==== 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 15-DEC-05 2C9Z . COMPND 2 MOLECULE: UDP GLUCOSE\:FLAVONOID 3-O-GLUCOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VITIS VINIFERA; . AUTHOR W.OFFEN,C.MARTINEZ-FLEITES,E.KIAT-LIM,M.YANG,B.G.DAVIS, . 438 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19179.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 301 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 1 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 . 22 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 157 35.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.4 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 3 0 1 3 0 3 0 1 1 3 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 4 2 4 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 6 A T 0 0 119 0, 0.0 437,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 173.2 -8.5 -9.0 59.9 2 7 A N - 0 0 82 1,-0.2 436,-0.1 435,-0.1 31,-0.1 -0.247 360.0 -60.0 -73.3 170.4 -8.2 -6.3 57.2 3 8 A P - 0 0 1 0, 0.0 31,-2.2 0, 0.0 2,-0.4 -0.177 41.4-171.7 -65.1 144.5 -7.6 -7.3 53.6 4 9 A H E -a 34 0A 0 100,-0.2 102,-3.1 29,-0.2 103,-1.2 -0.936 13.1-161.3-130.4 107.2 -4.6 -9.3 52.3 5 10 A V E -ab 35 107A 0 29,-2.8 31,-2.6 -2,-0.4 2,-0.4 -0.814 3.3-154.7 -97.1 117.5 -4.6 -9.4 48.5 6 11 A A E -ab 36 108A 0 101,-2.5 103,-3.1 -2,-0.6 2,-0.5 -0.766 9.1-162.2 -88.5 130.6 -2.4 -12.1 46.9 7 12 A V E -ab 37 109A 0 29,-2.8 31,-3.5 -2,-0.4 2,-0.7 -0.971 2.8-164.3-120.2 117.4 -1.3 -11.2 43.4 8 13 A L E -ab 38 110A 0 101,-2.5 103,-2.6 -2,-0.5 106,-0.2 -0.884 11.2-162.1-109.1 106.8 -0.1 -14.0 41.1 9 14 A A - 0 0 0 29,-2.7 7,-0.1 -2,-0.7 34,-0.0 -0.484 21.3-129.6 -85.0 154.0 1.8 -12.8 38.0 10 15 A F - 0 0 5 -2,-0.2 2,-0.3 2,-0.1 5,-0.3 -0.946 23.9-150.4 -97.3 114.0 2.6 -14.7 34.8 11 16 A P + 0 0 21 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.040 60.8 91.5 -85.8 29.5 6.3 -14.1 34.5 12 17 A F S > S- 0 0 38 -2,-0.3 3,-1.0 67,-0.0 4,-0.2 -0.867 87.5 -17.2-123.3 159.3 6.7 -14.2 30.7 13 18 A S T 3 S- 0 0 57 -2,-0.3 2,-0.5 1,-0.2 3,-0.4 -0.101 119.8 -32.6 41.1-138.3 6.5 -11.5 28.0 14 19 A T T 3 S+ 0 0 54 1,-0.2 -1,-0.2 2,-0.1 324,-0.1 -0.375 106.0 106.7-105.7 56.3 4.9 -8.3 29.2 15 20 A H S <> S+ 0 0 15 -3,-1.0 4,-0.9 -2,-0.5 -1,-0.2 0.783 72.3 50.2 -98.4 -38.1 2.4 -9.8 31.7 16 21 A A H > S+ 0 0 6 -3,-0.4 4,-2.3 -6,-0.3 5,-0.2 0.865 103.3 57.8 -77.0 -38.0 3.8 -8.9 35.1 17 22 A A H > S+ 0 0 45 2,-0.2 4,-2.6 1,-0.2 -1,-0.1 0.932 107.2 44.6 -60.7 -54.1 4.5 -5.2 34.6 18 23 A P H > S+ 0 0 10 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.850 112.8 54.4 -59.7 -32.7 0.9 -4.1 33.8 19 24 A L H X S+ 0 0 0 -4,-0.9 4,-2.1 2,-0.2 -2,-0.2 0.912 109.2 46.7 -66.0 -42.5 -0.3 -6.3 36.7 20 25 A L H X S+ 0 0 11 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.914 107.4 59.4 -62.0 -40.6 2.1 -4.4 39.0 21 26 A A H X S+ 0 0 40 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.918 109.4 41.7 -54.9 -45.5 0.8 -1.1 37.5 22 27 A V H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 -1,-0.2 0.884 111.0 56.0 -68.1 -41.1 -2.8 -1.9 38.6 23 28 A V H X S+ 0 0 1 -4,-2.1 4,-3.1 2,-0.2 -2,-0.2 0.914 105.5 52.9 -57.2 -44.7 -1.7 -3.2 42.0 24 29 A R H X S+ 0 0 77 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.924 112.2 44.7 -52.3 -50.7 0.1 0.2 42.5 25 30 A R H X S+ 0 0 41 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.876 114.6 48.7 -61.2 -43.4 -3.3 1.9 41.7 26 31 A L H X S+ 0 0 2 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.878 108.6 53.6 -65.3 -39.8 -5.2 -0.5 43.9 27 32 A A H < S+ 0 0 1 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.858 110.5 46.8 -65.6 -34.8 -2.8 -0.1 46.8 28 33 A A H < S+ 0 0 66 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.846 115.6 45.9 -71.0 -36.3 -3.2 3.7 46.7 29 34 A A H < S+ 0 0 50 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.731 121.2 37.2 -82.7 -23.6 -7.0 3.4 46.5 30 35 A A >< + 0 0 0 -4,-2.1 3,-1.5 -5,-0.1 -1,-0.3 -0.649 68.4 165.7-125.9 75.6 -7.2 0.8 49.3 31 36 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.647 73.0 60.3 -70.8 -15.8 -4.5 1.9 51.8 32 37 A H T 3 S+ 0 0 86 -3,-0.1 2,-0.3 2,-0.1 -30,-0.1 0.589 93.0 83.2 -84.5 -13.6 -5.8 -0.3 54.6 33 38 A A S < S- 0 0 1 -3,-1.5 2,-0.3 -6,-0.2 -29,-0.2 -0.693 71.5-141.6 -91.2 142.1 -5.2 -3.4 52.5 34 39 A V E -a 4 0A 37 -31,-2.2 -29,-2.8 -2,-0.3 2,-0.4 -0.835 14.4-151.6 -98.7 144.5 -1.8 -5.2 52.2 35 40 A F E -ac 5 56A 3 20,-3.1 22,-1.9 -2,-0.3 2,-0.5 -0.954 8.2-164.6-121.6 133.7 -0.7 -6.6 48.8 36 41 A S E -ac 6 57A 2 -31,-2.6 -29,-2.8 -2,-0.4 2,-0.6 -0.972 11.5-157.7-122.0 113.2 1.7 -9.5 48.2 37 42 A F E -ac 7 58A 0 20,-2.0 22,-2.6 -2,-0.5 2,-0.5 -0.828 7.0-161.7-102.2 118.1 3.0 -9.7 44.7 38 43 A F E +ac 8 59A 0 -31,-3.5 -29,-2.7 -2,-0.6 2,-0.3 -0.891 30.6 122.0-108.3 119.5 4.2 -13.2 43.5 39 44 A S E - c 0 60A 0 20,-1.7 22,-2.6 -2,-0.5 2,-0.1 -0.881 63.4 -68.6-150.6-177.8 6.5 -13.7 40.5 40 45 A T > - 0 0 5 -2,-0.3 4,-2.9 20,-0.2 5,-0.2 -0.404 46.5-111.9 -73.2 158.3 9.9 -15.3 39.8 41 46 A S H > S+ 0 0 56 20,-0.5 4,-2.6 1,-0.2 5,-0.2 0.893 120.4 51.2 -58.3 -41.1 13.0 -13.6 41.1 42 47 A Q H > S+ 0 0 108 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.895 112.7 46.6 -60.2 -43.2 14.0 -12.6 37.5 43 48 A S H > S+ 0 0 13 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.942 114.1 45.7 -67.1 -51.8 10.6 -11.1 36.9 44 49 A N H X S+ 0 0 4 -4,-2.9 4,-2.8 2,-0.2 5,-0.2 0.911 109.2 54.1 -57.6 -49.0 10.4 -9.2 40.2 45 50 A A H < S+ 0 0 67 -4,-2.6 4,-0.4 -5,-0.2 -1,-0.2 0.898 113.7 45.2 -54.6 -39.3 14.0 -7.8 39.9 46 51 A S H >< S+ 0 0 91 -4,-1.5 3,-0.5 -5,-0.2 -2,-0.2 0.948 119.1 37.0 -69.1 -51.9 13.0 -6.5 36.4 47 52 A I H 3< S+ 0 0 40 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.762 119.4 47.1 -79.3 -26.9 9.6 -4.9 37.2 48 53 A F T 3< 0 0 51 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.412 360.0 360.0 -92.0 0.6 10.5 -3.6 40.7 49 54 A H < 0 0 210 -3,-0.5 -3,-0.1 -4,-0.4 -4,-0.0 -0.247 360.0 360.0 -58.2 360.0 13.8 -2.0 39.6 50 ! 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 51 59 A T 0 0 161 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -2.5 8.2 5.5 45.2 52 60 A M - 0 0 64 1,-0.1 4,-0.0 -4,-0.1 -4,-0.0 -0.454 360.0-100.1 -72.7 132.0 6.6 2.1 45.8 53 61 A Q > - 0 0 54 -2,-0.2 3,-1.7 1,-0.2 -1,-0.1 -0.244 27.6-130.3 -49.9 132.3 3.4 2.0 47.9 54 62 A C T 3 S+ 0 0 132 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.692 103.5 62.6 -61.9 -23.9 4.3 1.0 51.5 55 63 A N T 3 S+ 0 0 20 -21,-0.1 -20,-3.1 -28,-0.1 2,-0.4 0.313 89.0 83.1 -90.7 8.5 1.5 -1.6 51.5 56 64 A I E < +c 35 0A 16 -3,-1.7 2,-0.4 -22,-0.2 -20,-0.2 -0.943 49.7 172.4-110.7 132.6 3.0 -3.7 48.6 57 65 A K E -c 36 0A 109 -22,-1.9 -20,-2.0 -2,-0.4 2,-0.2 -0.988 21.5-139.9-134.6 132.7 5.7 -6.3 49.1 58 66 A S E -c 37 0A 40 -2,-0.4 2,-0.4 -22,-0.2 -20,-0.2 -0.560 11.9-159.8 -87.5 156.0 7.0 -8.7 46.4 59 67 A Y E -c 38 0A 12 -22,-2.6 -20,-1.7 -2,-0.2 2,-0.5 -1.000 15.7-130.4-138.5 130.9 7.8 -12.4 46.9 60 68 A D E -c 39 0A 101 -2,-0.4 2,-0.3 -22,-0.2 -20,-0.2 -0.705 28.4-174.6 -86.1 123.8 10.0 -14.6 44.8 61 69 A I - 0 0 15 -22,-2.6 -20,-0.5 -2,-0.5 29,-0.1 -0.766 35.2 -73.5-114.0 165.7 8.5 -17.9 43.8 62 70 A S - 0 0 62 -2,-0.3 -1,-0.1 1,-0.1 27,-0.1 -0.229 21.0-149.0 -61.0 140.4 9.9 -20.9 41.9 63 71 A D - 0 0 55 2,-0.2 -1,-0.1 26,-0.0 22,-0.1 0.381 45.9-118.6 -80.5 1.5 10.5 -20.8 38.2 64 72 A G + 0 0 14 1,-0.2 -2,-0.1 21,-0.1 20,-0.1 0.564 69.0 137.7 72.2 10.6 9.8 -24.6 38.3 65 73 A V - 0 0 46 2,-0.0 -1,-0.2 4,-0.0 -2,-0.2 -0.811 52.1-129.3 -91.5 114.3 13.2 -25.6 36.9 66 74 A P > - 0 0 74 0, 0.0 3,-1.6 0, 0.0 -1,-0.0 -0.164 29.4 -99.8 -58.7 156.3 14.8 -28.6 38.8 67 75 A E T 3 S+ 0 0 216 1,-0.3 -2,-0.0 0, 0.0 0, 0.0 0.868 116.6 26.7 -48.6 -53.5 18.3 -28.3 40.2 68 76 A G T 3 S+ 0 0 74 2,-0.1 -1,-0.3 0, 0.0 2,-0.3 -0.146 86.6 154.4-107.3 41.8 20.2 -30.1 37.5 69 77 A Y < - 0 0 75 -3,-1.6 2,-0.6 1,-0.0 -4,-0.0 -0.502 29.0-160.2 -79.2 132.9 17.9 -29.6 34.6 70 78 A V - 0 0 126 -2,-0.3 2,-0.1 2,-0.0 -2,-0.1 -0.963 25.0-124.5-110.2 119.0 19.2 -29.7 31.0 71 79 A F - 0 0 102 -2,-0.6 7,-0.0 1,-0.1 6,-0.0 -0.403 7.0-150.8 -66.2 137.8 16.8 -27.9 28.6 72 80 A A - 0 0 78 -2,-0.1 -1,-0.1 2,-0.0 -2,-0.0 0.675 39.9-123.1 -77.0 -22.2 15.6 -29.9 25.6 73 81 A G + 0 0 65 1,-0.2 -2,-0.1 0, 0.0 3,-0.1 0.640 58.0 149.3 87.5 17.0 15.3 -26.6 23.8 74 82 A R > - 0 0 112 1,-0.1 3,-0.9 2,-0.0 2,-0.3 -0.308 54.7 -98.1 -70.4 160.2 11.6 -26.9 22.9 75 83 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.649 110.1 18.1 -77.1 142.6 9.4 -23.8 22.5 76 84 A Q T 3> S+ 0 0 72 -2,-0.3 4,-2.9 -3,-0.1 5,-0.2 0.528 86.2 128.9 72.1 7.3 7.3 -23.0 25.6 77 85 A E H <> S+ 0 0 4 -3,-0.9 4,-2.4 2,-0.2 5,-0.2 0.929 73.8 46.3 -54.9 -49.7 9.7 -25.2 27.7 78 86 A D H > S+ 0 0 79 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.915 113.9 48.7 -59.4 -43.6 10.2 -22.5 30.2 79 87 A I H > S+ 0 0 24 2,-0.2 4,-3.1 1,-0.2 -2,-0.2 0.902 110.9 51.0 -61.3 -45.4 6.5 -21.8 30.4 80 88 A E H X S+ 0 0 19 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.920 111.6 46.1 -59.9 -48.5 5.7 -25.6 30.8 81 89 A L H X S+ 0 0 27 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.912 115.9 46.2 -60.1 -46.3 8.2 -26.0 33.7 82 90 A F H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.2 3,-0.2 0.957 113.6 49.4 -60.3 -49.9 6.9 -22.8 35.4 83 91 A T H < S+ 0 0 13 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.887 108.2 50.5 -60.9 -45.1 3.3 -23.8 34.9 84 92 A R H < S+ 0 0 169 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.843 119.0 38.5 -64.1 -33.8 3.5 -27.4 36.2 85 93 A A H >X S+ 0 0 28 -4,-1.4 4,-2.5 -3,-0.2 3,-1.0 0.757 95.4 89.0 -84.0 -25.8 5.2 -26.3 39.4 86 94 A A H 3X S+ 0 0 1 -4,-2.0 4,-3.1 1,-0.3 5,-0.4 0.732 77.7 58.2 -52.7 -43.1 3.1 -23.1 39.8 87 95 A P H 3> S+ 0 0 55 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.936 118.4 35.3 -49.1 -48.0 0.2 -24.5 41.9 88 96 A E H <> S+ 0 0 87 -3,-1.0 4,-2.4 -4,-0.3 5,-0.2 0.907 117.0 53.4 -72.8 -44.8 2.8 -25.5 44.5 89 97 A S H X S+ 0 0 11 -4,-2.5 4,-1.8 1,-0.2 -3,-0.2 0.918 112.6 43.3 -56.4 -49.8 5.1 -22.5 44.0 90 98 A F H X S+ 0 0 0 -4,-3.1 4,-2.8 2,-0.2 -1,-0.2 0.919 112.0 54.3 -64.0 -44.0 2.3 -19.9 44.5 91 99 A R H X S+ 0 0 114 -4,-1.5 4,-2.3 -5,-0.4 -2,-0.2 0.914 110.9 45.0 -53.7 -50.7 0.9 -21.8 47.5 92 100 A Q H X S+ 0 0 107 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.843 111.2 53.8 -66.1 -37.0 4.2 -21.8 49.3 93 101 A G H X S+ 0 0 9 -4,-1.8 4,-1.7 -5,-0.2 -2,-0.2 0.936 110.6 46.9 -60.3 -47.1 4.8 -18.1 48.4 94 102 A M H X S+ 0 0 7 -4,-2.8 4,-2.7 2,-0.2 5,-0.3 0.872 105.6 58.4 -65.4 -39.3 1.4 -17.3 50.0 95 103 A V H X S+ 0 0 83 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.948 109.3 47.1 -51.0 -48.3 2.2 -19.4 53.0 96 104 A M H X S+ 0 0 105 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.850 111.3 49.0 -62.4 -40.9 5.2 -17.1 53.5 97 105 A A H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 6,-0.3 0.885 111.3 50.0 -70.5 -39.5 3.2 -13.9 53.0 98 106 A V H X S+ 0 0 46 -4,-2.7 4,-2.2 2,-0.2 5,-0.4 0.909 110.4 50.2 -62.3 -44.5 0.5 -14.9 55.4 99 107 A A H < S+ 0 0 82 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.880 114.3 45.2 -62.7 -37.7 3.2 -15.8 58.1 100 108 A E H < S+ 0 0 98 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.875 121.3 35.0 -74.5 -40.8 4.9 -12.4 57.6 101 109 A T H < S- 0 0 52 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.726 94.4-133.7 -85.1 -26.4 1.8 -10.2 57.6 102 110 A G S < S+ 0 0 57 -4,-2.2 -3,-0.1 -5,-0.3 -4,-0.1 0.652 71.4 114.6 72.1 17.7 -0.3 -12.2 60.2 103 111 A R - 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0 0 3 -24,-0.9 3,-2.5 -2,-0.3 2,-0.2 -0.781 43.8-101.5 -79.6 128.9 2.4 -5.5 5.0 377 393 A E T 3 S+ 0 0 126 -2,-0.5 3,-0.4 1,-0.3 8,-0.1 -0.343 107.6 10.3 -50.1 113.9 1.3 -7.1 1.7 378 394 A G T 3 S- 0 0 65 -2,-0.2 -1,-0.3 1,-0.2 3,-0.1 0.427 112.0 -95.9 92.4 -0.7 1.6 -10.9 2.2 379 395 A G S < S+ 0 0 34 -3,-2.5 2,-0.3 1,-0.2 -1,-0.2 0.436 98.8 89.0 76.1 -1.6 2.1 -10.8 6.0 380 396 A V S S- 0 0 62 -3,-0.4 2,-0.2 -4,-0.0 -1,-0.2 -0.928 85.1 -95.6-123.9 152.9 5.9 -11.0 5.8 381 397 A F + 0 0 8 -2,-0.3 2,-0.3 -3,-0.1 -106,-0.2 -0.492 45.2 168.2 -64.7 129.4 8.6 -8.3 5.5 382 398 A T > - 0 0 56 -2,-0.2 4,-2.2 -107,-0.1 5,-0.2 -0.954 42.9-118.7-132.9 153.3 9.8 -7.5 2.0 383 399 A K H > S+ 0 0 95 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.956 114.9 38.9 -51.3 -55.8 12.0 -4.5 1.0 384 400 A S H > S+ 0 0 87 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.875 112.6 55.4 -69.1 -42.6 9.3 -3.1 -1.4 385 401 A G H > S+ 0 0 9 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.921 113.1 42.8 -55.3 -44.6 6.3 -3.9 0.8 386 402 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.885 109.9 55.3 -73.6 -37.6 7.9 -1.9 3.7 387 403 A M H X S+ 0 0 60 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.874 109.0 50.4 -60.2 -37.4 9.1 1.0 1.5 388 404 A S H X S+ 0 0 59 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.910 108.9 49.7 -63.9 -48.7 5.4 1.3 0.4 389 405 A C H X S+ 0 0 2 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.906 110.9 50.5 -57.5 -43.8 4.1 1.3 4.0 390 406 A F H X S+ 0 0 6 -4,-2.5 4,-2.9 2,-0.2 5,-0.4 0.927 112.7 46.1 -60.0 -47.0 6.7 4.0 4.9 391 407 A D H X>S+ 0 0 77 -4,-2.0 4,-2.2 2,-0.2 5,-1.2 0.960 111.6 52.0 -59.0 -52.4 5.6 6.1 1.9 392 408 A Q H X5S+ 0 0 53 -4,-3.0 7,-1.9 3,-0.2 4,-0.7 0.910 120.7 32.8 -45.9 -53.9 1.8 5.6 2.6 393 409 A I H <5S+ 0 0 0 -4,-2.2 -2,-0.2 5,-0.2 -1,-0.2 0.906 126.0 35.1 -79.1 -46.4 2.2 6.7 6.3 394 410 A L H <5S+ 0 0 39 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.770 133.3 16.9 -82.6 -27.2 5.0 9.4 6.2 395 411 A S H <5S+ 0 0 86 -4,-2.2 2,-0.2 -5,-0.4 -3,-0.2 0.550 109.1 69.1-125.3 -16.8 4.4 11.1 2.9 396 412 A Q S >X S+ 0 0 102 1,-0.2 4,-2.0 2,-0.2 3,-0.4 0.832 112.6 69.2 -59.8 -38.2 -2.8 11.0 2.3 398 414 A K H 3> S+ 0 0 84 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.896 99.0 49.6 -45.8 -48.7 -3.2 7.5 4.0 399 415 A G H <> S+ 0 0 0 -7,-1.9 4,-2.2 -3,-0.7 -1,-0.2 0.844 106.3 55.9 -64.4 -34.6 -1.0 8.6 6.9 400 416 A K H X S+ 0 0 132 -4,-0.9 4,-1.7 -3,-0.4 -1,-0.2 0.908 110.4 45.5 -61.1 -42.2 -3.0 11.8 7.4 401 417 A K H X S+ 0 0 97 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.926 111.0 51.9 -68.0 -46.0 -6.2 9.8 7.7 402 418 A L H X S+ 0 0 3 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.878 109.7 49.8 -57.2 -43.7 -4.6 7.3 10.1 403 419 A R H X S+ 0 0 37 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.872 110.1 50.7 -63.6 -40.1 -3.4 10.1 12.4 404 420 A E H X S+ 0 0 127 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.916 111.0 49.1 -60.1 -48.4 -6.9 11.6 12.3 405 421 A N H X S+ 0 0 54 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.895 111.0 50.5 -57.7 -41.3 -8.3 8.2 13.3 406 422 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.870 108.0 51.7 -66.4 -39.8 -5.7 8.0 16.1 407 423 A R H X S+ 0 0 131 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.894 113.0 45.9 -61.8 -43.3 -6.6 11.4 17.5 408 424 A A H X S+ 0 0 58 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.880 112.9 49.1 -67.5 -42.2 -10.2 10.5 17.6 409 425 A L H X S+ 0 0 21 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.922 110.8 50.4 -63.8 -43.5 -9.6 7.1 19.2 410 426 A R H X S+ 0 0 63 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.828 106.8 54.7 -66.1 -34.4 -7.3 8.6 21.9 411 427 A E H X S+ 0 0 90 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.916 109.3 47.1 -64.9 -45.5 -9.9 11.3 22.8 412 428 A T H X S+ 0 0 64 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.922 113.7 49.5 -58.2 -43.9 -12.5 8.6 23.4 413 429 A A H X S+ 0 0 0 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.914 108.4 52.5 -63.4 -45.7 -9.9 6.7 25.4 414 430 A D H < S+ 0 0 66 -4,-2.9 4,-0.4 1,-0.2 3,-0.2 0.851 108.5 50.9 -56.3 -42.6 -9.1 9.8 27.5 415 431 A R H >< S+ 0 0 174 -4,-1.9 3,-0.5 1,-0.2 -1,-0.2 0.831 102.7 59.5 -66.7 -34.6 -12.7 10.3 28.3 416 432 A A H 3< S+ 0 0 3 -4,-1.7 7,-2.0 1,-0.2 8,-1.5 0.839 114.6 36.9 -60.4 -32.1 -13.1 6.7 29.5 417 433 A V T 3< S+ 0 0 26 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.356 102.6 91.3-104.5 2.9 -10.3 7.4 32.1 418 434 A G S X S- 0 0 20 -3,-0.5 3,-2.2 -4,-0.4 6,-0.3 -0.177 98.7 -53.5 -82.5-175.7 -11.3 11.0 33.0 419 435 A P T 3 S+ 0 0 130 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.361 132.9 9.2 -57.2 138.0 -13.8 12.0 35.7 420 436 A K T 3 S+ 0 0 178 1,-0.2 -3,-0.1 -3,-0.1 -2,-0.1 0.530 97.1 148.1 63.4 4.2 -17.1 10.1 35.3 421 437 A G <> - 0 0 5 -3,-2.2 4,-2.1 1,-0.1 -5,-0.2 -0.368 60.8-117.6 -64.4 149.0 -15.3 7.9 32.6 422 438 A S H > S+ 0 0 18 1,-0.2 4,-1.9 2,-0.2 -5,-0.1 0.809 115.8 48.6 -56.2 -34.7 -16.5 4.3 32.3 423 439 A S H > S+ 0 0 1 -7,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.869 108.5 53.1 -75.6 -38.1 -13.0 3.0 33.3 424 440 A T H > S+ 0 0 47 -8,-1.5 4,-1.3 -6,-0.3 -2,-0.2 0.900 112.1 46.3 -58.7 -43.8 -12.8 5.3 36.3 425 441 A E H X S+ 0 0 93 -4,-2.1 4,-1.6 -9,-0.3 -2,-0.2 0.899 110.7 51.6 -67.6 -43.8 -16.2 4.0 37.4 426 442 A N H X S+ 0 0 18 -4,-1.9 4,-1.8 -192,-0.3 -1,-0.2 0.803 105.5 56.6 -62.5 -30.2 -15.1 0.3 36.8 427 443 A F H X S+ 0 0 23 -4,-1.7 4,-2.9 2,-0.2 -1,-0.2 0.867 102.7 53.9 -71.3 -36.1 -12.0 0.9 38.9 428 444 A I H X S+ 0 0 86 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.916 107.9 51.7 -59.6 -45.0 -14.0 2.0 41.9 429 445 A T H X S+ 0 0 60 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.909 111.8 45.8 -57.2 -44.1 -16.0 -1.3 41.5 430 446 A L H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.884 108.8 54.8 -71.0 -38.8 -12.7 -3.3 41.5 431 447 A V H X S+ 0 0 16 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.934 107.9 51.3 -55.8 -43.9 -11.3 -1.3 44.5 432 448 A D H X S+ 0 0 97 -4,-2.3 4,-0.6 1,-0.2 -2,-0.2 0.851 109.5 50.1 -63.1 -35.9 -14.5 -2.3 46.3 433 449 A L H >< S+ 0 0 39 -4,-1.6 3,-0.7 1,-0.2 -1,-0.2 0.923 113.8 42.7 -69.8 -43.3 -13.9 -6.0 45.4 434 450 A V H 3< S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.732 109.9 59.4 -75.8 -21.0 -10.2 -6.1 46.6 435 451 A S H 3< S+ 0 0 23 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.615 80.1 107.0 -78.1 -19.0 -11.1 -4.1 49.7 436 452 A K << - 0 0 121 -3,-0.7 3,-0.1 -4,-0.6 2,-0.0 -0.458 69.9-132.3 -63.4 127.1 -13.6 -6.7 50.9 437 453 A P - 0 0 73 0, 0.0 -435,-0.1 0, 0.0 3,-0.1 -0.360 39.4 -76.2 -75.1 165.6 -12.2 -8.7 53.9 438 454 A K - 0 0 90 -437,-0.2 -312,-0.1 -334,-0.2 -332,-0.1 -0.314 54.0-100.8 -60.5 138.0 -12.4 -12.5 53.8 439 455 A D 0 0 122 -314,-0.5 -1,-0.1 -333,-0.2 -3,-0.0 -0.267 360.0 360.0 -51.4 145.2 -15.8 -14.1 54.5 440 456 A V 0 0 194 -3,-0.1 -1,-0.1 0, 0.0 0, 0.0 -0.202 360.0 360.0 -78.2 360.0 -16.1 -15.4 58.1