==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-AUG-10 3OH1 . COMPND 2 MOLECULE: UDP-SUGAR PYROPHOSPHORYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MAJOR; . AUTHOR A.DICKMANNS,S.DAMEROW,P.NEUMANN,E.-C.SCHULZ,A.LAMERZ,F.ROUTI . 582 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25883.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 399 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 51 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 140 24.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 2 0 0 2 1 1 2 2 1 2 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 4 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 PARALLEL BRIDGES PER LADDER . 8 1 3 2 2 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 . 5 2 1 0 0 0 0 0 0 1 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 3 A N 0 0 152 0, 0.0 2,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -40.5 2.3 19.9 59.6 2 4 A P - 0 0 56 0, 0.0 2,-0.1 0, 0.0 42,-0.1 -0.509 360.0-176.9 -85.9 75.9 1.3 23.3 58.3 3 5 A S > - 0 0 53 -2,-1.7 4,-1.7 1,-0.1 3,-0.4 -0.409 35.8-123.7 -61.7 142.4 1.2 25.6 61.4 4 6 A N H > S+ 0 0 69 1,-0.2 4,-1.1 2,-0.2 28,-0.2 0.777 113.1 57.2 -60.6 -23.2 0.1 29.1 60.6 5 7 A S H > S+ 0 0 88 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.874 106.2 45.7 -73.8 -41.0 3.4 30.2 62.1 6 8 A N H > S+ 0 0 66 -3,-0.4 4,-2.2 1,-0.2 -2,-0.2 0.797 109.9 55.8 -72.9 -29.7 5.6 28.2 59.7 7 9 A L H X S+ 0 0 2 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.778 108.8 46.5 -75.1 -31.3 3.5 29.4 56.7 8 10 A Q H X S+ 0 0 32 -4,-1.1 4,-2.3 -5,-0.2 -2,-0.2 0.842 111.5 52.1 -72.8 -38.5 4.2 33.0 57.6 9 11 A A H X S+ 0 0 57 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.935 112.3 44.9 -65.0 -44.6 7.9 32.3 58.2 10 12 A L H X S+ 0 0 16 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.878 111.3 52.8 -65.6 -41.8 8.1 30.7 54.8 11 13 A R H X S+ 0 0 29 -4,-1.5 4,-0.6 2,-0.2 -1,-0.2 0.900 112.2 46.7 -57.7 -40.4 6.1 33.5 53.2 12 14 A E H >< S+ 0 0 113 -4,-2.3 3,-0.8 1,-0.2 -2,-0.2 0.908 111.7 51.2 -66.3 -43.2 8.6 35.9 54.8 13 15 A E H >< S+ 0 0 81 -4,-2.6 3,-1.7 1,-0.2 7,-0.2 0.909 104.5 55.8 -65.5 -40.5 11.5 33.8 53.6 14 16 A L H 3< S+ 0 0 0 -4,-2.5 7,-3.1 1,-0.3 -1,-0.2 0.658 101.8 58.1 -70.5 -15.0 10.4 33.7 50.0 15 17 A C T << S+ 0 0 60 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.375 85.4 108.1 -92.5 4.1 10.2 37.5 49.8 16 18 A T S X> S- 0 0 61 -3,-1.7 4,-2.6 -4,-0.2 3,-2.5 -0.488 85.7 -79.4 -84.7 154.8 13.9 37.9 50.7 17 19 A P T 34 S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.219 120.2 27.1 -52.9 132.9 16.6 39.0 48.2 18 20 A G T 34 S+ 0 0 39 1,-0.1 47,-0.1 -3,-0.1 -2,-0.0 0.166 125.6 50.9 93.1 -16.2 17.7 36.1 46.1 19 21 A L T <4 S+ 0 0 6 -3,-2.5 -4,-0.1 -6,-0.1 -5,-0.1 0.678 74.0 169.7-111.8 -57.1 14.4 34.4 46.4 20 22 A D < + 0 0 72 -4,-2.6 3,-0.3 -7,-0.2 -5,-0.2 0.845 12.9 150.1 58.4 46.0 12.2 37.3 45.5 21 23 A Q > + 0 0 0 -7,-3.1 3,-1.2 1,-0.2 4,-0.2 -0.103 23.4 126.6-103.0 40.3 8.8 35.7 45.1 22 24 A G G > + 0 0 35 1,-0.3 3,-2.6 2,-0.2 -1,-0.2 0.833 58.3 73.3 -61.0 -35.3 6.8 38.8 46.1 23 25 A H G 3 S+ 0 0 55 -3,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.409 88.2 65.3 -62.6 1.1 4.7 38.6 43.0 24 26 A L G < S+ 0 0 9 -3,-1.2 -1,-0.3 1,-0.1 -2,-0.2 0.623 104.7 41.4 -96.3 -20.7 2.9 35.7 44.5 25 27 A F S X S+ 0 0 15 -3,-2.6 3,-2.0 -4,-0.2 -2,-0.2 0.094 75.3 148.1-118.5 22.9 1.4 37.7 47.4 26 28 A E T 3 S+ 0 0 146 1,-0.3 -3,-0.0 -4,-0.1 -4,-0.0 -0.387 77.3 8.8 -57.7 129.3 0.4 40.8 45.6 27 29 A G T 3 S+ 0 0 82 1,-0.2 -1,-0.3 -2,-0.1 -2,-0.0 0.538 97.3 142.3 79.4 9.8 -2.7 42.2 47.3 28 30 A W < - 0 0 46 -3,-2.0 -1,-0.2 1,-0.1 7,-0.1 -0.455 55.0-101.0 -86.6 154.7 -2.6 39.8 50.3 29 31 A P - 0 0 37 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 -0.278 37.5-107.8 -63.8 158.1 -3.4 40.5 54.0 30 32 A E S S+ 0 0 168 4,-0.1 2,-0.3 5,-0.0 -2,-0.1 0.831 95.7 25.9 -60.9 -38.5 -0.5 41.0 56.4 31 33 A T S S- 0 0 38 1,-0.1 3,-0.5 0, 0.0 4,-0.3 -0.858 84.0-103.3-131.6 166.8 -0.9 37.7 58.2 32 34 A V S > S+ 0 0 0 -2,-0.3 3,-2.1 1,-0.2 8,-0.1 0.843 112.3 54.6 -54.6 -49.7 -2.1 34.2 57.6 33 35 A D T 3 S+ 0 0 115 1,-0.3 -1,-0.2 -29,-0.0 7,-0.1 0.893 104.4 56.7 -56.7 -40.0 -5.4 34.3 59.5 34 36 A E T 3 S+ 0 0 108 -3,-0.5 -1,-0.3 2,-0.0 -2,-0.2 0.592 95.0 92.3 -67.4 -10.7 -6.5 37.3 57.5 35 37 A C S < S- 0 0 10 -3,-2.1 2,-0.1 -4,-0.3 -7,-0.0 -0.505 74.4-128.3 -84.7 156.9 -5.9 35.2 54.4 36 38 A N > - 0 0 81 -2,-0.2 4,-3.1 1,-0.0 5,-0.3 -0.329 31.9 -92.0 -95.8 179.7 -8.7 33.1 52.7 37 39 A E H > S+ 0 0 175 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.874 123.2 54.4 -60.2 -39.0 -8.8 29.5 51.8 38 40 A R H > S+ 0 0 171 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.869 117.5 35.1 -66.2 -37.3 -7.5 30.2 48.2 39 41 A Q H >> S+ 0 0 28 2,-0.2 4,-2.1 -3,-0.2 3,-0.9 0.902 114.3 54.7 -82.8 -47.1 -4.4 32.0 49.5 40 42 A I H 3X S+ 0 0 45 -4,-3.1 4,-1.3 1,-0.3 -2,-0.2 0.776 108.0 54.9 -56.7 -24.0 -3.8 29.9 52.6 41 43 A A H 3X S+ 0 0 46 -4,-1.4 4,-2.0 -5,-0.3 -1,-0.3 0.755 103.7 52.4 -81.0 -27.4 -3.9 27.0 50.1 42 44 A L H < S+ 0 0 60 -4,-2.6 3,-2.0 1,-0.2 -2,-0.2 0.957 107.9 52.9 -68.1 -50.9 5.2 24.7 52.2 48 50 A M H >< S+ 0 0 61 -4,-3.4 3,-2.1 1,-0.3 4,-0.2 0.724 87.3 84.3 -61.9 -20.1 4.4 21.0 51.6 49 51 A F G >X S+ 0 0 2 -4,-1.0 3,-2.2 1,-0.3 4,-1.7 0.786 73.0 77.8 -50.9 -29.9 6.9 21.0 48.7 50 52 A S G <4 S+ 0 0 67 -3,-2.0 6,-0.5 -4,-0.3 5,-0.3 0.790 91.1 50.2 -51.2 -34.9 9.6 20.4 51.3 51 53 A N G <4 S+ 0 0 116 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.402 113.8 45.2 -92.1 8.0 8.7 16.7 51.6 52 54 A M T <4 S+ 0 0 77 -3,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.532 120.6 35.3-109.4 -26.4 8.8 16.2 47.8 53 55 A Y S >< S- 0 0 14 -4,-1.7 3,-2.6 144,-0.0 2,-0.3 -0.997 90.4-103.6-141.1 133.3 12.1 18.1 47.2 54 56 A P T 3 S+ 0 0 72 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.410 109.6 4.3 -64.1 117.5 15.2 18.4 49.3 55 57 A G T 3> S- 0 0 50 -2,-0.3 4,-1.6 -5,-0.3 3,-0.4 0.508 109.3-121.2 88.0 7.6 15.2 21.8 51.0 56 58 A G H <> - 0 0 1 -3,-2.6 4,-2.4 -6,-0.5 3,-0.4 0.008 60.0 -27.6 55.3-159.5 11.8 22.6 49.7 57 59 A V H > S+ 0 0 2 -11,-0.6 4,-2.3 1,-0.3 -1,-0.2 0.795 135.2 56.8 -65.9 -32.8 10.8 25.5 47.5 58 60 A A H > S+ 0 0 7 -3,-0.4 4,-2.0 2,-0.2 -1,-0.3 0.900 110.7 43.2 -63.5 -44.3 13.6 27.8 48.8 59 61 A Q H X S+ 0 0 60 -4,-1.6 4,-2.8 -3,-0.4 -2,-0.2 0.912 110.8 57.0 -69.9 -35.1 16.3 25.3 47.8 60 62 A Y H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.919 107.3 47.9 -58.4 -46.7 14.5 24.7 44.5 61 63 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.933 111.9 48.7 -60.6 -47.2 14.7 28.4 43.6 62 64 A R H X S+ 0 0 104 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.887 110.2 51.6 -61.5 -37.5 18.4 28.6 44.6 63 65 A N H X S+ 0 0 26 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.896 108.9 52.8 -66.1 -39.1 19.1 25.5 42.4 64 66 A G H X S+ 0 0 0 -4,-2.3 4,-3.6 2,-0.2 5,-0.3 0.921 107.2 49.9 -58.2 -49.0 17.2 27.2 39.6 65 67 A H H X S+ 0 0 62 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.966 113.5 47.0 -53.6 -53.6 19.4 30.3 39.9 66 68 A E H X S+ 0 0 108 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.862 116.3 43.3 -59.9 -39.5 22.5 28.2 39.8 67 69 A L H X S+ 0 0 6 -4,-2.4 4,-3.2 2,-0.2 -1,-0.2 0.899 110.3 54.5 -74.7 -40.7 21.3 26.1 36.9 68 70 A L H < S+ 0 0 16 -4,-3.6 -2,-0.2 1,-0.2 4,-0.2 0.873 114.0 43.8 -60.0 -36.8 20.0 29.1 34.9 69 71 A A H >< S+ 0 0 53 -4,-2.3 3,-1.4 -5,-0.3 4,-0.5 0.927 113.4 50.8 -65.3 -50.5 23.5 30.6 35.3 70 72 A R H >< S+ 0 0 135 -4,-2.2 3,-1.1 1,-0.3 -2,-0.2 0.908 110.0 49.9 -56.5 -43.7 25.2 27.3 34.5 71 73 A E T 3< S+ 0 0 55 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.402 96.1 68.1 -86.1 5.0 23.1 26.8 31.3 72 74 A S T < S+ 0 0 74 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.595 100.9 62.0 -87.0 -13.7 23.8 30.3 29.9 73 75 A E S < S- 0 0 139 -3,-1.1 2,-0.7 -4,-0.5 -3,-0.0 -0.146 102.5 -81.4 -97.0-168.5 27.4 29.2 29.5 74 76 A E - 0 0 149 -2,-0.1 2,-0.7 2,-0.0 -2,-0.1 -0.891 34.5-135.9-101.2 110.3 29.1 26.5 27.4 75 77 A V + 0 0 59 -2,-0.7 2,-0.4 -4,-0.1 244,-0.1 -0.539 42.0 169.6 -60.5 108.7 29.0 23.0 29.0 76 78 A D - 0 0 47 -2,-0.7 2,-0.2 246,-0.0 -2,-0.0 -0.993 26.5-152.8-133.1 131.1 32.5 22.0 28.4 77 79 A F - 0 0 34 -2,-0.4 223,-0.3 1,-0.1 224,-0.2 -0.625 17.6-137.6 -90.5 156.8 34.5 19.1 29.7 78 80 A A S S+ 0 0 36 221,-2.8 2,-0.3 222,-0.5 222,-0.2 0.770 91.1 22.4 -79.0 -29.7 38.3 19.2 30.0 79 81 A A E +A 299 0A 17 220,-2.0 220,-1.1 2,-0.0 2,-0.4 -0.993 61.0 176.9-146.7 136.9 38.5 15.7 28.6 80 82 A L E +A 298 0A 34 -2,-0.3 2,-0.3 218,-0.2 218,-0.2 -1.000 20.5 140.0-139.3 136.2 36.4 13.4 26.4 81 83 A E E -A 297 0A 84 216,-1.6 216,-3.2 -2,-0.4 -2,-0.0 -0.995 53.5 -59.5-169.9 162.8 37.2 10.0 25.2 82 84 A M - 0 0 57 -2,-0.3 214,-0.1 214,-0.2 247,-0.1 -0.263 60.6-109.5 -52.5 131.1 36.1 6.4 24.4 83 85 A P - 0 0 3 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.422 24.4-133.9 -59.9 142.8 34.8 4.7 27.5 84 86 A P S S+ 0 0 65 0, 0.0 2,-1.3 0, 0.0 311,-0.1 0.956 91.0 57.4 -63.8 -51.3 37.3 2.1 28.5 85 87 A L + 0 0 40 309,-0.5 311,-1.9 2,-0.0 2,-0.4 -0.635 67.1 146.3 -94.1 87.5 34.9 -0.8 29.2 86 88 A I E -b 396 0A 47 -2,-1.3 2,-0.4 309,-0.2 311,-0.2 -0.972 24.8-166.5-119.6 135.4 32.9 -1.4 26.0 87 89 A F E -b 397 0A 36 309,-2.7 311,-3.3 -2,-0.4 2,-0.5 -0.984 16.0-136.5-131.2 135.2 31.8 -4.9 25.0 88 90 A E E -b 398 0A 140 -2,-0.4 311,-0.2 309,-0.2 309,-0.0 -0.742 19.5-144.5 -84.5 122.5 30.4 -6.1 21.7 89 91 A A - 0 0 13 309,-2.7 3,-0.1 -2,-0.5 2,-0.1 -0.658 22.6-114.0 -81.8 144.7 27.4 -8.5 22.1 90 92 A P - 0 0 21 0, 0.0 310,-0.2 0, 0.0 -1,-0.1 -0.387 49.9 -72.9 -70.2 159.7 27.2 -11.3 19.6 91 93 A S > - 0 0 17 1,-0.1 3,-0.7 308,-0.1 5,-0.2 -0.144 28.3-139.8 -56.0 141.5 24.3 -11.3 17.1 92 94 A L T 3 S+ 0 0 4 1,-0.2 -1,-0.1 -3,-0.1 352,-0.1 0.543 100.6 55.4 -73.7 -7.9 20.8 -12.1 18.3 93 95 A H T 3 S+ 0 0 57 1,-0.1 2,-0.4 350,-0.1 -1,-0.2 0.261 91.6 72.4-115.7 16.1 20.3 -14.1 15.1 94 96 A R S < S- 0 0 151 -3,-0.7 2,-2.1 351,-0.0 5,-0.2 -0.980 70.3-142.1-130.5 120.8 23.1 -16.6 15.1 95 97 A R + 0 0 101 349,-0.5 2,-0.1 -2,-0.4 -3,-0.1 -0.471 41.7 161.0 -83.9 73.6 23.1 -19.5 17.5 96 98 A T > - 0 0 60 -2,-2.1 4,-2.3 -5,-0.2 5,-0.2 -0.380 55.9-106.0 -85.5 167.9 26.9 -19.5 18.2 97 99 A A H > S+ 0 0 90 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.895 122.2 50.1 -61.0 -37.0 28.5 -21.2 21.2 98 100 A E H > S+ 0 0 98 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.960 109.4 48.4 -66.7 -47.3 29.0 -17.7 22.7 99 101 A R H > S+ 0 0 2 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.921 113.2 48.5 -61.1 -45.5 25.5 -16.6 22.2 100 102 A T H X S+ 0 0 38 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.909 112.6 48.8 -56.0 -47.1 24.2 -19.8 23.8 101 103 A A H X S+ 0 0 57 -4,-2.2 4,-2.2 -5,-0.2 5,-0.2 0.923 114.1 45.5 -64.4 -41.9 26.6 -19.4 26.7 102 104 A L H X S+ 0 0 6 -4,-3.2 4,-2.8 1,-0.2 5,-0.3 0.953 113.2 48.6 -70.3 -45.5 25.6 -15.8 27.2 103 105 A E H X S+ 0 0 6 -4,-3.4 4,-2.7 -5,-0.2 -2,-0.2 0.906 113.2 49.1 -58.7 -39.2 21.8 -16.4 27.0 104 106 A N H X S+ 0 0 73 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.942 115.0 41.7 -68.7 -47.1 22.1 -19.3 29.4 105 107 A A H X S+ 0 0 49 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.890 118.2 47.1 -63.2 -38.7 24.1 -17.5 32.0 106 108 A G H X S+ 0 0 0 -4,-2.8 4,-1.5 -5,-0.2 -2,-0.2 0.915 109.2 53.7 -73.9 -39.5 21.9 -14.3 31.6 107 109 A T H < S+ 0 0 33 -4,-2.7 4,-0.4 -5,-0.3 -1,-0.2 0.884 109.0 48.7 -61.9 -40.1 18.7 -16.3 31.8 108 110 A A H >< S+ 0 0 66 -4,-1.8 3,-1.5 1,-0.2 4,-0.3 0.918 108.7 54.3 -63.3 -42.8 19.8 -17.8 35.1 109 111 A M H >< S+ 0 0 48 -4,-2.0 3,-2.2 1,-0.3 -2,-0.2 0.817 92.6 72.9 -61.6 -25.5 20.7 -14.4 36.4 110 112 A L G >< S+ 0 0 0 -4,-1.5 3,-1.2 1,-0.3 -1,-0.3 0.753 84.5 67.6 -59.2 -26.7 17.1 -13.2 35.5 111 113 A C G < S+ 0 0 75 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.667 105.8 41.2 -64.8 -18.9 15.9 -15.2 38.5 112 114 A K G < S+ 0 0 89 -3,-2.2 137,-2.6 -4,-0.3 138,-2.1 -0.105 92.8 113.1-123.8 37.4 17.7 -12.7 40.7 113 115 A T E < -c 250 0A 0 -3,-1.2 2,-0.4 136,-0.2 138,-0.2 -0.903 53.8-147.6-115.9 130.0 16.8 -9.5 39.0 114 116 A V E -c 251 0A 0 136,-3.4 138,-2.6 -2,-0.4 2,-0.4 -0.829 23.6-147.1 -85.6 134.3 14.7 -6.6 40.1 115 117 A F E -cd 252 163A 3 47,-2.1 49,-2.8 -2,-0.4 2,-0.4 -0.907 13.1-169.0-107.4 140.1 12.9 -4.9 37.2 116 118 A V E -cd 253 164A 0 136,-2.7 138,-3.1 -2,-0.4 2,-0.6 -0.981 2.4-167.9-132.1 119.6 12.1 -1.2 36.9 117 119 A L E -cd 254 165A 0 47,-3.2 49,-2.7 -2,-0.4 2,-0.8 -0.918 11.6-150.5-107.6 116.9 9.8 0.3 34.3 118 120 A V E + d 0 166A 11 136,-2.3 138,-0.4 -2,-0.6 49,-0.1 -0.780 32.3 153.8 -87.0 115.1 9.7 4.1 33.9 119 121 A A + 0 0 4 47,-2.6 49,-0.4 -2,-0.8 14,-0.1 -0.308 34.3 103.4-141.4 46.5 6.3 4.9 32.6 120 122 A G + 0 0 7 47,-0.3 51,-0.3 2,-0.1 50,-0.2 0.576 54.6 109.8-102.0 -17.0 5.6 8.5 33.8 121 123 A G S S- 0 0 41 1,-0.1 11,-0.5 -3,-0.1 2,-0.1 -0.268 71.2-112.0 -66.8 146.4 6.1 10.1 30.4 122 124 A L - 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0 0 101 -4,-2.1 -3,-0.2 1,-0.2 -4,-0.1 0.766 69.3 -67.1 65.5 23.8 19.4 9.4 48.8 352 378 A G T 3 - 0 0 43 -24,-0.4 3,-1.3 -2,-0.3 4,-0.2 -0.934 14.3-137.1-119.1 135.4 17.8 11.9 33.9 380 406 A M G > S+ 0 0 0 -2,-0.4 3,-1.2 1,-0.3 -1,-0.1 0.814 103.2 58.4 -67.3 -29.7 17.8 8.4 35.4 381 407 A Q G > S+ 0 0 16 1,-0.2 3,-2.2 2,-0.1 -1,-0.3 0.710 84.5 81.5 -71.4 -17.9 21.0 7.5 33.6 382 408 A D G X + 0 0 24 -3,-1.3 3,-2.0 1,-0.3 4,-0.3 0.595 65.2 87.7 -66.6 -7.2 22.8 10.4 35.4 383 409 A I G X S+ 0 0 0 -3,-1.2 3,-1.4 1,-0.3 -1,-0.3 0.740 72.2 77.7 -57.1 -18.4 23.1 8.1 38.4 384 410 A A G X S+ 0 0 0 -3,-2.2 3,-1.2 1,-0.3 -1,-0.3 0.696 78.7 68.9 -63.3 -20.0 26.3 7.1 36.6 385 411 A L G < S+ 0 0 55 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.755 92.1 58.5 -71.2 -25.1 27.9 10.3 37.8 386 412 A L G < S+ 0 0 39 -3,-1.4 2,-0.8 -4,-0.3 -1,-0.3 0.407 87.5 86.3 -84.8 1.7 27.9 8.9 41.3 387 413 A F S < S- 0 0 2 -3,-1.2 -79,-0.4 -79,-0.2 -1,-0.1 -0.746 70.1-157.6-108.0 87.2 30.0 5.9 40.3 388 414 A S >> - 0 0 41 -2,-0.8 4,-1.2 1,-0.1 3,-1.2 -0.302 24.6-124.8 -66.2 143.5 33.7 6.9 40.5 389 415 A E T 34 S+ 0 0 72 -83,-0.9 -1,-0.1 1,-0.2 -82,-0.1 0.600 104.6 74.0 -58.7 -12.2 36.2 5.0 38.4 390 416 A D T 34 S+ 0 0 141 1,-0.2 -1,-0.2 3,-0.0 3,-0.1 0.859 117.4 6.7 -71.9 -36.8 38.0 4.4 41.7 391 417 A D T <4 S+ 0 0 105 -3,-1.2 2,-0.3 1,-0.1 -2,-0.2 0.275 122.0 62.7-134.5 8.9 35.7 1.9 43.2 392 418 A Y < - 0 0 27 -4,-1.2 2,-0.6 -5,-0.1 -1,-0.1 -0.998 62.0-140.3-143.8 145.2 33.2 1.1 40.4 393 419 A R + 0 0 102 -2,-0.3 -115,-2.3 -117,-0.2 -114,-2.0 -0.914 23.9 177.8-108.6 114.4 33.2 -0.4 36.9 394 420 A V E + h 0 279A 9 -2,-0.6 -309,-0.5 -116,-0.2 2,-0.2 -0.975 16.4 141.2-118.7 121.6 30.9 1.3 34.4 395 421 A G E - h 0 280A 0 -116,-2.5 -114,-2.9 -2,-0.5 2,-0.3 -0.696 37.5-117.8-140.8-169.9 30.7 0.2 30.9 396 422 A G E -bh 86 281A 0 -311,-1.9 -309,-2.7 -116,-0.3 2,-0.5 -0.981 8.8-143.3-138.3 150.2 28.4 -0.4 27.9 397 423 A T E -bh 87 282A 0 -116,-2.2 -114,-2.9 -2,-0.3 2,-0.5 -0.973 21.0-140.9-111.2 127.3 27.4 -3.4 25.8 398 424 A V E -bh 88 283A 10 -311,-3.3 -309,-2.7 -2,-0.5 -114,-0.2 -0.808 23.2-179.8 -97.1 122.4 26.9 -2.8 22.1 399 425 A F - 0 0 10 -116,-2.9 -308,-0.1 -2,-0.5 2,-0.1 -0.655 39.8 -78.2-111.3 168.3 24.0 -4.5 20.4 400 426 A E > - 0 0 53 -2,-0.2 3,-1.6 -310,-0.2 4,-0.2 -0.366 39.8-122.8 -64.8 146.1 22.7 -4.5 16.8 401 427 A R G > S+ 0 0 56 1,-0.3 3,-2.3 2,-0.2 -1,-0.1 0.881 108.0 68.9 -59.8 -34.9 20.7 -1.4 16.0 402 428 A F G 3 S+ 0 0 46 1,-0.3 -1,-0.3 3,-0.1 35,-0.1 0.736 87.6 63.9 -56.7 -27.3 17.8 -3.7 15.0 403 429 A S G < S+ 0 0 4 -3,-1.6 2,-0.7 1,-0.1 -1,-0.3 0.466 86.4 84.3 -78.3 -1.7 17.3 -4.7 18.7 404 430 A Y < + 0 0 27 -3,-2.3 -1,-0.1 -4,-0.2 -146,-0.0 -0.902 53.1 158.4-104.6 109.8 16.4 -1.1 19.5 405 431 A Q + 0 0 9 -2,-0.7 -146,-0.6 2,-0.0 -1,-0.1 -0.309 6.4 164.6-134.7 51.1 12.7 -0.6 18.7 406 432 A P B -Q 258 0G 5 0, 0.0 2,-0.8 0, 0.0 3,-0.2 -0.362 35.9-137.5 -73.1 154.4 11.1 2.3 20.5 407 433 A V + 0 0 5 -150,-0.5 19,-0.2 1,-0.2 18,-0.1 -0.891 54.6 134.9-108.4 92.9 7.7 3.8 19.4 408 434 A K + 0 0 77 17,-2.3 2,-0.3 -2,-0.8 18,-0.2 0.700 46.5 63.7-112.9 -39.6 8.7 7.5 19.8 409 435 A N B -t 426 0J 14 16,-2.6 18,-0.6 15,-0.3 -283,-0.2 -0.776 69.9-122.5-109.5 144.1 7.4 9.3 16.7 410 436 A S > - 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