,-1.0 -4,-0.3 -1,-0.2 0.723 103.8 62.0 -58.0 -21.8 23.5 11.6 15.7 790 1052 A R H >X>S+ 0 0 48 -4,-0.7 5,-0.9 2,-0.2 3,-0.7 0.988 111.7 34.2 -62.2 -61.3 21.0 11.0 12.9 791 1053 A D H ><5S+ 0 0 98 -4,-1.3 3,-0.6 -3,-0.3 -2,-0.2 0.861 114.7 59.1 -62.9 -37.2 21.0 14.7 11.9 792 1054 A A H 3<5S+ 0 0 1 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.774 113.1 39.6 -62.8 -26.0 24.6 15.0 12.8 793 1055 A L H <<5S- 0 0 0 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.500 109.3-129.4 -96.5 -8.3 25.3 12.3 10.2 794 1056 A T T <<5 - 0 0 11 -4,-0.7 2,-0.3 -3,-0.6 -3,-0.2 0.991 23.6-145.3 51.8 72.2 22.8 13.7 7.8 795 1057 A V S - 0 0 98 1,-0.1 4,-0.7 -3,-0.1 5,-0.2 -0.029 40.4 -86.8 -62.9 174.3 23.8 12.3 -0.9 799 1061 A E T 4 S+ 0 0 78 3,-0.2 4,-0.2 2,-0.1 -1,-0.1 0.292 121.4 67.0 -69.2 13.7 27.5 12.9 -0.5 800 1062 A E T >> S+ 0 0 103 2,-0.1 4,-2.3 3,-0.1 3,-0.7 0.831 106.5 24.2 -95.6 -84.2 26.8 16.3 -2.0 801 1063 A D H 3> S+ 0 0 79 1,-0.2 4,-0.5 2,-0.2 -2,-0.1 0.411 121.6 64.5 -67.3 6.2 24.6 18.5 0.2 802 1064 A A H 3X S+ 0 0 0 -4,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.839 103.9 40.5 -90.8 -46.6 26.0 16.4 3.0 803 1065 A K H <> S+ 0 0 82 -3,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.897 116.8 51.8 -65.2 -39.9 29.6 17.5 2.5 804 1066 A K H X S+ 0 0 114 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.906 106.4 54.7 -61.0 -42.9 28.3 21.0 2.0 805 1067 A Y H X S+ 0 0 66 -4,-0.5 4,-0.7 -5,-0.2 3,-0.5 0.920 111.2 44.0 -53.9 -48.1 26.3 20.6 5.2 806 1068 A F H >X S+ 0 0 0 -4,-1.9 4,-1.5 1,-0.2 3,-0.6 0.844 107.6 57.7 -69.8 -35.9 29.5 19.8 7.1 807 1069 A L H 3X S+ 0 0 41 -4,-2.3 4,-0.9 1,-0.3 -1,-0.2 0.695 97.8 62.6 -70.7 -18.4 31.6 22.5 5.4 808 1070 A D H 3X S+ 0 0 101 -4,-1.1 4,-1.5 -3,-0.5 -1,-0.3 0.836 101.3 54.2 -68.6 -33.5 29.0 25.0 6.8 809 1071 A Q H X S+ 0 0 67 -4,-0.9 4,-2.6 2,-0.2 3,-1.0 0.888 102.1 56.7 -73.2 -41.8 32.9 28.1 8.8 812 1074 A V H 3< S+ 0 0 50 -4,-1.5 4,-0.3 -3,-0.5 -2,-0.2 0.901 104.0 54.4 -56.4 -42.5 30.8 28.8 11.9 813 1075 A C T 3X S+ 0 0 2 -4,-1.7 4,-0.9 1,-0.2 -1,-0.3 0.707 111.8 45.2 -67.2 -20.9 33.8 27.9 14.1 814 1076 A R T <4 S+ 0 0 20 -3,-1.0 -2,-0.2 -4,-0.5 -1,-0.2 0.849 109.8 51.5 -88.1 -41.2 35.8 30.5 12.3 815 1077 A D T < S+ 0 0 118 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.1 0.403 116.1 45.1 -76.3 3.8 33.2 33.3 12.3 816 1078 A K T >4 S+ 0 0 72 -4,-0.3 3,-2.5 -5,-0.2 -1,-0.2 0.639 80.6 162.4-111.0 -32.2 33.0 32.6 16.1 817 1079 A G T 3< S- 0 0 16 -4,-0.9 4,-0.3 1,-0.3 3,-0.2 -0.269 74.4 -10.0 53.3-110.8 36.7 32.4 16.8 818 1080 A W T 3> S+ 0 0 50 -2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.484 103.1 108.1 -98.7 -5.8 37.3 32.9 20.5 819 1081 A T H <> S+ 0 0 69 -3,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.854 85.3 38.3 -39.9 -57.9 33.7 34.0 21.4 820 1082 A V H > S+ 0 0 10 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.897 114.1 54.3 -65.4 -43.1 32.8 30.7 23.2 821 1083 A Q H > S+ 0 0 18 -4,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.879 111.1 46.6 -58.5 -40.4 36.2 30.2 24.8 822 1084 A F H X S+ 0 0 40 -4,-2.7 4,-1.1 2,-0.2 -1,-0.2 0.890 111.1 51.4 -68.8 -40.6 35.9 33.7 26.3 823 1085 A N H < S+ 0 0 87 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.821 104.6 58.2 -64.1 -32.6 32.3 33.0 27.4 824 1086 A W H < S+ 0 0 101 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.875 97.8 61.8 -60.6 -38.6 33.6 29.9 29.1 825 1087 A F H < S+ 0 0 68 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.897 83.7 89.4 -56.8 -44.8 36.0 32.0 31.1 826 1088 A L < 0 0 131 -4,-1.1 -3,-0.0 1,-0.1 0, 0.0 -0.377 360.0 360.0 -56.4 122.8 33.1 33.8 32.7 827 1089 A H 0 0 149 -2,-0.2 -1,-0.1 0, 0.0 -2,-0.1 -0.275 360.0 360.0-131.1 360.0 32.1 31.9 35.9