==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE ACTIVATOR 16-JAN-13 4ISF . COMPND 2 MOLECULE: GLUCOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.HOSFIELD,R.J.SKENE . 428 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19938.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 301 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 23 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 165 38.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.6 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 2 1 1 1 2 0 1 2 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 0 1 0 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 PARALLEL BRIDGES PER LADDER . 0 0 1 0 2 0 1 0 0 1 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 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 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 9 A K 0 0 238 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 143.8 12.8 38.5 7.0 2 10 A P - 0 0 77 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.345 360.0 -90.1 -73.5 161.1 9.6 37.2 5.2 3 11 A M - 0 0 174 1,-0.1 3,-0.1 -2,-0.1 2,-0.0 -0.632 54.7-129.5 -65.6 118.1 6.2 38.6 5.8 4 12 A P - 0 0 48 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.290 24.1 -91.0 -74.6 159.1 5.0 36.4 8.6 5 13 A L > - 0 0 90 1,-0.1 4,-2.3 275,-0.1 3,-0.2 -0.573 31.9-142.3 -71.1 125.5 1.6 34.6 8.7 6 14 A T H > S+ 0 0 99 -2,-0.4 4,-2.1 1,-0.2 -1,-0.1 0.865 97.8 50.0 -55.9 -46.6 -1.0 36.8 10.3 7 15 A L H > S+ 0 0 101 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.868 112.1 48.6 -66.7 -36.4 -2.9 34.0 12.1 8 16 A V H > S+ 0 0 0 -3,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.923 110.6 50.6 -64.7 -46.7 0.4 32.7 13.6 9 17 A E H X S+ 0 0 65 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.854 104.3 58.8 -63.2 -36.5 1.5 36.2 14.7 10 18 A Q H < S+ 0 0 121 -4,-2.1 4,-0.4 2,-0.2 -1,-0.2 0.910 109.9 42.9 -56.9 -45.6 -1.9 36.7 16.4 11 19 A I H >< S+ 0 0 7 -4,-1.3 3,-1.2 1,-0.2 -2,-0.2 0.930 116.6 46.6 -67.5 -46.5 -1.3 33.7 18.6 12 20 A L H >< S+ 0 0 7 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.794 99.4 69.6 -67.1 -27.8 2.3 34.5 19.3 13 21 A A G >< S+ 0 0 38 -4,-2.5 3,-1.4 1,-0.3 -1,-0.2 0.665 80.8 76.9 -66.3 -15.4 1.4 38.2 20.1 14 22 A E G < S+ 0 0 79 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.733 87.5 60.3 -63.6 -23.9 -0.3 37.0 23.3 15 23 A F G < S+ 0 0 6 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.609 81.7 116.3 -77.0 -12.5 3.2 36.6 24.8 16 24 A Q < - 0 0 120 -3,-1.4 2,-0.4 -4,-0.2 327,-0.0 -0.276 44.8-169.6 -63.7 139.5 3.9 40.3 24.3 17 25 A L - 0 0 15 4,-0.0 2,-0.1 3,-0.0 -2,-0.0 -0.987 9.8-151.4-127.4 122.9 4.4 42.5 27.4 18 26 A Q > - 0 0 95 -2,-0.4 4,-1.8 1,-0.1 3,-0.5 -0.331 34.3 -97.8 -84.9 172.7 4.5 46.3 26.9 19 27 A E H > S+ 0 0 77 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.885 124.0 53.4 -61.3 -40.5 6.5 48.6 29.1 20 28 A E H > S+ 0 0 135 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.816 106.7 53.8 -65.7 -28.9 3.4 49.5 31.3 21 29 A D H > S+ 0 0 33 -3,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.937 111.0 45.3 -65.7 -46.1 2.8 45.8 31.9 22 30 A L H X S+ 0 0 5 -4,-1.8 4,-3.4 2,-0.2 -2,-0.2 0.890 110.9 52.0 -68.4 -40.0 6.4 45.3 33.1 23 31 A K H X S+ 0 0 75 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.877 110.0 50.7 -61.5 -38.5 6.2 48.4 35.3 24 32 A K H X S+ 0 0 77 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.940 113.3 44.7 -61.0 -47.9 3.0 47.0 36.8 25 33 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.934 112.6 52.7 -62.0 -43.7 4.8 43.7 37.4 26 34 A M H X S+ 0 0 19 -4,-3.4 4,-2.4 1,-0.2 -1,-0.2 0.880 109.0 48.5 -59.4 -44.4 7.8 45.5 38.8 27 35 A R H X S+ 0 0 120 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.873 110.5 51.3 -66.8 -39.2 5.7 47.5 41.3 28 36 A R H X S+ 0 0 74 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.908 110.6 49.0 -63.4 -41.0 4.0 44.4 42.4 29 37 A M H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.914 108.1 54.2 -61.6 -45.3 7.3 42.7 43.0 30 38 A Q H X S+ 0 0 23 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.888 107.1 51.0 -57.8 -39.8 8.6 45.7 44.9 31 39 A K H X S+ 0 0 99 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.894 111.0 48.2 -65.8 -39.7 5.6 45.5 47.2 32 40 A E H X S+ 0 0 21 -4,-1.8 4,-1.9 2,-0.2 15,-0.2 0.856 110.1 51.9 -68.0 -35.1 6.3 41.8 47.9 33 41 A M H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.923 109.7 50.1 -63.7 -44.9 9.9 42.6 48.5 34 42 A D H X S+ 0 0 49 -4,-2.5 4,-1.2 1,-0.2 3,-0.3 0.924 110.6 49.2 -54.0 -49.8 8.8 45.2 51.1 35 43 A R H < S+ 0 0 72 -4,-2.2 10,-0.2 1,-0.2 6,-0.2 0.855 109.8 52.9 -62.7 -33.9 6.5 42.7 52.7 36 44 A G H < S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.823 109.3 48.1 -68.5 -33.4 9.4 40.1 52.9 37 45 A L H < S+ 0 0 6 -4,-1.7 171,-1.1 -3,-0.3 172,-0.4 0.689 93.6 91.6 -81.3 -21.7 11.8 42.6 54.6 38 46 A R X - 0 0 111 -4,-1.2 4,-1.9 -3,-0.2 3,-0.4 -0.576 69.8-141.5 -84.3 136.5 9.4 43.7 57.3 39 47 A L T 4 S+ 0 0 111 -2,-0.3 4,-0.5 1,-0.2 -1,-0.1 0.905 101.6 53.7 -53.6 -43.5 9.2 42.0 60.7 40 48 A E T 4 S+ 0 0 133 1,-0.2 -1,-0.2 2,-0.1 4,-0.1 0.760 123.4 22.8 -69.2 -29.9 5.4 42.3 60.7 41 49 A T T > S+ 0 0 40 -3,-0.4 4,-1.0 -6,-0.2 3,-0.5 0.448 93.2 95.2-118.6 -6.0 4.7 40.7 57.4 42 50 A H T < S+ 0 0 37 -4,-1.9 3,-0.5 1,-0.2 -2,-0.1 0.867 82.2 58.1 -57.4 -42.2 7.7 38.5 56.7 43 51 A E T 4 S+ 0 0 141 -4,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.873 116.2 34.1 -57.0 -41.5 6.1 35.4 58.0 44 52 A E T 4 S+ 0 0 155 -3,-0.5 -1,-0.3 -9,-0.1 -2,-0.2 0.474 94.2 115.4 -92.7 -5.9 3.2 35.7 55.6 45 53 A A < - 0 0 1 -4,-1.0 3,-0.1 -3,-0.5 -13,-0.0 -0.469 53.2-157.5 -70.2 132.3 5.3 37.1 52.7 46 54 A S S S+ 0 0 16 -2,-0.2 2,-0.8 1,-0.2 179,-0.2 0.860 89.5 59.0 -74.7 -38.2 5.6 34.9 49.7 47 55 A V S S- 0 0 0 -15,-0.2 -1,-0.2 1,-0.1 175,-0.2 -0.843 79.8-164.1 -93.0 107.2 8.9 36.6 48.6 48 56 A K - 0 0 65 -2,-0.8 174,-0.2 174,-0.3 -1,-0.1 0.694 8.5-154.9 -79.1 -22.8 10.9 35.9 51.7 49 57 A M - 0 0 2 172,-1.7 172,-0.3 1,-0.2 173,-0.1 0.923 25.2-154.7 50.2 50.6 13.9 38.3 51.3 50 58 A L E -A 220 0A 69 170,-2.1 170,-2.8 169,-0.1 2,-0.2 -0.333 13.1-121.7 -64.2 123.6 16.0 36.0 53.4 51 59 A P E -A 219 0A 21 0, 0.0 168,-0.2 0, 0.0 -1,-0.1 -0.513 22.0-167.3 -59.9 130.9 18.9 37.6 55.3 52 60 A T E - 0 0 10 166,-2.4 167,-0.1 -2,-0.2 3,-0.1 0.552 29.0-131.4 -92.2 -14.3 22.0 35.8 54.1 53 61 A Y E + 0 0 80 165,-0.5 2,-1.0 1,-0.2 166,-0.1 0.609 64.7 136.0 62.0 15.5 24.2 37.3 56.9 54 62 A V E - 0 0 13 164,-0.4 164,-3.0 2,-0.0 -1,-0.2 -0.833 42.0-165.9 -89.1 102.9 26.7 38.2 54.2 55 63 A R E -A 217 0A 95 -2,-1.0 162,-0.2 162,-0.2 160,-0.1 -0.518 34.3-124.1 -97.7 159.1 27.5 41.7 55.4 56 64 A S S S+ 0 0 59 160,-2.2 161,-0.1 1,-0.2 -1,-0.1 0.608 106.1 47.8 -74.2 -16.4 29.2 44.7 53.7 57 65 A T 0 0 85 159,-0.3 -1,-0.2 1,-0.0 -2,-0.1 -0.979 360.0 360.0-126.3 118.5 31.7 44.7 56.6 58 66 A P 0 0 98 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 0.360 360.0 360.0 -89.3 360.0 33.3 41.4 57.7 59 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 60 69 A S 0 0 77 0, 0.0 2,-1.0 0, 0.0 368,-0.1 0.000 360.0 360.0 360.0-128.9 34.9 37.3 61.4 61 70 A E + 0 0 185 -3,-0.1 2,-0.4 366,-0.1 363,-0.0 -0.389 360.0 154.9 -68.5 96.8 38.7 36.4 61.4 62 71 A V - 0 0 38 -2,-1.0 20,-0.2 1,-0.2 3,-0.1 -0.951 23.5-161.6-107.9 141.7 39.2 32.8 60.2 63 72 A G + 0 0 31 -2,-0.4 19,-0.6 1,-0.2 -1,-0.2 0.789 58.1 16.6 -88.4-103.8 42.7 32.1 58.7 64 73 A D E +F 81 0B 37 17,-0.1 2,-0.3 15,-0.0 -1,-0.2 -0.388 68.0 166.2 -73.1 148.5 43.3 29.2 56.4 65 74 A F E -F 80 0B 2 15,-2.0 15,-3.1 67,-0.2 2,-0.4 -0.984 31.2-114.2-154.3 165.3 40.5 27.3 54.8 66 75 A L E -Fg 79 134B 0 67,-3.0 69,-2.3 -2,-0.3 2,-0.4 -0.816 16.8-162.3-101.8 141.9 39.7 24.7 52.1 67 76 A S E -Fg 78 135B 0 11,-2.9 11,-2.3 -2,-0.4 2,-0.6 -0.995 5.7-164.2-118.9 128.7 37.8 25.3 49.0 68 77 A L E -Fg 77 136B 0 67,-2.7 69,-2.3 -2,-0.4 2,-0.6 -0.934 2.9-164.6-117.5 106.4 36.5 22.3 47.1 69 78 A D E -Fg 76 137B 9 7,-2.3 7,-2.8 -2,-0.6 2,-0.6 -0.829 6.7-154.5 -94.9 116.5 35.4 22.9 43.5 70 79 A L E +Fg 75 138B 19 67,-2.5 69,-2.7 -2,-0.6 5,-0.2 -0.832 17.6 175.9 -91.9 120.0 33.3 20.1 42.1 71 80 A G - 0 0 17 3,-2.4 69,-0.2 -2,-0.6 -1,-0.0 -0.112 48.4 -79.9 -96.8-157.1 33.4 19.8 38.3 72 81 A G S S- 0 0 53 67,-0.4 68,-0.1 1,-0.1 3,-0.0 0.980 117.9 -8.6 -71.8 -59.5 31.8 17.2 36.0 73 82 A T S S+ 0 0 83 -3,-0.0 25,-1.7 2,-0.0 2,-0.3 0.097 132.6 54.4-127.8 15.4 34.3 14.4 36.4 74 83 A N E - H 0 97B 50 23,-0.2 -3,-2.4 2,-0.0 2,-0.3 -0.885 60.8-158.6-139.1 166.2 37.0 16.2 38.3 75 84 A F E -FH 70 96B 1 21,-2.1 21,-3.1 -2,-0.3 2,-0.5 -0.988 10.3-137.8-148.8 158.6 37.4 18.2 41.5 76 85 A R E -FH 69 95B 18 -7,-2.8 -7,-2.3 -2,-0.3 2,-0.5 -0.958 6.0-160.1-117.8 129.7 39.8 20.8 42.9 77 86 A V E -FH 68 94B 2 17,-2.4 17,-2.0 -2,-0.5 2,-0.4 -0.945 20.2-176.4-103.1 129.8 41.0 21.0 46.4 78 87 A M E -FH 67 93B 0 -11,-2.3 -11,-2.9 -2,-0.5 2,-0.5 -0.992 22.8-150.4-134.9 131.9 42.4 24.4 47.3 79 88 A L E -FH 66 92B 7 13,-3.1 13,-1.7 -2,-0.4 2,-0.3 -0.890 28.6-171.4 -96.8 129.2 44.0 25.8 50.4 80 89 A V E -FH 65 91B 1 -15,-3.1 -15,-2.0 -2,-0.5 2,-0.4 -0.926 22.2-174.0-128.9 145.3 43.2 29.5 50.8 81 90 A K E -FH 64 90B 90 9,-2.1 9,-2.6 -2,-0.3 2,-0.6 -0.963 13.6-157.8-137.1 117.1 44.4 32.3 53.0 82 91 A V E - H 0 89B 18 -19,-0.6 2,-0.3 -2,-0.4 7,-0.2 -0.884 15.1-174.0 -98.6 123.9 42.6 35.6 52.7 83 92 A G E H 0 88B 25 5,-2.1 5,-2.5 -2,-0.6 -2,-0.0 -0.833 360.0 360.0-116.4 155.0 44.6 38.6 53.9 84 93 A E 0 0 121 -2,-0.3 3,-0.2 3,-0.2 -1,-0.0 -0.426 360.0 360.0 -75.6 360.0 43.7 42.3 54.3 85 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 86 98 A Q 0 0 189 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 96.4 41.8 45.1 49.5 87 99 A W - 0 0 100 -3,-0.2 2,-0.4 -5,-0.0 -3,-0.2 -0.891 360.0-152.0-101.6 126.1 41.7 41.4 50.1 88 100 A S E -H 83 0B 65 -5,-2.5 -5,-2.1 -2,-0.5 2,-0.8 -0.838 5.9-150.6 -92.7 134.3 44.5 39.2 48.8 89 101 A V E -H 82 0B 11 -2,-0.4 2,-0.4 -7,-0.2 -7,-0.2 -0.861 15.0-169.3-107.8 95.9 43.4 35.6 48.0 90 102 A K E +H 81 0B 151 -9,-2.6 -9,-2.1 -2,-0.8 2,-0.3 -0.715 15.7 175.3 -86.9 132.3 46.5 33.4 48.5 91 103 A T E -H 80 0B 25 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.967 31.4-178.7-140.5 153.0 46.1 29.8 47.1 92 104 A K E +H 79 0B 108 -13,-1.7 -13,-3.1 -2,-0.3 2,-0.3 -0.962 29.7 169.7-139.9 145.2 47.6 26.4 46.5 93 105 A H E -H 78 0B 86 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.883 27.0-149.2-149.2 173.6 45.6 23.7 44.9 94 106 A Q E -H 77 0B 65 -17,-2.0 -17,-2.4 -2,-0.3 2,-0.3 -0.914 15.0-141.1-154.2 124.6 45.4 20.3 43.3 95 107 A M E -H 76 0B 90 -2,-0.3 2,-0.4 -19,-0.2 -19,-0.2 -0.686 21.5-164.5 -77.7 138.8 43.0 18.9 40.6 96 108 A Y E -H 75 0B 34 -21,-3.1 -21,-2.1 -2,-0.3 2,-0.4 -0.978 11.4-141.5-123.5 142.5 41.9 15.3 41.1 97 109 A S E -H 74 0B 77 -2,-0.4 -23,-0.2 -23,-0.2 -21,-0.0 -0.825 19.0-130.0 -96.3 140.3 40.3 12.9 38.6 98 110 A I - 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0 0 42 -7,-0.1 -5,-0.2 1,-0.1 -2,-0.1 -0.190 55.1-147.4 120.7 143.6 21.3 47.3 63.2 213 247 A D + 0 0 117 -2,-0.1 -8,-0.5 -8,-0.1 2,-0.4 0.164 65.2 103.0-125.4 15.6 21.0 50.0 60.6 214 248 A E S S- 0 0 137 -10,-0.2 0, 0.0 -11,-0.1 0, 0.0 -0.814 80.1 -13.7-104.7 139.6 24.7 50.4 59.6 215 249 A G S S- 0 0 26 -2,-0.4 -11,-2.4 -159,-0.1 -10,-0.3 -0.221 86.0 -72.3 72.4-160.0 26.1 49.0 56.4 216 250 A R E - D 0 203A 69 -13,-0.2 -160,-2.2 -12,-0.1 2,-0.3 -0.878 30.6-156.6-132.8 160.9 24.4 46.5 54.1 217 251 A M E -AD 55 202A 0 -15,-2.3 -15,-2.5 -2,-0.3 -162,-0.2 -0.996 29.1-108.9-140.5 141.8 23.5 42.8 54.0 218 252 A C E - D 0 201A 0 -164,-3.0 -166,-2.4 -2,-0.3 2,-0.5 -0.463 32.7-158.5 -67.9 133.8 22.9 40.5 51.2 219 253 A V E -AD 51 200A 0 -19,-2.6 -19,-1.7 -168,-0.2 2,-0.9 -0.981 10.9-145.9-120.3 126.9 19.3 39.5 50.9 220 254 A N E -AD 50 199A 11 -170,-2.8 -170,-2.1 -2,-0.5 -21,-0.2 -0.838 12.5-165.9 -91.7 104.5 18.2 36.4 49.1 221 255 A T - 0 0 0 -23,-2.0 -172,-1.7 -2,-0.9 -173,-0.3 0.861 7.3-159.1 -61.2 -37.6 14.9 37.4 47.5 222 256 A E > + 0 0 70 -24,-0.5 3,-1.5 -174,-0.2 -174,-0.3 0.892 26.6 169.1 46.9 46.9 13.8 33.8 46.6 223 257 A W G > + 0 0 0 -25,-0.3 3,-1.8 1,-0.3 32,-0.1 0.523 49.8 90.7 -70.7 -5.3 11.6 35.8 44.2 224 258 A G G 3 S+ 0 0 1 1,-0.3 32,-1.6 -28,-0.3 31,-0.7 0.780 79.4 62.6 -56.2 -28.9 10.5 32.6 42.4 225 259 A A G X S+ 0 0 17 -3,-1.5 3,-1.1 -179,-0.2 29,-0.3 0.536 75.7 119.6 -78.7 -9.8 7.6 32.4 44.8 226 260 A F T < + 0 0 0 -3,-1.8 29,-1.9 1,-0.2 30,-0.2 -0.264 60.2 45.5 -52.2 138.3 6.1 35.7 43.6 227 261 A G T > + 0 0 1 27,-0.2 3,-1.9 26,-0.1 5,-0.4 0.216 67.8 112.7 113.2 -14.1 2.6 35.2 42.1 228 262 A D T < S+ 0 0 77 -3,-1.1 -2,-0.1 1,-0.3 -3,-0.0 0.538 81.0 52.3 -77.8 -1.7 0.8 33.0 44.6 229 263 A S T 3 S- 0 0 91 0, 0.0 -1,-0.3 0, 0.0 -3,-0.1 0.106 129.7 -92.4-108.7 19.2 -1.5 35.8 45.5 230 264 A G S X S+ 0 0 22 -3,-1.9 3,-1.0 3,-0.0 4,-0.4 0.540 82.0 138.4 86.8 10.5 -2.5 36.6 41.9 231 265 A E T 3 S+ 0 0 13 1,-0.3 -203,-0.1 2,-0.1 -3,-0.1 0.673 84.1 30.3 -64.4 -17.8 0.2 39.2 41.3 232 266 A L T >> S+ 0 0 0 -5,-0.4 3,-2.4 2,-0.1 4,-0.7 0.418 88.1 109.1-113.2 -2.4 0.8 37.7 37.8 233 267 A D G X4 S+ 0 0 76 -3,-1.0 3,-1.2 1,-0.3 -2,-0.1 0.810 75.1 54.3 -52.2 -42.7 -2.7 36.4 37.1 234 268 A E G 34 S+ 0 0 100 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.687 110.7 47.7 -66.3 -18.3 -3.6 38.9 34.4 235 269 A F G <4 S+ 0 0 19 -3,-2.4 -1,-0.3 2,-0.1 2,-0.2 0.495 86.5 110.0 -99.6 -6.7 -0.4 38.0 32.4 236 270 A L << - 0 0 23 -3,-1.2 2,-0.2 -4,-0.7 22,-0.0 -0.509 53.6-155.9 -74.7 135.5 -0.9 34.3 32.6 237 271 A L > - 0 0 27 -2,-0.2 4,-2.1 1,-0.1 3,-0.4 -0.631 35.1 -97.6-103.1 165.2 -1.7 32.5 29.4 238 272 A E H > S+ 0 0 83 1,-0.2 4,-2.3 -2,-0.2 5,-0.2 0.842 125.6 55.6 -44.2 -41.5 -3.5 29.2 28.8 239 273 A Y H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.901 106.5 49.0 -64.3 -43.5 -0.1 27.6 28.4 240 274 A D H > S+ 0 0 10 -3,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.884 110.2 51.5 -62.4 -41.8 1.1 28.9 31.8 241 275 A R H X S+ 0 0 110 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.913 111.4 46.9 -62.7 -44.7 -2.0 27.6 33.5 242 276 A L H X S+ 0 0 87 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.930 112.1 50.3 -63.1 -46.2 -1.6 24.1 32.0 243 277 A V H < S+ 0 0 7 -4,-2.5 4,-0.4 1,-0.2 3,-0.2 0.950 114.0 45.2 -54.5 -52.4 2.1 24.1 33.0 244 278 A D H >< S+ 0 0 29 -4,-2.7 3,-1.3 1,-0.2 -2,-0.2 0.916 110.4 53.9 -57.3 -46.9 1.2 25.1 36.5 245 279 A E H 3< S+ 0 0 142 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.827 113.6 41.5 -60.9 -36.0 -1.7 22.6 36.7 246 280 A S T 3< S+ 0 0 70 -4,-2.0 -1,-0.3 -3,-0.2 -2,-0.2 0.367 97.5 104.4 -92.7 4.1 0.6 19.6 35.8 247 281 A S S < S- 0 0 15 -3,-1.3 -3,-0.1 -4,-0.4 -4,-0.0 -0.251 84.9-111.1 -80.4 170.3 3.5 20.8 37.9 248 282 A A S S+ 0 0 107 1,-0.2 -1,-0.1 -2,-0.0 -4,-0.1 0.723 114.5 34.2 -68.2 -21.8 4.6 19.3 41.3 249 283 A N S > S- 0 0 37 3,-0.1 3,-2.3 -5,-0.1 -1,-0.2 -0.511 79.9-164.8-137.4 62.5 3.5 22.5 43.1 250 284 A P T 3 S+ 0 0 73 0, 0.0 -5,-0.1 0, 0.0 3,-0.1 -0.261 78.4 21.2 -57.9 135.9 0.4 24.0 41.4 251 285 A G T 3 S+ 0 0 32 1,-0.3 3,-0.3 2,-0.0 2,-0.3 0.185 109.8 93.2 94.8 -14.7 -0.2 27.6 42.5 252 286 A Q S < S+ 0 0 107 -3,-2.3 -1,-0.3 1,-0.2 -3,-0.1 -0.744 78.7 18.2-114.9 159.0 3.4 28.1 43.6 253 287 A Q S > S+ 0 0 43 -2,-0.3 4,-2.3 -28,-0.2 -1,-0.2 0.817 70.5 154.9 53.1 37.4 6.5 29.5 42.0 254 288 A L H > + 0 0 14 -29,-0.3 4,-0.9 -3,-0.3 -27,-0.2 0.879 69.3 50.7 -62.9 -37.9 4.4 31.1 39.3 255 289 A Y H >> S+ 0 0 0 -29,-1.9 3,-1.2 -31,-0.7 4,-0.7 0.961 112.0 46.7 -64.2 -50.3 7.0 33.8 38.6 256 290 A E H >> S+ 0 0 32 -32,-1.6 4,-3.2 1,-0.3 3,-0.8 0.831 104.8 62.2 -59.1 -35.1 9.7 31.2 38.2 257 291 A K H 3< S+ 0 0 10 -4,-2.3 -1,-0.3 -33,-0.3 -2,-0.2 0.764 102.9 50.6 -63.6 -25.7 7.3 29.2 36.0 258 292 A L H << S+ 0 0 3 -3,-1.2 -1,-0.2 -4,-0.9 -2,-0.2 0.678 126.3 22.6 -80.1 -19.2 7.3 32.2 33.5 259 293 A I H << S+ 0 0 1 -3,-0.8 -2,-0.2 -4,-0.7 -3,-0.2 0.774 93.4 100.3-115.7 -42.2 11.1 32.4 33.4 260 294 A G >X - 0 0 0 -4,-3.2 4,-1.1 -5,-0.1 3,-1.1 -0.110 67.7-128.7 -68.0 150.1 12.9 29.2 34.3 261 295 A G H 3> S+ 0 0 9 -68,-3.1 4,-0.5 1,-0.2 37,-0.3 0.647 102.2 76.7 -64.4 -17.1 14.4 26.6 32.0 262 296 A K H 34 S+ 0 0 133 -68,-1.7 -1,-0.2 -69,-0.3 4,-0.2 0.886 113.0 18.4 -58.9 -38.8 12.5 24.0 33.9 263 297 A Y H <> S+ 0 0 19 -3,-1.1 4,-2.6 -69,-0.3 -2,-0.2 0.504 99.4 93.6-112.7 -8.1 9.2 24.9 32.2 264 298 A M H X S+ 0 0 4 -4,-1.1 4,-2.3 1,-0.2 5,-0.1 0.907 89.2 45.6 -59.9 -48.5 10.4 26.9 29.1 265 299 A G H X S+ 0 0 1 -4,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.874 112.3 52.4 -60.2 -40.1 10.4 23.9 26.7 266 300 A E H > S+ 0 0 26 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.912 107.0 52.5 -63.8 -42.7 7.0 22.8 28.0 267 301 A L H X S+ 0 0 2 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.953 110.8 47.7 -57.7 -47.7 5.6 26.2 27.3 268 302 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.935 108.1 55.7 -57.7 -47.6 6.9 26.0 23.7 269 303 A R H X S+ 0 0 16 -4,-2.7 4,-2.2 27,-0.3 -1,-0.2 0.883 108.7 47.0 -52.1 -43.6 5.4 22.5 23.3 270 304 A L H X S+ 0 0 17 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.850 109.9 53.1 -71.2 -34.2 2.0 23.8 24.3 271 305 A V H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.939 110.1 48.0 -63.2 -46.4 2.3 26.8 21.9 272 306 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.917 109.3 53.6 -60.5 -44.4 3.1 24.4 19.1 273 307 A L H X S+ 0 0 27 -4,-2.2 4,-3.0 -5,-0.2 -1,-0.2 0.865 108.3 49.3 -59.4 -39.0 0.2 22.2 19.9 274 308 A R H X S+ 0 0 55 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.916 112.0 48.4 -65.0 -42.0 -2.2 25.2 19.8 275 309 A L H <>S+ 0 0 0 -4,-2.2 5,-3.2 2,-0.2 6,-0.7 0.886 113.1 48.3 -64.8 -39.7 -0.7 26.1 16.4 276 310 A V H ><5S+ 0 0 3 -4,-2.9 3,-2.1 4,-0.2 -2,-0.2 0.945 110.2 51.9 -59.5 -50.8 -1.2 22.5 15.3 277 311 A D H 3<5S+ 0 0 130 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.809 109.3 49.7 -57.5 -33.7 -4.7 22.5 16.6 278 312 A E T 3<5S- 0 0 91 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.280 117.7-113.5 -89.8 12.4 -5.5 25.7 14.6 279 313 A N T < 5S+ 0 0 114 -3,-2.1 -3,-0.2 2,-0.2 -2,-0.1 0.861 87.0 115.3 58.0 40.2 -4.0 24.1 11.5 280 314 A L S S- 0 0 0 -6,-0.7 3,-2.5 -5,-0.2 4,-0.2 -0.995 119.6 -1.2-147.3 144.9 1.7 24.1 11.9 282 316 A F G > S- 0 0 15 -2,-0.3 3,-2.2 1,-0.3 -1,-0.1 0.764 116.7 -75.3 43.9 37.2 2.6 20.6 10.6 283 317 A H G 3 S- 0 0 154 1,-0.3 -1,-0.3 -4,-0.1 3,-0.1 0.797 88.5 -59.9 44.4 36.7 -0.7 20.7 8.6 284 318 A G G < S+ 0 0 27 -3,-2.5 2,-0.5 1,-0.2 -1,-0.3 0.587 112.7 115.0 74.3 12.3 -2.6 20.1 11.9 285 319 A E < - 0 0 152 -3,-2.2 2,-0.3 -4,-0.2 -1,-0.2 -0.948 44.0-170.3-116.5 112.2 -0.9 16.8 12.6 286 320 A A - 0 0 24 -2,-0.5 2,-0.1 -3,-0.1 36,-0.0 -0.744 24.1-117.2 -94.7 147.9 1.3 16.6 15.7 287 321 A S > - 0 0 16 -2,-0.3 4,-1.5 34,-0.2 3,-0.3 -0.425 24.9-112.2 -77.5 158.8 3.5 13.6 16.5 288 322 A E T 4 S+ 0 0 136 1,-0.2 -1,-0.1 2,-0.2 34,-0.1 0.799 120.6 56.8 -60.7 -30.2 3.0 11.4 19.5 289 323 A Q T >4 S+ 0 0 65 32,-0.4 3,-1.1 1,-0.2 -1,-0.2 0.879 105.1 50.4 -67.3 -38.3 6.3 12.8 20.8 290 324 A L T 34 S+ 0 0 0 31,-0.5 -2,-0.2 -3,-0.3 -1,-0.2 0.788 108.3 52.7 -70.6 -27.5 5.0 16.4 20.5 291 325 A R T 3< S+ 0 0 151 -4,-1.5 2,-0.5 2,-0.1 -1,-0.3 0.334 92.0 98.9 -87.6 6.9 1.8 15.3 22.5 292 326 A T S X S- 0 0 67 -3,-1.1 3,-1.9 -5,-0.2 4,-0.4 -0.851 83.5-113.6 -98.0 125.9 4.1 13.9 25.2 293 327 A R T 3 S+ 0 0 145 -2,-0.5 -2,-0.1 1,-0.3 -27,-0.0 -0.314 98.9 10.5 -57.4 130.6 4.7 16.1 28.3 294 328 A G T 3 S+ 0 0 42 2,-0.1 -1,-0.3 -4,-0.1 4,-0.1 0.383 90.1 119.7 82.0 -1.9 8.3 17.3 28.6 295 329 A A < + 0 0 22 -3,-1.9 2,-1.3 -6,-0.2 -2,-0.1 0.879 62.2 67.8 -65.0 -39.7 9.2 16.1 25.1 296 330 A F S S- 0 0 2 -4,-0.4 -27,-0.3 -6,-0.2 -1,-0.2 -0.705 85.3-153.8 -83.1 96.4 10.2 19.6 23.9 297 331 A E >> - 0 0 102 -2,-1.3 3,-0.9 1,-0.1 4,-0.7 -0.339 21.6-122.0 -72.1 150.5 13.3 20.1 26.1 298 332 A T H >> S+ 0 0 15 -37,-0.3 4,-1.6 1,-0.3 3,-1.2 0.860 114.5 62.2 -60.2 -35.5 14.3 23.7 27.0 299 333 A R H 3> S+ 0 0 126 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.822 96.8 60.3 -60.7 -28.6 17.7 23.0 25.3 300 334 A F H <> S+ 0 0 13 -3,-0.9 4,-2.2 2,-0.2 -1,-0.3 0.801 100.9 55.2 -64.7 -30.7 15.6 22.5 22.1 301 335 A V H < S+ 0 0 0 -4,-2.2 3,-1.0 1,-0.2 10,-0.2 0.931 112.2 47.9 -58.6 -44.8 16.1 26.4 17.7 305 339 A E H 3< S+ 0 0 5 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.658 103.1 63.4 -71.0 -16.8 17.0 30.0 18.3 306 340 A S H 3< S+ 0 0 55 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.642 74.5 122.1 -80.3 -16.2 20.7 29.3 17.5 307 341 A D << - 0 0 8 -3,-1.0 -3,-0.0 -4,-0.6 -4,-0.0 -0.160 62.0-141.1 -49.6 137.6 19.8 28.3 13.9 308 342 A T - 0 0 127 1,-0.1 -1,-0.1 0, 0.0 -3,-0.1 0.276 56.9 -83.7 -88.3 11.7 21.7 30.5 11.4 309 343 A G S S+ 0 0 49 22,-0.0 -2,-0.1 0, 0.0 -1,-0.1 0.118 113.5 103.9 102.1 -17.0 18.7 30.9 9.0 310 344 A D S S- 0 0 100 1,-0.1 -3,-0.0 4,-0.0 0, 0.0 0.710 78.1-141.8 -64.4 -25.2 19.7 27.5 7.4 311 345 A R > + 0 0 83 -7,-0.1 4,-2.7 19,-0.1 5,-0.2 0.473 69.7 117.5 67.6 6.7 16.8 25.8 9.3 312 346 A K H > S+ 0 0 122 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.911 72.4 46.9 -67.8 -46.5 19.2 22.8 9.8 313 347 A Q H > S+ 0 0 78 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.941 117.2 43.7 -59.8 -48.6 19.2 23.1 13.6 314 348 A I H > S+ 0 0 2 1,-0.2 4,-2.6 -10,-0.2 5,-0.2 0.920 111.8 51.6 -66.7 -48.0 15.4 23.4 13.7 315 349 A Y H X S+ 0 0 98 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.872 111.3 49.7 -57.3 -37.6 14.7 20.7 11.2 316 350 A N H X S+ 0 0 83 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.879 109.9 50.1 -71.7 -38.6 16.9 18.3 13.2 317 351 A I H X S+ 0 0 4 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.942 115.5 42.5 -57.9 -50.3 15.2 19.1 16.5 318 352 A L H <>S+ 0 0 0 -4,-2.6 5,-2.3 1,-0.2 -2,-0.2 0.813 108.2 58.3 -75.0 -30.5 11.7 18.5 15.0 319 353 A S H ><5S+ 0 0 50 -4,-2.1 3,-1.7 -5,-0.2 -1,-0.2 0.882 102.3 55.7 -63.6 -38.8 12.8 15.4 13.1 320 354 A T H 3<5S+ 0 0 99 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.868 102.8 56.7 -56.9 -37.2 13.8 13.9 16.5 321 355 A L T 3<5S- 0 0 8 -4,-1.0 -31,-0.5 -5,-0.1 -32,-0.4 0.188 125.7-104.2 -82.5 17.5 10.2 14.6 17.6 322 356 A G T < 5S+ 0 0 40 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.734 79.4 134.1 69.2 23.4 8.9 12.5 14.7 323 357 A L < - 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