==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 16-MAR-06 2CHZ . COMPND 2 MOLECULE: PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Z.A.KNIGHT,B.GONZALEZ,M.E.FELDMAN,E.R.ZUNDER,D.D.GOLDENBERG, . 839 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37363.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 574 68.4 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 . 110 13.1 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 . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 54 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 286 34.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.0 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 4 3 0 1 4 1 1 2 1 1 3 0 1 2 2 0 0 0 0 1 1 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 . 2 5 3 2 3 4 2 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 1 1 2 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 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 1 144 A S 0 0 118 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 163.6 37.0 -30.8 50.3 2 145 A E >> + 0 0 117 2,-0.1 4,-1.3 3,-0.1 3,-0.7 0.764 360.0 53.7-101.5 -37.4 39.1 -28.3 52.2 3 146 A E H 3> S+ 0 0 139 1,-0.2 4,-0.5 2,-0.2 -1,-0.1 0.487 105.9 58.5 -76.5 -2.0 41.5 -27.1 49.5 4 147 A S H 3> S+ 0 0 37 2,-0.1 4,-1.0 3,-0.1 -1,-0.2 0.631 100.7 55.2 -92.7 -21.2 38.4 -26.4 47.4 5 148 A Q H <> S+ 0 0 100 -3,-0.7 4,-2.2 2,-0.2 -2,-0.2 0.863 106.2 48.4 -81.3 -39.0 37.1 -23.9 50.1 6 149 A A H X S+ 0 0 25 -4,-1.3 4,-2.1 2,-0.2 -1,-0.1 0.929 110.1 55.1 -59.1 -46.4 40.2 -21.8 50.1 7 150 A F H X S+ 0 0 18 -4,-0.5 4,-2.3 1,-0.2 -2,-0.2 0.827 107.5 48.6 -55.2 -38.7 39.9 -21.8 46.3 8 151 A Q H X S+ 0 0 26 -4,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.928 111.8 48.3 -67.6 -44.8 36.4 -20.4 46.7 9 152 A R H X S+ 0 0 157 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.740 110.6 53.3 -69.0 -24.4 37.6 -17.8 49.1 10 153 A Q H X S+ 0 0 88 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.956 109.0 47.8 -67.0 -54.6 40.3 -17.0 46.6 11 154 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 6,-0.2 0.824 106.9 57.6 -59.3 -35.2 37.8 -16.6 43.8 12 155 A T H X>S+ 0 0 33 -4,-2.2 4,-3.4 2,-0.2 5,-0.8 0.949 107.9 45.7 -59.5 -50.6 35.6 -14.3 45.9 13 156 A A H <5S+ 0 0 61 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.794 114.1 49.2 -66.6 -33.1 38.4 -11.8 46.5 14 157 A L H <5S+ 0 0 4 -4,-1.8 -1,-0.2 1,-0.1 -2,-0.2 0.887 117.9 41.0 -66.8 -42.9 39.3 -11.9 42.9 15 158 A I H <5S- 0 0 1 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.885 96.5-135.3 -73.9 -44.1 35.6 -11.3 41.9 16 159 A G T <5S+ 0 0 52 -4,-3.4 2,-0.3 1,-0.2 -3,-0.2 0.550 79.0 73.0 89.3 11.8 34.6 -8.7 44.5 17 160 A Y S - 0 0 50 -2,-0.3 3,-0.7 1,-0.1 -9,-0.0 -0.852 21.0-177.2-101.8 108.1 30.4 -13.9 46.9 19 162 A V T 3 S+ 0 0 9 -2,-0.7 -1,-0.1 1,-0.2 15,-0.1 0.439 79.7 66.8 -86.3 -3.8 28.4 -16.2 44.6 20 163 A T T 3 S+ 0 0 68 -12,-0.1 -1,-0.2 2,-0.0 11,-0.0 0.676 82.3 108.1 -78.8 -22.8 27.8 -18.9 47.3 21 164 A D < + 0 0 67 -3,-0.7 -4,-0.0 1,-0.1 0, 0.0 -0.183 42.1 175.3 -56.9 145.7 25.6 -16.2 48.9 22 165 A V > + 0 0 90 3,-0.1 3,-1.0 4,-0.0 -1,-0.1 0.302 48.9 106.2-134.5 -0.0 21.8 -16.8 48.7 23 166 A S T 3 S+ 0 0 87 1,-0.3 2,-0.4 3,-0.0 -2,-0.0 0.841 83.7 44.2 -55.0 -42.2 20.6 -13.8 50.8 24 167 A N T 3 S+ 0 0 9 2,-0.0 264,-0.3 267,-0.0 -1,-0.3 -0.352 98.6 97.8-103.1 51.7 19.4 -11.8 47.8 25 168 A V < - 0 0 48 -3,-1.0 3,-0.1 -2,-0.4 -3,-0.1 -0.756 41.5-179.0-128.9 170.9 17.6 -14.6 46.0 26 169 A H S S+ 0 0 63 1,-0.5 2,-0.3 -2,-0.2 -1,-0.1 0.160 81.1 16.6-155.1 12.8 14.1 -16.0 45.6 27 170 A D S S- 0 0 42 231,-0.0 -1,-0.5 0, 0.0 3,-0.2 -0.917 83.4-102.0-169.5-177.7 14.8 -18.9 43.3 28 171 A D S > S+ 0 0 60 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.113 70.8 120.4-111.4 23.3 17.9 -20.9 42.2 29 172 A E H > S+ 0 0 7 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.887 76.4 54.4 -57.1 -41.6 18.8 -19.6 38.7 30 173 A L H > S+ 0 0 22 -3,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.923 111.6 42.5 -58.2 -48.4 22.3 -18.4 39.8 31 174 A E H > S+ 0 0 49 2,-0.2 4,-2.4 -3,-0.2 -1,-0.2 0.881 113.0 53.5 -67.5 -39.8 23.3 -21.8 41.2 32 175 A F H X S+ 0 0 78 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.922 109.6 49.8 -56.8 -45.9 21.8 -23.6 38.2 33 176 A T H X S+ 0 0 2 -4,-2.8 4,-1.7 -5,-0.2 -2,-0.2 0.815 106.5 54.0 -65.9 -34.1 23.9 -21.3 36.0 34 177 A R H X S+ 0 0 35 -4,-1.7 4,-0.5 2,-0.2 3,-0.3 0.971 114.3 42.1 -61.6 -50.9 27.1 -22.1 37.9 35 178 A R H >< S+ 0 0 161 -4,-2.4 3,-0.8 1,-0.2 4,-0.5 0.853 112.8 54.5 -61.2 -39.2 26.4 -25.8 37.3 36 179 A G H >< S+ 0 0 21 -4,-2.6 3,-0.5 1,-0.2 -1,-0.2 0.830 102.3 56.4 -65.7 -32.4 25.4 -25.2 33.7 37 180 A L H 3X S+ 0 0 2 -4,-1.7 4,-1.6 -3,-0.3 -1,-0.2 0.612 86.0 81.5 -81.0 -9.3 28.6 -23.4 32.8 38 181 A V H S+ 0 0 101 -3,-0.5 4,-2.4 -4,-0.5 5,-0.2 0.964 111.2 43.0 -61.5 -59.0 30.3 -28.1 30.6 40 183 A P H > S+ 0 0 10 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.822 114.2 54.8 -61.9 -26.7 31.1 -25.4 28.1 41 184 A R H X S+ 0 0 5 -4,-1.6 4,-2.3 2,-0.2 3,-0.4 0.958 111.1 42.7 -63.5 -50.9 34.1 -24.4 30.3 42 185 A M H X S+ 0 0 95 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.765 108.8 59.9 -71.5 -27.0 35.6 -27.8 30.2 43 186 A A H X S+ 0 0 41 -4,-2.4 4,-1.0 -5,-0.2 -1,-0.2 0.849 112.2 38.8 -66.6 -35.7 34.8 -28.2 26.5 44 187 A E H X S+ 0 0 9 -4,-1.3 4,-2.0 -3,-0.4 -2,-0.2 0.793 115.0 53.1 -85.6 -30.5 37.0 -25.2 25.8 45 188 A V H < S+ 0 0 41 -4,-2.3 -2,-0.2 2,-0.2 -3,-0.2 0.949 114.4 42.0 -64.6 -50.6 39.6 -26.1 28.4 46 189 A A H < S+ 0 0 88 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.842 116.8 52.1 -63.0 -33.2 39.9 -29.6 26.9 47 190 A S H < S+ 0 0 89 -4,-1.0 -2,-0.2 -5,-0.2 -1,-0.2 0.865 85.1 93.5 -73.6 -41.7 39.9 -28.1 23.4 48 191 A R S < S- 0 0 26 -4,-2.0 3,-0.0 1,-0.1 407,-0.0 -0.249 78.5-117.0 -66.7 141.3 42.6 -25.4 23.4 49 192 A D > - 0 0 80 1,-0.2 4,-2.4 405,-0.1 5,-0.2 -0.688 20.1-146.7 -74.9 114.9 46.1 -26.1 22.3 50 193 A P H > S+ 0 0 72 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.847 94.3 52.4 -51.2 -39.9 48.3 -25.7 25.4 51 194 A K H > S+ 0 0 135 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.925 114.5 38.9 -67.0 -49.1 51.3 -24.4 23.3 52 195 A L H > S+ 0 0 76 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.761 114.4 56.7 -75.1 -26.0 49.4 -21.7 21.5 53 196 A Y H < S+ 0 0 5 -4,-2.4 403,-0.4 2,-0.2 3,-0.3 0.935 104.4 51.5 -63.4 -50.5 47.4 -20.8 24.6 54 197 A A H < S+ 0 0 7 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.851 119.7 34.6 -57.4 -38.6 50.6 -20.1 26.7 55 198 A M H < S- 0 0 10 -4,-1.2 69,-0.6 -5,-0.1 -1,-0.2 0.519 87.6-159.7 -98.8 -11.2 52.0 -17.8 24.1 56 199 A H < - 0 0 23 -4,-1.0 -3,-0.1 -3,-0.3 68,-0.1 0.794 13.4-146.1 35.2 56.2 48.7 -16.3 22.9 57 200 A P - 0 0 25 0, 0.0 2,-0.8 0, 0.0 -1,-0.2 -0.295 6.0-136.2 -54.0 126.6 49.9 -15.0 19.6 58 201 A W + 0 0 62 66,-0.4 77,-1.9 -3,-0.2 78,-0.4 -0.803 42.6 167.9 -85.0 113.0 48.0 -11.8 18.8 59 202 A V B -A 134 0A 38 -2,-0.8 362,-0.3 75,-0.2 2,-0.3 -0.886 26.6-162.1-136.9 150.2 47.2 -12.3 15.2 60 203 A T - 0 0 0 73,-2.5 -2,-0.0 -2,-0.3 360,-0.0 -0.978 15.8-164.6-135.7 153.2 45.0 -11.0 12.3 61 204 A S + 0 0 85 -2,-0.3 -1,-0.1 68,-0.1 3,-0.1 0.321 57.0 116.5-114.7 1.9 43.8 -12.2 8.9 62 205 A K S S- 0 0 44 1,-0.1 -2,-0.1 71,-0.1 562,-0.0 -0.287 75.6-105.0 -58.0 155.2 42.8 -8.8 7.6 63 206 A P - 0 0 104 0, 0.0 -1,-0.1 0, 0.0 561,-0.0 0.372 43.4 -92.2 -58.6-149.9 44.9 -7.7 4.5 64 207 A L - 0 0 7 -3,-0.1 5,-0.1 559,-0.0 69,-0.0 -0.945 43.9-111.8-135.0 119.0 47.5 -5.1 5.1 65 208 A P >> - 0 0 10 0, 0.0 3,-2.2 0, 0.0 4,-1.5 0.009 21.1-116.5 -56.8 148.4 46.4 -1.4 4.5 66 209 A E H 3> S+ 0 0 146 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.812 112.7 60.5 -50.6 -37.0 47.8 0.6 1.6 67 210 A Y H 34 S+ 0 0 54 1,-0.2 -1,-0.3 2,-0.2 561,-0.0 0.566 107.4 43.5 -75.6 -10.4 49.5 3.0 4.0 68 211 A L H <4 S+ 0 0 8 -3,-2.2 -1,-0.2 2,-0.1 3,-0.2 0.646 106.3 59.3-103.6 -22.4 51.6 0.4 5.6 69 212 A W H >< S+ 0 0 91 -4,-1.5 3,-2.8 1,-0.2 -2,-0.2 0.942 100.6 57.9 -62.8 -46.7 52.6 -1.4 2.3 70 213 A K T 3< S+ 0 0 159 -4,-1.9 3,-0.3 1,-0.3 -1,-0.2 0.745 99.2 60.9 -49.6 -27.3 54.1 2.0 1.3 71 214 A K T 3 S+ 0 0 82 1,-0.3 -1,-0.3 -3,-0.2 2,-0.3 0.472 101.4 53.1 -86.5 -4.3 56.2 1.6 4.4 72 215 A I X + 0 0 13 -3,-2.8 3,-0.9 -4,-0.1 2,-0.8 -0.709 66.0 167.4-123.6 76.7 57.8 -1.6 3.1 73 216 A A T 3 S+ 0 0 91 -3,-0.3 -3,-0.1 -2,-0.3 -4,-0.1 -0.133 70.8 46.2 -85.7 42.5 59.1 -0.5 -0.3 74 217 A N T 3 S- 0 0 100 -2,-0.8 -1,-0.2 2,-0.2 3,-0.1 0.369 103.6-110.7-160.7 2.0 61.2 -3.6 -0.8 75 218 A N S < S+ 0 0 99 -3,-0.9 2,-0.3 1,-0.2 20,-0.1 0.865 89.5 103.6 52.6 38.5 59.3 -6.8 0.1 76 219 A C - 0 0 28 17,-0.2 2,-0.3 18,-0.1 17,-0.3 -0.984 53.8-160.8-145.4 153.3 61.6 -7.1 3.0 77 220 A I E -B 92 0B 9 15,-3.2 15,-1.2 -2,-0.3 2,-0.6 -0.999 16.7-129.2-143.0 141.0 61.4 -6.4 6.8 78 221 A F E +B 91 0B 113 -2,-0.3 69,-0.8 13,-0.2 2,-0.4 -0.810 26.1 173.9-101.8 116.9 64.0 -5.9 9.5 79 222 A I E -Bc 90 147B 7 11,-1.4 11,-2.1 -2,-0.6 2,-0.7 -0.970 18.3-150.7-119.3 132.6 63.9 -7.9 12.7 80 223 A V E -Bc 89 148B 16 67,-2.0 69,-2.1 -2,-0.4 2,-0.3 -0.906 12.6-162.4-109.7 110.7 66.6 -7.7 15.3 81 224 A I E -Bc 88 149B 6 7,-1.9 7,-1.9 -2,-0.7 2,-0.3 -0.657 8.1-168.2 -91.9 147.2 67.1 -10.9 17.4 82 225 A H E +Bc 87 150B 47 67,-1.2 69,-2.1 -2,-0.3 5,-0.2 -0.857 20.2 173.6-128.0 160.4 69.0 -10.9 20.7 83 226 A R S S- 0 0 132 3,-1.7 -1,-0.1 -2,-0.3 4,-0.1 0.225 79.4 -26.7-125.0 -97.3 70.5 -13.4 23.2 84 227 A S S S- 0 0 106 66,-0.0 -2,-0.0 2,-0.0 3,-0.0 0.867 122.8 -46.5 -76.4 -88.7 72.5 -12.1 26.1 85 228 A T S S+ 0 0 134 -3,-0.1 2,-0.2 2,-0.0 0, 0.0 0.432 114.4 112.6-115.5 -14.7 73.7 -8.8 24.6 86 229 A T + 0 0 108 -4,-0.1 -3,-1.7 1,-0.0 2,-0.3 -0.429 47.8 174.5 -61.6 125.3 74.8 -10.5 21.4 87 230 A S E -B 82 0B 57 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.2 -0.952 17.6-179.2-140.4 152.7 72.5 -9.2 18.6 88 231 A Q E -B 81 0B 109 -7,-1.9 -7,-1.9 -2,-0.3 2,-0.3 -0.975 22.5-128.1-156.9 140.2 72.1 -9.5 14.8 89 232 A T E -B 80 0B 64 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.648 24.4-153.4 -91.9 146.0 69.7 -8.1 12.2 90 233 A I E -B 79 0B 4 -11,-2.1 -11,-1.4 -2,-0.3 2,-0.5 -0.971 15.3-129.3-129.8 136.0 67.9 -10.3 9.7 91 234 A K E +B 78 0B 164 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.699 39.8 173.0 -76.7 124.2 66.4 -9.8 6.1 92 235 A V E -B 77 0B 5 -15,-1.2 -15,-3.2 -2,-0.5 9,-0.1 -0.978 27.7-134.1-139.0 144.5 62.8 -11.1 6.1 93 236 A S > - 0 0 33 -2,-0.3 3,-2.4 -17,-0.3 38,-0.3 -0.777 29.3-115.1 -98.4 148.2 59.9 -11.1 3.6 94 237 A P T 3 S+ 0 0 0 0, 0.0 38,-1.7 0, 0.0 37,-0.2 0.765 115.2 53.0 -50.0 -32.0 56.4 -10.1 4.6 95 238 A D T 3 S+ 0 0 102 35,-0.2 2,-0.0 36,-0.1 -20,-0.0 0.515 83.0 120.5 -86.8 -4.5 55.0 -13.6 3.9 96 239 A D < - 0 0 34 -3,-2.4 35,-2.3 34,-0.1 36,-0.2 -0.296 56.8-137.1 -60.1 138.0 57.7 -15.3 6.1 97 240 A T > - 0 0 38 33,-0.2 4,-0.7 1,-0.1 5,-0.2 -0.650 26.3-112.4 -85.8 149.0 56.5 -17.4 9.0 98 241 A P H > S+ 0 0 7 0, 0.0 4,-1.3 0, 0.0 3,-0.3 0.810 128.0 53.1 -37.5 -36.0 58.1 -17.3 12.5 99 242 A G H > S+ 0 0 41 28,-0.2 4,-1.1 1,-0.2 5,-0.2 0.925 105.6 49.8 -67.3 -48.7 59.0 -20.8 11.3 100 243 A A H 4 S+ 0 0 50 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.435 112.2 50.3 -71.5 -1.3 60.5 -19.6 8.0 101 244 A I H < S+ 0 0 0 -4,-0.7 -1,-0.2 -3,-0.3 -2,-0.2 0.719 99.2 61.4-105.8 -32.4 62.6 -17.0 9.9 102 245 A L H >X S+ 0 0 43 -4,-1.3 4,-3.5 1,-0.2 3,-0.6 0.858 111.1 41.2 -62.4 -37.1 64.1 -19.4 12.6 103 246 A Q H 3X S+ 0 0 133 -4,-1.1 4,-1.0 2,-0.2 5,-0.4 0.783 106.7 62.1 -79.4 -29.2 65.8 -21.3 9.8 104 247 A S H 34 S+ 0 0 41 -5,-0.2 -1,-0.2 3,-0.2 -2,-0.2 0.381 118.3 32.4 -70.5 3.8 66.6 -18.0 8.0 105 248 A F H <> S+ 0 0 29 -3,-0.6 4,-3.4 3,-0.1 -2,-0.2 0.637 125.2 37.4-122.5 -54.6 68.6 -17.6 11.3 106 249 A F H < S+ 0 0 92 -4,-3.5 -3,-0.2 2,-0.2 -2,-0.1 0.950 122.9 41.1 -68.1 -53.5 69.8 -21.0 12.4 107 250 A T T < S+ 0 0 107 -4,-1.0 -1,-0.2 -5,-0.2 -3,-0.2 0.603 122.8 45.1 -72.8 -11.6 70.6 -22.4 8.9 108 251 A K T 4 S+ 0 0 131 -5,-0.4 2,-0.4 1,-0.3 -2,-0.2 0.831 125.5 24.8 -94.4 -45.5 72.0 -19.0 8.1 109 252 A M < - 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0 0 2 1,-0.1 4,-2.7 -204,-0.1 5,-0.2 -0.880 61.2-147.1-105.7 129.9 13.6 -14.6 22.6 405 638 A E H > S+ 0 0 101 -2,-0.5 4,-2.7 1,-0.2 5,-0.1 0.862 97.7 50.1 -62.6 -39.3 16.3 -17.2 23.0 406 639 A N H > S+ 0 0 54 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.913 112.5 46.6 -68.7 -42.2 16.1 -18.6 19.4 407 640 A V H > S+ 0 0 0 1,-0.2 4,-1.1 2,-0.2 3,-0.4 0.966 116.4 46.1 -59.2 -50.4 16.3 -15.1 17.9 408 641 A R H X S+ 0 0 2 -4,-2.7 4,-2.1 1,-0.2 3,-0.3 0.857 108.2 56.1 -64.9 -35.2 19.2 -14.3 20.2 409 642 A A H X S+ 0 0 37 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.822 100.2 57.5 -70.5 -30.5 21.0 -17.6 19.5 410 643 A I H X S+ 0 0 1 -4,-1.6 4,-1.7 -3,-0.4 -1,-0.2 0.847 108.0 49.4 -68.2 -29.0 21.1 -17.1 15.8 411 644 A A H X S+ 0 0 0 -4,-1.1 4,-1.3 -3,-0.3 -2,-0.2 0.934 110.7 48.4 -69.6 -45.6 23.0 -13.8 16.5 412 645 A V H X S+ 0 0 5 -4,-2.1 4,-0.7 1,-0.2 -2,-0.2 0.848 106.9 58.9 -63.3 -31.8 25.3 -15.7 18.8 413 646 A Q H >< S+ 0 0 64 -4,-2.3 3,-1.5 1,-0.2 4,-0.4 0.959 103.6 50.4 -58.0 -50.3 25.8 -18.3 16.0 414 647 A K H >< S+ 0 0 15 -4,-1.7 3,-0.9 1,-0.3 -1,-0.2 0.797 101.4 62.7 -62.1 -28.9 27.0 -15.7 13.6 415 648 A L H >< S+ 0 0 2 -4,-1.3 3,-1.7 1,-0.2 -1,-0.3 0.730 84.0 78.4 -69.3 -22.5 29.6 -14.4 16.1 416 649 A E T << S+ 0 0 89 -3,-1.5 -1,-0.2 -4,-0.7 -2,-0.2 0.858 83.9 63.0 -55.8 -38.5 31.4 -17.7 16.1 417 650 A S T < S+ 0 0 86 -3,-0.9 2,-0.5 -4,-0.4 -1,-0.3 0.162 79.0 113.3 -78.3 21.8 33.1 -16.9 12.8 418 651 A L < - 0 0 10 -3,-1.7 2,-0.2 3,-0.0 -3,-0.0 -0.821 67.0-131.5 -91.1 129.1 34.9 -13.9 14.4 419 652 A E >> - 0 0 50 -2,-0.5 3,-1.8 1,-0.1 4,-1.5 -0.515 30.7-107.2 -71.8 150.2 38.6 -14.2 14.7 420 653 A D H 3> S+ 0 0 42 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.797 119.5 66.6 -54.0 -32.1 39.9 -13.4 18.2 421 654 A D H 34 S+ 0 0 9 -362,-0.3 4,-0.4 1,-0.2 -1,-0.3 0.908 106.3 40.0 -47.6 -49.5 41.3 -10.1 16.7 422 655 A D H <> S+ 0 0 34 -3,-1.8 4,-1.1 2,-0.2 3,-0.3 0.772 107.5 61.0 -80.0 -27.7 37.7 -8.9 16.1 423 656 A V H >X S+ 0 0 1 -4,-1.5 3,-1.3 1,-0.2 4,-1.0 0.962 100.7 56.5 -58.1 -49.6 36.2 -10.2 19.3 424 657 A L H 3< S+ 0 0 23 -4,-2.1 4,-0.3 1,-0.3 -1,-0.2 0.717 104.3 54.7 -54.7 -27.6 38.7 -7.9 21.1 425 658 A H H 34 S+ 0 0 36 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.2 0.823 119.7 28.7 -74.7 -33.2 37.1 -5.1 19.2 426 659 A Y H S+ 0 0 2 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.885 115.9 42.2 -57.3 -40.5 33.1 -4.5 25.9 429 662 A Q H > S+ 0 0 1 2,-0.2 4,-2.4 -3,-0.2 -2,-0.2 0.839 110.1 53.7 -82.9 -31.5 29.8 -4.3 24.1 430 663 A L H X S+ 0 0 0 -4,-2.5 4,-0.5 2,-0.2 -2,-0.2 0.925 112.6 48.0 -60.8 -42.7 29.2 -8.0 23.8 431 664 A V H >< S+ 0 0 0 -4,-2.7 3,-1.0 1,-0.2 4,-0.2 0.907 112.1 47.3 -63.3 -43.4 29.7 -8.0 27.6 432 665 A Q H >< S+ 0 0 4 -4,-2.1 3,-2.4 1,-0.2 -1,-0.2 0.879 102.0 65.9 -66.2 -32.5 27.3 -5.0 28.1 433 666 A A H >< S+ 0 0 0 -4,-2.4 3,-2.0 1,-0.3 4,-0.3 0.702 83.1 76.3 -61.6 -18.6 24.9 -6.8 25.8 434 667 A V G X< S+ 0 0 2 -3,-1.0 3,-1.2 -4,-0.5 -1,-0.3 0.755 80.6 69.7 -63.3 -22.4 24.6 -9.4 28.5 435 668 A K G < S+ 0 0 5 -3,-2.4 -1,-0.3 -4,-0.2 -2,-0.2 0.636 95.0 55.5 -68.3 -14.6 22.5 -6.9 30.4 436 669 A F G < S+ 0 0 10 -3,-2.0 -1,-0.2 -38,-0.2 -2,-0.2 0.471 81.1 107.3 -98.9 -6.5 19.8 -7.5 27.7 437 670 A E < - 0 0 16 -3,-1.2 -34,-0.1 -4,-0.3 5,-0.0 -0.603 62.6-148.2 -72.4 125.8 19.6 -11.3 28.3 438 671 A P S S+ 0 0 18 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.852 81.7 42.4 -57.5 -36.8 16.4 -12.4 30.0 439 672 A Y S S- 0 0 17 2,-0.1 -2,-0.0 1,-0.1 -181,-0.0 -0.810 78.5-126.4-116.9 157.6 18.2 -15.4 31.7 440 673 A H S S+ 0 0 21 -2,-0.3 2,-0.8 1,-0.1 -1,-0.1 0.824 101.3 62.7 -66.6 -34.7 21.6 -15.8 33.4 441 674 A D S S+ 0 0 41 4,-0.1 2,-0.3 3,-0.0 -1,-0.1 -0.849 74.9 153.9 -95.6 113.1 22.5 -18.7 31.2 442 675 A S > - 0 0 9 -2,-0.8 4,-2.4 1,-0.1 5,-0.2 -0.956 59.7-115.2-136.4 156.2 22.6 -17.5 27.6 443 676 A A H > S+ 0 0 45 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.826 120.3 51.7 -50.1 -32.7 24.2 -18.4 24.3 444 677 A L H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.929 106.4 49.5 -78.0 -44.8 26.0 -15.0 24.7 445 678 A A H > S+ 0 0 2 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.942 114.7 46.8 -56.3 -45.3 27.3 -15.6 28.2 446 679 A R H X S+ 0 0 86 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.881 108.4 54.8 -66.0 -39.2 28.7 -18.9 27.0 447 680 A F H X S+ 0 0 4 -4,-1.9 4,-2.3 1,-0.2 5,-0.3 0.916 108.3 48.8 -60.6 -43.8 30.2 -17.4 23.9 448 681 A L H X S+ 0 0 3 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.883 112.3 50.3 -60.8 -38.2 32.1 -14.9 26.0 449 682 A L H X S+ 0 0 1 -4,-1.8 4,-2.5 -5,-0.2 5,-0.2 0.978 112.2 45.4 -62.7 -60.1 33.2 -17.8 28.2 450 683 A K H X S+ 0 0 64 -4,-3.0 4,-1.8 1,-0.2 3,-0.4 0.958 117.6 42.4 -45.1 -66.3 34.4 -20.0 25.4 451 684 A R H X S+ 0 0 3 -4,-2.3 4,-1.1 1,-0.2 8,-0.3 0.857 112.3 56.1 -56.6 -38.6 36.3 -17.2 23.6 452 685 A G H < S+ 0 0 0 -4,-2.3 7,-0.7 -5,-0.3 3,-0.5 0.922 111.5 41.9 -56.6 -48.0 37.6 -15.9 26.8 453 686 A L H < S+ 0 0 0 -4,-2.5 -1,-0.2 -3,-0.4 -2,-0.2 0.701 108.4 59.8 -77.4 -22.4 39.2 -19.2 27.7 454 687 A R H < S+ 0 0 88 -4,-1.8 2,-0.4 1,-0.2 -1,-0.2 0.744 113.5 34.8 -75.5 -23.1 40.6 -19.9 24.2 455 688 A N X - 0 0 17 -4,-1.1 4,-2.8 -3,-0.5 -1,-0.2 -0.950 66.9-150.8-142.9 113.5 42.7 -16.7 24.2 456 689 A K H > S+ 0 0 28 -2,-0.4 4,-2.4 -403,-0.4 5,-0.1 0.771 97.3 56.0 -52.6 -38.0 44.5 -15.1 27.2 457 690 A R H > S+ 0 0 44 2,-0.2 4,-2.1 1,-0.2 3,-0.3 0.991 112.4 41.7 -61.2 -58.7 44.3 -11.6 25.9 458 691 A I H > S+ 0 0 0 1,-0.2 4,-3.1 2,-0.2 -2,-0.2 0.925 113.2 56.4 -46.5 -49.7 40.5 -11.8 25.6 459 692 A G H X S+ 0 0 0 -4,-2.8 4,-2.1 -7,-0.7 -1,-0.2 0.888 106.2 49.7 -52.3 -43.9 40.5 -13.6 28.9 460 693 A H H X S+ 0 0 8 -4,-2.4 4,-1.9 -3,-0.3 -1,-0.2 0.944 114.4 42.1 -62.3 -50.8 42.3 -10.7 30.6 461 694 A F H X S+ 0 0 24 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.864 110.0 58.3 -70.0 -31.7 40.0 -8.0 29.3 462 695 A L H X S+ 0 0 0 -4,-3.1 4,-2.7 -5,-0.3 5,-0.3 0.943 106.1 50.7 -59.0 -47.5 36.9 -10.2 30.0 463 696 A F H X S+ 0 0 0 -4,-2.1 4,-2.9 -5,-0.2 5,-0.2 0.959 114.6 41.3 -53.2 -57.3 38.0 -10.3 33.6 464 697 A W H X S+ 0 0 1 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.859 113.8 53.2 -63.6 -35.5 38.4 -6.6 34.0 465 698 A F H X S+ 0 0 10 -4,-2.8 4,-1.0 2,-0.2 -1,-0.2 0.955 114.9 40.2 -65.1 -48.7 35.3 -5.8 32.0 466 699 A L H >X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 3,-0.5 0.900 113.8 53.5 -65.8 -44.1 33.1 -8.0 34.2 467 700 A R H 3X S+ 0 0 18 -4,-2.9 4,-1.6 -5,-0.3 -1,-0.2 0.806 101.7 61.6 -62.5 -30.8 34.8 -6.9 37.4 468 701 A S H 3< S+ 0 0 0 -4,-1.7 4,-0.4 -5,-0.2 -1,-0.2 0.889 111.0 37.6 -60.9 -41.5 34.1 -3.3 36.4 469 702 A E H XX S+ 0 0 1 -4,-1.0 4,-2.1 -3,-0.5 3,-0.6 0.817 111.0 59.0 -79.7 -34.8 30.3 -3.9 36.5 470 703 A I H 3< S+ 0 0 1 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.864 110.5 44.5 -62.3 -35.2 30.4 -6.3 39.5 471 704 A A T 3< S+ 0 0 39 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.666 121.8 35.9 -78.3 -19.1 31.9 -3.5 41.5 472 705 A Q T <4 S+ 0 0 25 -3,-0.6 2,-0.4 -4,-0.4 -2,-0.2 0.572 108.3 45.5-126.1 -20.6 29.7 -0.7 40.4 473 706 A S >X - 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