==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-APR-05 1ZHA . COMPND 2 MOLECULE: 2-DEHYDRO-3-DEOXYPHOSPHOOCTONATE ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR X.XU,F.KONA,J.WANG,J.LU,T.STEMMLER,D.L.GATTI . 511 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20640.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 371 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 88 17.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.2 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 34 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 153 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 4 0 0 1 2 1 2 0 0 0 3 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 6 6 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 . 0 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 0 0 0 2 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 1002 A E 0 0 186 0, 0.0 2,-0.2 0, 0.0 33,-0.0 0.000 360.0 360.0 360.0 150.1 9.2 48.0 30.5 2 1003 A K - 0 0 107 1,-0.1 2,-0.2 33,-0.1 33,-0.2 -0.452 360.0-124.6 -65.4 125.9 11.7 50.5 31.9 3 1004 A F E -a 35 0A 3 31,-1.2 33,-3.0 -2,-0.2 2,-0.5 -0.514 21.7-133.8 -74.4 137.8 13.6 52.2 29.0 4 1005 A L E -ab 36 211A 4 206,-2.0 208,-2.3 -2,-0.2 2,-0.5 -0.790 19.1-173.0 -98.6 130.4 17.4 51.9 29.2 5 1006 A V E -ab 37 212A 0 31,-2.4 33,-2.3 -2,-0.5 2,-0.6 -0.961 3.4-169.4-122.5 112.5 19.7 54.9 28.5 6 1007 A I E +ab 38 213A 1 206,-2.9 208,-2.9 -2,-0.5 2,-0.3 -0.903 25.0 153.4-100.6 119.3 23.4 54.1 28.4 7 1008 A A E +ab 39 214A 2 31,-2.2 33,-2.4 -2,-0.6 208,-0.2 -0.984 2.9 103.2-148.4 159.3 25.5 57.3 28.4 8 1009 A G E - b 0 215A 1 206,-1.1 208,-1.6 -2,-0.3 2,-0.1 -0.863 67.4 -42.5 153.1 174.7 28.8 58.7 29.3 9 1010 A P - 0 0 0 0, 0.0 33,-0.4 0, 0.0 208,-0.1 -0.453 50.2-123.9 -70.3 138.2 32.2 59.9 27.9 10 1011 A C S S+ 0 0 0 215,-0.2 32,-2.1 31,-0.2 2,-0.3 0.896 92.4 21.0 -45.8 -52.0 33.7 57.7 25.3 11 1012 A A B S-i 42 0B 0 30,-0.2 2,-2.0 214,-0.2 3,-0.2 -0.876 81.8-112.3-124.1 154.6 36.9 57.3 27.2 12 1013 A I + 0 0 2 30,-2.2 45,-0.3 -2,-0.3 3,-0.1 -0.572 43.7 166.6 -82.4 76.8 38.0 57.7 30.9 13 1014 A E - 0 0 30 -2,-2.0 2,-0.3 1,-0.2 -1,-0.2 0.812 69.9 -21.9 -62.9 -29.6 40.2 60.7 30.2 14 1015 A S > - 0 0 32 -3,-0.2 4,-1.6 1,-0.1 -1,-0.2 -0.949 60.1-110.1-172.7 158.9 40.3 61.3 33.9 15 1016 A E H > S+ 0 0 38 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.798 118.2 60.1 -68.6 -25.6 38.3 60.5 37.1 16 1017 A E H > S+ 0 0 157 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.917 101.7 50.0 -67.0 -45.9 37.4 64.2 37.2 17 1018 A L H > S+ 0 0 13 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.912 109.2 53.9 -58.5 -44.2 35.6 64.1 33.8 18 1019 A L H X S+ 0 0 0 -4,-1.6 4,-3.2 1,-0.2 -1,-0.2 0.906 107.8 48.0 -58.3 -45.5 33.7 61.0 34.9 19 1020 A L H X S+ 0 0 40 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.848 110.3 53.4 -65.6 -33.9 32.3 62.7 38.0 20 1021 A K H X S+ 0 0 114 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.944 116.2 37.1 -66.1 -48.7 31.3 65.8 36.0 21 1022 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.904 114.7 57.1 -69.9 -40.0 29.3 63.7 33.5 22 1023 A G H X S+ 0 0 0 -4,-3.2 4,-2.7 -5,-0.3 -2,-0.2 0.877 101.5 56.5 -57.8 -38.9 28.1 61.4 36.3 23 1024 A E H X S+ 0 0 126 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.920 109.3 45.4 -59.7 -45.2 26.7 64.4 38.2 24 1025 A E H X S+ 0 0 35 -4,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.892 112.5 50.5 -66.6 -40.2 24.5 65.3 35.2 25 1026 A I H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.904 108.7 52.7 -65.5 -38.9 23.4 61.7 34.6 26 1027 A K H X S+ 0 0 64 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.923 108.1 51.2 -60.9 -43.8 22.5 61.4 38.2 27 1028 A R H X S+ 0 0 113 -4,-2.0 4,-1.1 1,-0.2 3,-0.3 0.904 110.9 47.9 -60.9 -41.6 20.4 64.6 37.9 28 1029 A L H X S+ 0 0 0 -4,-2.1 4,-3.4 1,-0.2 -1,-0.2 0.839 105.2 58.6 -70.1 -31.0 18.6 63.2 34.9 29 1030 A S H < S+ 0 0 25 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.811 104.5 52.3 -67.5 -28.0 17.9 59.9 36.6 30 1031 A E H < S+ 0 0 99 -4,-1.3 3,-0.3 -3,-0.3 -1,-0.2 0.803 117.1 38.5 -75.9 -30.3 16.0 61.8 39.3 31 1032 A K H < S+ 0 0 112 -4,-1.1 2,-1.8 1,-0.2 -2,-0.2 0.945 115.6 49.1 -82.7 -57.4 13.9 63.5 36.7 32 1033 A F >< + 0 0 5 -4,-3.4 3,-1.6 1,-0.2 -1,-0.2 -0.551 65.0 163.5 -86.3 75.0 13.4 60.6 34.2 33 1034 A K T 3 + 0 0 135 -2,-1.8 -1,-0.2 -3,-0.3 -4,-0.1 0.668 69.5 65.0 -67.0 -18.0 12.3 58.0 36.7 34 1035 A E T 3 S+ 0 0 93 -3,-0.2 -31,-1.2 -32,-0.1 2,-0.4 0.437 94.1 81.2 -84.5 2.7 10.8 55.8 34.0 35 1036 A V E < S-a 3 0A 5 -3,-1.6 2,-0.8 -6,-0.2 -31,-0.2 -0.876 70.6-144.6-112.9 141.2 14.4 55.4 32.7 36 1037 A E E -a 4 0A 41 -33,-3.0 -31,-2.4 -2,-0.4 2,-0.3 -0.900 24.7-155.4-102.0 107.5 17.2 53.1 33.8 37 1038 A F E -a 5 0A 14 -2,-0.8 39,-0.8 -33,-0.2 2,-0.4 -0.652 11.5-171.3 -87.1 140.6 20.4 55.0 33.4 38 1039 A V E -ac 6 76A 1 -33,-2.3 -31,-2.2 -2,-0.3 2,-0.4 -0.987 19.6-135.1-132.3 120.9 23.7 53.2 33.0 39 1040 A F E -ac 7 77A 0 37,-3.0 39,-2.3 -2,-0.4 2,-0.4 -0.638 26.2-166.7 -79.5 126.2 27.0 55.1 33.1 40 1041 A K E + c 0 78A 2 -33,-2.4 2,-0.3 -2,-0.4 39,-0.2 -0.922 21.8 142.3-121.8 140.6 29.4 54.2 30.3 41 1042 A S - 0 0 0 37,-1.3 2,-0.4 -2,-0.4 -30,-0.2 -0.848 40.0-122.3-170.9 134.1 33.1 54.9 29.7 42 1043 A S B -i 11 0B 0 -32,-2.1 -30,-2.2 -33,-0.4 3,-0.1 -0.658 4.8-159.7 -85.7 131.0 36.0 52.8 28.3 43 1044 A F S S+ 0 0 4 -2,-0.4 15,-0.8 37,-0.3 14,-0.3 0.638 86.4 23.1 -80.1 -12.2 39.1 52.2 30.4 44 1045 A D - 0 0 17 36,-0.2 2,-1.0 12,-0.1 -1,-0.3 -0.946 59.0-151.0-158.5 132.9 40.8 51.5 27.1 45 1046 A K > + 0 0 31 10,-1.8 3,-0.7 -2,-0.3 11,-0.1 -0.851 26.1 178.7-100.5 93.2 40.4 52.2 23.4 46 1047 A A T 3 + 0 0 3 -2,-1.0 318,-2.0 1,-0.2 319,-0.3 0.484 69.8 41.9 -78.8 -4.9 42.0 49.1 22.0 47 1048 A N T 3 + 0 0 58 316,-0.2 -1,-0.2 317,-0.1 316,-0.1 -0.137 67.2 156.0-138.4 45.0 41.5 49.7 18.3 48 1049 A R < - 0 0 55 -3,-0.7 316,-0.1 1,-0.1 7,-0.0 -0.380 51.0-120.8 -64.5 151.0 42.2 53.4 17.6 49 1050 A S S S+ 0 0 65 2,-0.0 2,-0.3 1,-0.0 -1,-0.1 0.936 94.9 48.6 -60.6 -46.7 43.2 53.8 13.9 50 1051 A S S > S- 0 0 29 1,-0.1 3,-1.4 4,-0.1 -2,-0.1 -0.740 73.9-137.5-102.4 145.9 46.6 55.3 14.8 51 1052 A I T 3 S+ 0 0 28 -2,-0.3 -1,-0.1 1,-0.3 4,-0.1 0.674 106.4 59.4 -67.8 -17.6 49.2 54.0 17.3 52 1053 A H T 3 S+ 0 0 136 2,-0.1 -1,-0.3 3,-0.0 2,-0.1 0.481 84.4 102.1 -91.9 -3.6 49.6 57.6 18.4 53 1054 A S S < S- 0 0 40 -3,-1.4 2,-0.1 1,-0.1 -5,-0.1 -0.374 84.7 -84.8 -80.9 160.6 46.0 58.2 19.5 54 1055 A F + 0 0 47 170,-0.5 -1,-0.1 1,-0.2 -4,-0.1 -0.391 44.5 170.2 -65.2 133.8 44.8 58.2 23.1 55 1056 A R - 0 0 52 1,-0.3 -10,-1.8 -2,-0.1 2,-0.3 0.747 45.7 -98.5-111.2 -45.2 44.0 54.7 24.5 56 1057 A G - 0 0 25 -12,-0.2 -1,-0.3 -45,-0.1 -12,-0.1 -0.939 31.1 -77.3 151.0-171.5 43.4 55.3 28.2 57 1058 A H S S- 0 0 100 -14,-0.3 4,-0.4 1,-0.3 -13,-0.1 0.179 80.4 -86.5-110.5 16.3 45.1 55.1 31.7 58 1059 A G > - 0 0 36 -15,-0.8 4,-2.2 2,-0.1 -1,-0.3 -0.057 38.8 -82.7 99.4 158.5 44.8 51.4 32.2 59 1060 A L H > S+ 0 0 32 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.926 123.3 53.1 -63.6 -49.4 42.3 48.9 33.6 60 1061 A E H > S+ 0 0 171 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.935 113.2 43.2 -53.2 -52.0 43.2 49.4 37.2 61 1062 A Y H > S+ 0 0 82 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.913 115.1 51.2 -60.6 -45.6 42.8 53.2 37.0 62 1063 A G H X S+ 0 0 1 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.923 109.5 46.6 -59.5 -50.7 39.6 52.8 35.0 63 1064 A V H X S+ 0 0 12 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.889 112.9 52.4 -59.9 -39.6 37.8 50.4 37.3 64 1065 A K H X S+ 0 0 123 -4,-1.9 4,-1.6 -5,-0.3 -1,-0.2 0.909 111.1 45.9 -62.8 -43.8 38.8 52.6 40.2 65 1066 A A H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.901 113.0 49.6 -66.9 -42.5 37.3 55.7 38.5 66 1067 A L H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.876 108.5 53.7 -64.7 -37.1 34.1 53.9 37.5 67 1068 A R H X S+ 0 0 104 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.884 104.7 55.0 -64.6 -37.2 33.8 52.6 41.1 68 1069 A K H X S+ 0 0 66 -4,-1.6 4,-2.4 1,-0.2 5,-0.2 0.873 107.4 50.4 -62.8 -37.4 34.0 56.2 42.3 69 1070 A V H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 6,-0.5 0.929 112.4 45.5 -66.7 -45.7 31.1 57.1 40.0 70 1071 A K H X S+ 0 0 58 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.892 115.8 47.1 -64.7 -40.3 28.9 54.3 41.3 71 1072 A E H < S+ 0 0 139 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.903 118.0 40.3 -68.3 -42.8 29.8 55.1 44.9 72 1073 A E H < S+ 0 0 94 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.859 132.6 21.3 -76.9 -36.4 29.2 58.8 44.6 73 1074 A F H < S- 0 0 23 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.514 91.7-127.9-112.2 -7.0 26.1 58.7 42.4 74 1075 A G < + 0 0 60 -4,-1.9 2,-0.3 -5,-0.4 -4,-0.2 0.839 56.9 151.1 63.1 32.0 24.6 55.2 42.9 75 1076 A L - 0 0 9 -6,-0.5 -1,-0.2 1,-0.1 -37,-0.1 -0.694 50.4-109.9 -98.3 150.0 24.5 54.7 39.2 76 1077 A K E -c 38 0A 87 -39,-0.8 -37,-3.0 -2,-0.3 2,-0.3 -0.397 38.3-141.2 -71.4 155.0 24.8 51.4 37.3 77 1078 A I E +c 39 0A 0 16,-0.3 18,-2.1 -39,-0.2 19,-1.9 -0.923 21.7 178.1-126.5 146.4 28.1 51.0 35.3 78 1079 A T E +cd 40 96A 0 -39,-2.3 -37,-1.3 -2,-0.3 2,-0.3 -0.997 9.0 158.2-144.0 142.0 29.1 49.5 32.0 79 1080 A T E - d 0 97A 0 17,-1.0 19,-2.6 -2,-0.3 2,-0.3 -0.964 35.7-105.6-155.0 160.0 32.5 49.3 30.2 80 1081 A D E - d 0 98A 11 -2,-0.3 -37,-0.3 17,-0.2 2,-0.3 -0.656 20.3-148.5 -98.4 149.4 34.0 47.1 27.5 81 1082 A I - 0 0 0 17,-1.9 3,-0.1 -2,-0.3 32,-0.0 -0.833 8.6-171.2-111.1 154.0 36.5 44.3 27.7 82 1083 A H S S+ 0 0 14 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.581 70.5 28.2-120.5 -17.8 39.0 43.3 25.0 83 1084 A E S > S- 0 0 24 26,-0.1 3,-1.9 1,-0.1 4,-0.5 -0.982 83.4-107.3-145.2 150.5 40.5 40.0 26.2 84 1085 A S G > S+ 0 0 30 -2,-0.3 3,-1.5 1,-0.3 4,-0.4 0.821 112.3 61.2 -46.3 -44.9 39.2 37.2 28.4 85 1086 A W G 3 S+ 0 0 146 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.715 95.0 63.8 -60.1 -22.1 41.3 38.0 31.4 86 1087 A Q G <> S+ 0 0 12 -3,-1.9 4,-2.2 1,-0.2 -1,-0.3 0.711 83.1 78.4 -76.8 -18.9 39.7 41.4 31.8 87 1088 A A H <> S+ 0 0 3 -3,-1.5 4,-2.4 -4,-0.5 -1,-0.2 0.901 91.6 49.3 -56.7 -47.3 36.2 40.0 32.4 88 1089 A E H > S+ 0 0 151 -4,-0.4 4,-0.6 -3,-0.3 -1,-0.2 0.969 114.7 40.2 -61.5 -58.2 36.8 39.1 36.1 89 1090 A P H >4 S+ 0 0 35 0, 0.0 3,-1.1 0, 0.0 4,-0.3 0.921 117.5 50.2 -59.3 -40.7 38.3 42.4 37.4 90 1091 A V H >X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.3 3,-1.9 0.886 100.4 63.6 -63.3 -38.7 35.8 44.4 35.3 91 1092 A A H 3< S+ 0 0 13 -4,-2.4 -1,-0.3 1,-0.3 -3,-0.1 0.680 86.7 75.5 -60.5 -17.0 32.9 42.5 36.6 92 1093 A E T << S+ 0 0 130 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.815 118.0 10.4 -66.3 -28.2 33.7 43.8 40.1 93 1094 A V T <4 S+ 0 0 2 -3,-1.9 2,-0.4 -4,-0.3 -16,-0.3 0.677 108.5 91.0-119.5 -31.6 32.3 47.2 39.2 94 1095 A A < - 0 0 0 -4,-2.8 -16,-0.2 1,-0.2 3,-0.1 -0.553 45.8-171.2 -77.8 123.3 30.5 46.8 35.9 95 1096 A D S S+ 0 0 35 -18,-2.1 24,-1.8 -2,-0.4 2,-0.4 0.789 86.2 32.5 -77.0 -31.5 26.8 45.9 36.0 96 1097 A I E S-de 78 119A 4 -19,-1.9 -17,-1.0 22,-0.2 2,-0.6 -0.994 78.4-147.4-128.9 124.9 26.8 45.3 32.3 97 1098 A I E -de 79 120A 0 22,-3.1 24,-2.5 -2,-0.4 2,-0.4 -0.830 17.7-146.0 -93.9 123.8 29.9 44.0 30.5 98 1099 A Q E -de 80 121A 5 -19,-2.6 -17,-1.9 -2,-0.6 24,-0.2 -0.738 4.1-152.9 -93.8 136.1 30.2 45.4 26.9 99 1100 A I E - e 0 122A 0 22,-2.8 24,-2.5 -2,-0.4 5,-0.1 -0.934 25.9-118.9-107.5 119.5 31.6 43.3 24.1 100 1101 A P > - 0 0 10 0, 0.0 3,-0.9 0, 0.0 4,-0.4 -0.163 19.6-117.6 -56.5 149.1 33.2 45.4 21.2 101 1102 A A G > S+ 0 0 8 1,-0.3 3,-1.2 2,-0.2 24,-0.2 0.879 114.2 51.5 -54.6 -46.5 31.8 45.2 17.7 102 1103 A F G 3 S+ 0 0 32 1,-0.2 3,-0.3 23,-0.1 -1,-0.3 0.744 114.7 45.7 -66.0 -19.9 34.9 43.8 16.2 103 1104 A L G X S+ 0 0 4 -3,-0.9 3,-1.9 1,-0.2 -1,-0.2 0.325 74.0 112.2-105.8 7.4 35.0 41.1 18.9 104 1105 A C T < S+ 0 0 2 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.1 0.596 82.8 46.3 -58.2 -12.7 31.3 40.0 18.8 105 1106 A G T 3 S+ 0 0 13 -3,-0.3 2,-1.1 -4,-0.1 -1,-0.3 0.480 77.4 115.2-108.6 -4.1 32.3 36.6 17.5 106 1107 A Q X> - 0 0 15 -3,-1.9 4,-2.0 1,-0.2 3,-0.5 -0.546 51.4-160.4 -72.7 99.9 35.2 35.8 19.8 107 1108 A T H 3> S+ 0 0 3 196,-2.1 4,-2.5 -2,-1.1 5,-0.2 0.845 85.0 50.6 -48.5 -48.0 33.9 32.8 21.7 108 1109 A D H 3> S+ 0 0 58 195,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.864 109.6 50.2 -63.0 -37.8 36.3 33.0 24.6 109 1110 A L H <> S+ 0 0 4 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.917 112.4 47.7 -66.9 -42.9 35.5 36.6 25.3 110 1111 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.918 113.2 47.9 -62.3 -45.9 31.8 36.0 25.2 111 1112 A L H X S+ 0 0 33 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.870 109.4 54.1 -62.9 -39.1 32.2 33.0 27.6 112 1113 A A H < S+ 0 0 13 -4,-2.2 4,-0.3 2,-0.2 -1,-0.2 0.899 111.6 43.9 -63.8 -42.1 34.4 35.0 29.9 113 1114 A A H ><>S+ 0 0 0 -4,-2.0 3,-1.4 1,-0.2 5,-0.5 0.929 111.1 55.8 -68.5 -44.6 31.8 37.8 30.3 114 1115 A A H ><5S+ 0 0 1 -4,-2.5 3,-1.2 1,-0.3 -2,-0.2 0.848 101.0 55.5 -57.5 -41.3 28.9 35.3 30.6 115 1116 A K T 3<5S+ 0 0 157 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.509 90.6 75.1 -74.9 -3.8 30.3 33.4 33.6 116 1117 A T T < 5S- 0 0 44 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.714 101.7-125.3 -78.2 -21.0 30.7 36.6 35.7 117 1118 A G T < 5S+ 0 0 50 -3,-1.2 2,-0.1 -4,-0.4 -3,-0.1 0.381 70.4 124.3 91.2 -4.8 26.9 36.6 36.3 118 1119 A R S - 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