==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 15-MAY-02 1LRO . COMPND 2 MOLECULE: KDO-8-PHOSPHATE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR J.WANG,H.S.DUEWEL,J.A.STUCKEY,R.W.WOODARD,D.L.GATTI . 513 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20608.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 367 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 87 17.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.6 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 . 32 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 29.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 0 1 3 0 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 7 3 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 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 0 194 0, 0.0 2,-0.1 0, 0.0 33,-0.0 0.000 360.0 360.0 360.0 148.1 9.2 47.8 30.6 2 1003 A K - 0 0 110 1,-0.1 2,-0.2 33,-0.1 33,-0.2 -0.363 360.0-121.4 -59.8 126.7 11.7 50.4 31.9 3 1004 A F E -a 35 0A 3 31,-1.1 33,-3.3 -2,-0.1 2,-0.4 -0.515 23.9-134.8 -73.6 133.9 13.5 52.1 29.0 4 1005 A L E -ab 36 214A 5 209,-2.0 211,-2.3 -2,-0.2 2,-0.5 -0.743 19.9-174.9 -95.3 133.1 17.3 51.7 29.2 5 1006 A V E -ab 37 215A 0 31,-2.7 33,-2.2 -2,-0.4 2,-0.6 -0.954 3.1-171.3-127.6 110.0 19.6 54.6 28.5 6 1007 A I E +ab 38 216A 0 209,-2.9 211,-3.0 -2,-0.5 2,-0.3 -0.908 24.2 153.6-101.2 120.9 23.3 53.8 28.4 7 1008 A A E +ab 39 217A 2 31,-2.3 33,-2.2 -2,-0.6 211,-0.2 -0.995 2.7 111.3-150.5 154.5 25.4 56.9 28.3 8 1009 A G E - b 0 218A 0 209,-1.3 211,-2.1 -2,-0.3 33,-0.2 -0.904 66.1 -50.2 161.6 173.6 28.8 58.3 29.2 9 1010 A P - 0 0 0 0, 0.0 33,-0.3 0, 0.0 211,-0.1 -0.463 49.9-123.4 -70.7 143.0 32.1 59.5 27.7 10 1011 A C S S+ 0 0 0 218,-0.2 32,-2.0 31,-0.2 2,-0.3 0.924 93.0 23.3 -50.0 -52.4 33.7 57.2 25.2 11 1012 A A B S-i 42 0B 0 30,-0.2 2,-2.2 217,-0.2 3,-0.2 -0.883 82.8-113.9-121.1 150.2 36.9 56.9 27.1 12 1013 A I + 0 0 3 30,-2.5 45,-0.3 -2,-0.3 3,-0.1 -0.567 44.0 167.7 -79.8 79.3 37.9 57.4 30.7 13 1014 A E - 0 0 30 -2,-2.2 2,-0.3 1,-0.3 -1,-0.2 0.805 67.9 -21.3 -64.7 -30.3 40.1 60.4 29.9 14 1015 A S > - 0 0 36 -3,-0.2 4,-1.7 1,-0.1 -1,-0.3 -0.944 60.7-109.8-172.6 157.2 40.2 61.2 33.6 15 1016 A E H > S+ 0 0 40 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.808 119.1 58.7 -66.3 -27.2 38.3 60.5 36.8 16 1017 A E H > S+ 0 0 156 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.890 102.6 51.7 -67.7 -40.4 37.3 64.2 36.8 17 1018 A L H > S+ 0 0 16 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.935 109.8 50.2 -61.1 -46.7 35.7 63.7 33.4 18 1019 A L H X S+ 0 0 0 -4,-1.7 4,-3.1 1,-0.2 -2,-0.2 0.910 109.7 48.9 -59.3 -46.1 33.7 60.8 34.6 19 1020 A L H X S+ 0 0 38 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.857 110.6 51.9 -64.3 -34.4 32.4 62.5 37.8 20 1021 A K H X S+ 0 0 113 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.920 116.0 39.1 -67.9 -44.0 31.3 65.6 35.7 21 1022 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.877 113.9 56.8 -72.0 -37.5 29.3 63.4 33.2 22 1023 A G H X S+ 0 0 0 -4,-3.1 4,-2.4 -5,-0.3 -2,-0.2 0.862 101.9 55.7 -61.7 -36.7 28.2 61.2 36.1 23 1024 A E H X S+ 0 0 130 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.907 110.5 44.5 -63.0 -42.6 26.7 64.2 37.9 24 1025 A E H X S+ 0 0 36 -4,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.896 112.3 51.2 -70.2 -40.6 24.6 65.1 34.9 25 1026 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.901 110.1 50.9 -63.8 -37.8 23.5 61.5 34.3 26 1027 A K H X S+ 0 0 64 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.925 108.6 51.6 -63.9 -43.6 22.5 61.3 37.9 27 1028 A R H X S+ 0 0 112 -4,-2.0 4,-1.2 1,-0.2 3,-0.4 0.925 111.5 47.0 -59.3 -44.2 20.4 64.6 37.6 28 1029 A L H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 -1,-0.2 0.849 106.1 58.3 -67.1 -33.3 18.7 63.1 34.5 29 1030 A S H < S+ 0 0 24 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.799 105.3 51.5 -66.7 -26.9 18.0 59.8 36.4 30 1031 A E H < S+ 0 0 95 -4,-1.4 3,-0.3 -3,-0.4 -1,-0.2 0.806 115.9 40.5 -77.9 -30.8 16.1 61.8 39.0 31 1032 A K H < S+ 0 0 108 -4,-1.2 2,-1.5 1,-0.2 -2,-0.2 0.945 115.5 47.9 -80.6 -55.2 14.0 63.5 36.4 32 1033 A F >< + 0 0 5 -4,-3.1 3,-1.7 1,-0.2 -1,-0.2 -0.589 65.2 164.3 -89.4 76.0 13.3 60.6 34.1 33 1034 A K T 3 S+ 0 0 137 -2,-1.5 -1,-0.2 -3,-0.3 -4,-0.1 0.682 70.2 65.0 -67.3 -17.6 12.3 58.1 36.7 34 1035 A E T 3 S+ 0 0 100 -3,-0.2 -31,-1.1 -32,-0.1 2,-0.4 0.480 93.2 81.1 -83.3 -1.0 10.8 55.8 34.0 35 1036 A V E < S-a 3 0A 5 -3,-1.7 2,-0.7 -33,-0.2 -31,-0.2 -0.846 72.0-142.1-108.9 142.3 14.3 55.3 32.6 36 1037 A E E -a 4 0A 42 -33,-3.3 -31,-2.7 -2,-0.4 2,-0.3 -0.896 25.2-156.2-100.8 112.5 17.0 53.0 33.7 37 1038 A F E -a 5 0A 15 -2,-0.7 39,-0.8 -33,-0.2 2,-0.4 -0.714 12.9-173.7 -93.8 142.2 20.3 54.8 33.4 38 1039 A V E -ac 6 76A 0 -33,-2.2 -31,-2.3 -2,-0.3 2,-0.4 -0.987 20.5-135.3-135.0 120.8 23.6 53.0 33.0 39 1040 A F E -ac 7 77A 0 37,-2.6 39,-1.9 -2,-0.4 2,-0.4 -0.635 26.0-166.3 -79.4 128.6 26.9 55.0 33.0 40 1041 A K E + c 0 78A 2 -33,-2.2 2,-0.3 -2,-0.4 39,-0.2 -0.928 21.7 141.5-122.8 141.9 29.4 53.9 30.3 41 1042 A S - 0 0 0 37,-1.3 2,-0.4 -2,-0.4 -30,-0.2 -0.863 39.7-121.6-171.3 140.7 33.0 54.6 29.7 42 1043 A S B -i 11 0B 0 -32,-2.0 -30,-2.5 -33,-0.3 3,-0.1 -0.742 4.5-159.8 -93.4 131.9 36.0 52.5 28.4 43 1044 A F S S+ 0 0 4 -2,-0.4 15,-0.7 37,-0.3 14,-0.4 0.655 87.1 23.3 -79.5 -14.7 39.1 51.9 30.5 44 1045 A D - 0 0 18 36,-0.2 2,-1.0 12,-0.1 -1,-0.2 -0.966 58.9-151.5-155.2 134.8 40.8 51.1 27.2 45 1046 A K > + 0 0 19 10,-1.8 3,-0.7 -2,-0.3 11,-0.1 -0.856 29.5 171.9-102.2 89.9 40.3 51.8 23.5 46 1047 A A T 3 + 0 0 3 -2,-1.0 321,-1.6 1,-0.2 322,-0.4 0.444 66.9 50.5 -83.3 -1.6 42.0 48.6 22.3 47 1048 A N T 3 + 0 0 47 319,-0.2 -1,-0.2 320,-0.1 319,-0.1 0.048 69.1 151.7-126.5 27.8 41.1 48.9 18.6 48 1049 A R < - 0 0 51 -3,-0.7 319,-0.1 1,-0.1 7,-0.0 -0.197 48.5-129.9 -56.1 151.2 42.2 52.5 17.6 49 1050 A S S S+ 0 0 34 1,-0.1 2,-0.4 2,-0.0 -1,-0.1 0.915 90.8 50.2 -69.9 -43.4 43.1 52.8 14.0 50 1051 A S S > S- 0 0 23 1,-0.1 3,-1.4 4,-0.1 -2,-0.1 -0.786 72.7-140.3-103.2 142.3 46.4 54.5 14.8 51 1052 A I T 3 S+ 0 0 29 -2,-0.4 -1,-0.1 1,-0.3 4,-0.1 0.698 104.9 60.1 -67.0 -18.3 49.1 53.4 17.2 52 1053 A H T 3 S+ 0 0 136 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.531 84.5 102.5 -88.6 -7.1 49.5 57.1 18.1 53 1054 A S S < S- 0 0 38 -3,-1.4 2,-0.1 1,-0.1 -5,-0.1 -0.350 84.4 -86.5 -78.4 158.4 45.9 57.5 19.3 54 1055 A F + 0 0 46 173,-0.5 -1,-0.1 1,-0.1 -4,-0.1 -0.367 44.0 171.0 -63.1 135.2 44.8 57.7 23.0 55 1056 A R - 0 0 56 1,-0.3 -10,-1.8 -2,-0.1 2,-0.3 0.743 44.0 -98.0-112.8 -46.7 44.0 54.3 24.5 56 1057 A G - 0 0 25 -12,-0.2 -1,-0.3 -45,-0.1 -12,-0.1 -0.951 29.5 -78.1 153.2-172.3 43.5 54.9 28.2 57 1058 A H S S- 0 0 97 -14,-0.4 4,-0.5 1,-0.3 -13,-0.1 0.106 80.3 -89.7-111.6 21.0 45.1 54.8 31.7 58 1059 A G > - 0 0 36 -15,-0.7 4,-2.1 3,-0.1 -1,-0.3 0.026 39.3 -79.6 92.8 159.7 44.8 51.1 32.3 59 1060 A L H > S+ 0 0 34 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.928 123.2 53.7 -62.3 -49.4 42.3 48.7 33.7 60 1061 A E H > S+ 0 0 170 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.946 113.0 41.9 -51.7 -57.4 43.2 49.4 37.4 61 1062 A Y H > S+ 0 0 82 -4,-0.5 4,-2.6 1,-0.2 -1,-0.2 0.913 115.6 52.2 -57.3 -45.1 42.7 53.1 37.1 62 1063 A G H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.910 109.7 45.8 -59.6 -47.9 39.6 52.7 35.0 63 1064 A V H X S+ 0 0 11 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.888 112.9 52.3 -63.4 -39.6 37.8 50.3 37.4 64 1065 A K H X S+ 0 0 116 -4,-2.2 4,-1.8 -5,-0.3 -2,-0.2 0.919 110.6 47.4 -62.6 -44.8 38.7 52.6 40.2 65 1066 A A H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.918 113.0 48.0 -63.9 -44.6 37.2 55.6 38.4 66 1067 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.877 108.4 54.9 -64.3 -38.1 34.0 53.7 37.5 67 1068 A R H X S+ 0 0 82 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.894 105.2 54.1 -62.1 -38.5 33.7 52.5 41.1 68 1069 A K H X S+ 0 0 77 -4,-1.8 4,-2.8 1,-0.2 5,-0.3 0.908 107.4 50.1 -62.0 -42.0 33.8 56.2 42.2 69 1070 A V H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 6,-0.6 0.926 113.1 46.4 -62.0 -44.5 31.0 57.1 39.9 70 1071 A K H X S+ 0 0 53 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.885 116.7 43.4 -65.6 -40.5 28.9 54.2 41.2 71 1072 A E H < S+ 0 0 136 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.883 118.6 43.5 -73.6 -39.1 29.6 55.0 44.9 72 1073 A E H < S+ 0 0 94 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.869 131.7 19.2 -75.9 -37.8 29.2 58.8 44.5 73 1074 A F H < S- 0 0 24 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.531 92.9-125.4-112.5 -8.0 26.0 58.7 42.3 74 1075 A G < + 0 0 59 -4,-1.5 2,-0.3 -5,-0.4 -4,-0.2 0.836 57.5 152.3 66.8 31.8 24.5 55.3 42.8 75 1076 A L - 0 0 9 -6,-0.6 -1,-0.2 1,-0.1 -37,-0.1 -0.733 49.1-112.9 -98.3 144.6 24.5 54.6 39.1 76 1077 A K E -c 38 0A 91 -39,-0.8 -37,-2.6 -2,-0.3 2,-0.3 -0.355 38.2-137.9 -68.4 156.3 24.8 51.2 37.4 77 1078 A I E +c 39 0A 0 16,-0.3 18,-2.2 -39,-0.2 19,-2.0 -0.887 23.8 176.9-125.1 149.9 28.0 50.7 35.4 78 1079 A T E +cd 40 96A 0 -39,-1.9 -37,-1.3 -2,-0.3 2,-0.3 -0.988 8.5 158.7-148.6 141.1 29.1 49.3 32.1 79 1080 A T E - d 0 97A 0 17,-1.0 19,-2.6 -2,-0.3 2,-0.3 -0.958 35.8-106.1-153.9 161.0 32.4 49.0 30.3 80 1081 A D E - d 0 98A 10 -2,-0.3 2,-0.3 17,-0.2 -37,-0.3 -0.660 20.1-147.4 -99.4 151.7 33.9 46.8 27.6 81 1082 A I - 0 0 0 17,-2.0 3,-0.1 -2,-0.3 32,-0.0 -0.840 9.8-173.1-112.2 155.6 36.4 44.0 27.8 82 1083 A H S S+ 0 0 19 1,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.627 70.7 27.9-121.0 -24.6 38.9 43.1 25.1 83 1084 A E S > S- 0 0 24 26,-0.1 3,-1.9 260,-0.1 4,-0.4 -0.978 83.7-108.1-140.2 150.1 40.5 39.8 26.3 84 1085 A S G > S+ 0 0 29 -2,-0.3 3,-1.5 1,-0.3 4,-0.4 0.783 110.7 62.7 -46.4 -42.4 39.1 37.0 28.5 85 1086 A W G 3 S+ 0 0 150 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.721 94.2 64.4 -61.5 -21.0 41.2 37.7 31.6 86 1087 A Q G <> S+ 0 0 11 -3,-1.9 4,-2.3 1,-0.2 -1,-0.3 0.709 82.2 78.5 -77.2 -18.8 39.6 41.2 31.9 87 1088 A A H <> S+ 0 0 3 -3,-1.5 4,-2.5 -4,-0.4 -1,-0.2 0.912 91.9 49.4 -55.9 -49.1 36.1 39.8 32.6 88 1089 A E H > S+ 0 0 159 -4,-0.4 4,-0.6 -3,-0.3 -1,-0.2 0.967 114.7 40.5 -59.6 -58.3 36.8 38.9 36.3 89 1090 A P H >4 S+ 0 0 32 0, 0.0 3,-1.2 0, 0.0 4,-0.3 0.925 117.6 49.8 -59.2 -40.3 38.3 42.2 37.4 90 1091 A V H >X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.3 3,-1.8 0.867 99.5 65.3 -64.6 -36.2 35.8 44.2 35.4 91 1092 A A H 3< S+ 0 0 14 -4,-2.5 -1,-0.3 1,-0.3 -3,-0.1 0.665 86.3 74.4 -61.8 -15.5 32.8 42.2 36.8 92 1093 A E T << S+ 0 0 138 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.797 118.1 11.1 -68.4 -27.6 33.7 43.7 40.2 93 1094 A V T <4 S+ 0 0 2 -3,-1.8 2,-0.4 -4,-0.3 -16,-0.3 0.683 107.6 90.4-120.2 -32.5 32.3 47.1 39.2 94 1095 A A < - 0 0 0 -4,-2.7 -16,-0.2 1,-0.2 3,-0.2 -0.545 45.0-171.2 -77.6 127.0 30.4 46.6 36.0 95 1096 A D S S+ 0 0 37 -18,-2.2 24,-1.9 -2,-0.4 2,-0.4 0.773 86.5 32.2 -80.5 -30.8 26.7 45.7 36.1 96 1097 A I E S-de 78 119A 3 -19,-2.0 -17,-1.0 22,-0.2 2,-0.6 -0.995 77.5-148.1-130.5 125.5 26.8 45.2 32.4 97 1098 A I E -de 79 120A 0 22,-3.2 24,-2.5 -2,-0.4 2,-0.4 -0.840 17.8-146.6 -95.3 124.7 29.8 43.8 30.5 98 1099 A Q E -de 80 121A 5 -19,-2.6 -17,-2.0 -2,-0.6 24,-0.2 -0.748 3.6-152.2 -95.3 136.1 30.1 45.2 27.0 99 1100 A I E - e 0 122A 0 22,-2.8 24,-2.5 -2,-0.4 5,-0.1 -0.933 26.4-119.6-107.1 119.6 31.5 43.1 24.1 100 1101 A P > - 0 0 10 0, 0.0 3,-1.0 0, 0.0 4,-0.3 -0.170 22.0-113.7 -57.0 150.7 33.1 45.3 21.3 101 1102 A A G > S+ 0 0 10 1,-0.3 3,-1.3 2,-0.2 24,-0.2 0.877 114.8 50.2 -52.2 -49.3 31.7 45.1 17.8 102 1103 A F G 3 S+ 0 0 9 1,-0.2 3,-0.3 23,-0.1 -1,-0.3 0.725 112.5 49.5 -65.3 -21.7 34.8 43.5 16.2 103 1104 A L G X S+ 0 0 3 -3,-1.0 3,-1.9 1,-0.2 -1,-0.2 0.284 71.7 112.1-102.1 10.8 34.9 40.8 19.0 104 1105 A C T < S+ 0 0 0 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.597 82.6 46.3 -61.2 -11.8 31.2 39.7 18.8 105 1106 A R T 3 S+ 0 0 32 -3,-0.3 2,-1.3 -4,-0.1 -1,-0.3 0.400 78.6 113.7-108.3 -2.3 32.2 36.3 17.5 106 1107 A Q X> - 0 0 17 -3,-1.9 4,-2.0 1,-0.2 3,-0.7 -0.592 51.0-163.8 -77.3 95.7 35.1 35.6 19.9 107 1108 A T H 3> S+ 0 0 3 199,-1.6 4,-2.6 -2,-1.3 5,-0.2 0.839 83.1 51.0 -46.5 -49.7 33.7 32.7 21.9 108 1109 A D H 3> S+ 0 0 56 198,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.860 109.6 51.0 -62.4 -35.9 36.1 32.8 24.8 109 1110 A L H <> S+ 0 0 2 -3,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.929 112.5 45.6 -66.9 -45.7 35.4 36.5 25.4 110 1111 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.902 114.5 48.8 -63.0 -42.7 31.7 35.9 25.4 111 1112 A L H X S+ 0 0 33 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.889 108.5 53.6 -64.7 -40.1 32.1 32.9 27.7 112 1113 A A H < S+ 0 0 12 -4,-2.4 4,-0.3 -5,-0.2 -1,-0.2 0.905 112.4 44.3 -61.6 -41.9 34.3 34.9 30.1 113 1114 A A H ><>S+ 0 0 0 -4,-2.0 3,-1.2 1,-0.2 5,-0.5 0.918 111.0 54.2 -68.5 -45.0 31.7 37.6 30.4 114 1115 A A H ><5S+ 0 0 1 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.858 101.4 57.0 -60.2 -39.1 28.8 35.2 30.8 115 1116 A K T 3<5S+ 0 0 160 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.588 90.0 74.7 -73.3 -7.4 30.3 33.3 33.7 116 1117 A T T < 5S- 0 0 43 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.2 0.690 102.3-126.0 -75.8 -18.1 30.6 36.4 35.8 117 1118 A G T < 5S+ 0 0 47 -3,-1.3 2,-0.1 1,-0.3 -2,-0.1 0.416 70.5 124.2 87.1 -2.7 26.9 36.5 36.4 118 1119 A R S - 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