==== 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 1LRN . 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) . 20451.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 374 72.9 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 . 36 7.0 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 . 154 30.0 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 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 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 0 207 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 166.9 9.2 47.8 30.2 2 1003 A K - 0 0 107 1,-0.1 33,-0.2 33,-0.1 2,-0.1 -0.555 360.0-124.0 -73.2 119.3 11.6 50.4 31.6 3 1004 A F E -a 35 0A 3 31,-0.8 33,-3.1 -2,-0.5 2,-0.4 -0.356 22.2-135.3 -64.1 137.6 13.5 52.1 28.7 4 1005 A L E -ab 36 214A 5 209,-1.8 211,-2.6 31,-0.2 2,-0.5 -0.807 18.6-173.4-100.8 132.9 17.3 51.9 29.0 5 1006 A V E -ab 37 215A 0 31,-2.5 33,-2.0 -2,-0.4 2,-0.6 -0.938 5.0-171.5-125.4 105.9 19.5 54.9 28.3 6 1007 A I E +ab 38 216A 0 209,-3.1 211,-2.9 -2,-0.5 2,-0.3 -0.879 24.3 151.6 -97.3 120.7 23.2 53.9 28.3 7 1008 A A E +ab 39 217A 1 31,-2.3 33,-2.2 -2,-0.6 211,-0.2 -0.997 3.2 109.8-152.4 156.7 25.4 57.0 28.2 8 1009 A G E - b 0 218A 0 209,-1.3 211,-1.9 -2,-0.3 33,-0.1 -0.910 66.4 -45.4 160.8 175.5 28.7 58.5 29.2 9 1010 A P - 0 0 0 0, 0.0 33,-0.3 0, 0.0 211,-0.1 -0.421 51.1-123.2 -69.1 144.6 32.0 59.7 27.8 10 1011 A C S S+ 0 0 0 218,-0.2 32,-2.2 31,-0.2 2,-0.3 0.939 92.9 22.0 -51.4 -53.3 33.6 57.4 25.2 11 1012 A A B S-i 42 0B 0 30,-0.2 2,-2.4 217,-0.2 3,-0.2 -0.878 82.6-112.9-121.3 150.7 36.8 57.1 27.1 12 1013 A I + 0 0 2 30,-2.2 45,-0.3 -2,-0.3 3,-0.1 -0.508 43.4 168.8 -78.0 74.2 37.8 57.5 30.8 13 1014 A E - 0 0 32 -2,-2.4 2,-0.3 1,-0.2 -1,-0.2 0.770 69.0 -26.3 -59.6 -26.2 40.0 60.6 29.9 14 1015 A S > - 0 0 37 -3,-0.2 4,-1.4 1,-0.1 -1,-0.2 -0.936 61.9-103.5-177.9 162.6 40.1 61.2 33.7 15 1016 A E H > S+ 0 0 42 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.733 119.0 58.1 -71.6 -21.5 38.1 60.6 36.9 16 1017 A E H > S+ 0 0 157 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.930 102.2 51.6 -72.4 -47.2 37.1 64.2 36.8 17 1018 A L H > S+ 0 0 12 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.903 110.9 51.1 -54.8 -43.0 35.4 64.0 33.4 18 1019 A L H X S+ 0 0 0 -4,-1.4 4,-3.5 2,-0.2 -1,-0.2 0.939 109.5 46.6 -61.4 -51.1 33.5 61.0 34.6 19 1020 A L H X S+ 0 0 37 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.874 111.3 54.2 -61.0 -35.9 32.2 62.6 37.8 20 1021 A K H X S+ 0 0 109 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.895 115.2 38.3 -65.0 -41.2 31.2 65.7 35.7 21 1022 A V H X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.883 113.8 56.4 -76.1 -39.2 29.2 63.5 33.3 22 1023 A G H X S+ 0 0 0 -4,-3.5 4,-2.5 1,-0.2 -2,-0.2 0.868 102.6 55.9 -59.6 -37.8 27.9 61.3 36.1 23 1024 A E H X S+ 0 0 132 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.945 110.4 44.1 -60.3 -47.9 26.5 64.4 37.9 24 1025 A E H X S+ 0 0 30 -4,-1.2 4,-2.1 1,-0.2 -2,-0.2 0.890 113.4 50.5 -65.5 -39.8 24.5 65.3 34.8 25 1026 A I H X S+ 0 0 1 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.878 109.3 51.9 -66.5 -35.5 23.3 61.7 34.2 26 1027 A K H X S+ 0 0 64 -4,-2.5 4,-1.6 -5,-0.2 -2,-0.2 0.926 107.9 52.2 -64.9 -43.4 22.3 61.5 37.9 27 1028 A R H X S+ 0 0 115 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.914 111.8 45.7 -58.8 -44.1 20.2 64.7 37.5 28 1029 A L H X S+ 0 0 0 -4,-2.1 4,-3.6 1,-0.2 -1,-0.2 0.865 106.8 58.2 -68.8 -34.9 18.4 63.2 34.4 29 1030 A S H < S+ 0 0 21 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.828 106.5 50.2 -64.0 -29.9 17.9 59.9 36.2 30 1031 A E H < S+ 0 0 95 -4,-1.6 3,-0.3 -3,-0.2 -1,-0.2 0.850 116.7 40.8 -75.7 -34.1 16.0 61.9 38.9 31 1032 A K H < S+ 0 0 106 -4,-1.4 2,-1.7 1,-0.2 -2,-0.2 0.963 115.1 48.0 -76.8 -56.7 13.9 63.6 36.2 32 1033 A F >< + 0 0 5 -4,-3.6 3,-1.8 1,-0.2 -1,-0.2 -0.552 65.5 164.7 -88.3 74.4 13.2 60.7 33.9 33 1034 A K T 3 S+ 0 0 138 -2,-1.7 -1,-0.2 -3,-0.3 -4,-0.1 0.629 70.0 64.6 -66.3 -14.4 12.1 58.2 36.5 34 1035 A E T 3 S+ 0 0 97 -3,-0.1 -31,-0.8 -32,-0.0 2,-0.4 0.398 94.6 80.4 -88.4 4.3 10.6 55.9 33.8 35 1036 A V E < S-a 3 0A 6 -3,-1.8 2,-0.7 -6,-0.2 -31,-0.2 -0.893 71.2-143.5-114.0 141.7 14.1 55.4 32.4 36 1037 A E E -a 4 0A 40 -33,-3.1 -31,-2.5 -2,-0.4 2,-0.3 -0.906 24.4-157.7-101.9 112.9 16.9 53.1 33.7 37 1038 A F E -a 5 0A 12 -2,-0.7 39,-0.8 -33,-0.2 2,-0.4 -0.714 11.3-171.6 -93.9 143.9 20.2 54.9 33.2 38 1039 A V E -ac 6 76A 0 -33,-2.0 -31,-2.3 -2,-0.3 2,-0.4 -0.993 21.0-133.4-133.9 123.2 23.6 53.1 33.0 39 1040 A F E -ac 7 77A 0 37,-3.1 39,-2.1 -2,-0.4 2,-0.4 -0.665 26.9-164.1 -80.5 127.4 26.8 55.1 33.0 40 1041 A K E + c 0 78A 2 -33,-2.2 2,-0.2 -2,-0.4 39,-0.2 -0.892 22.7 142.6-118.4 144.7 29.2 54.1 30.3 41 1042 A S - 0 0 0 37,-1.2 2,-0.4 -2,-0.4 -30,-0.2 -0.751 39.7-123.8-176.4 129.0 32.9 54.7 29.7 42 1043 A S B -i 11 0B 1 -32,-2.2 -30,-2.2 -33,-0.3 3,-0.1 -0.614 3.3-157.2 -81.2 128.9 35.8 52.6 28.3 43 1044 A F S S+ 0 0 4 -2,-0.4 15,-0.8 37,-0.3 14,-0.4 0.633 86.8 20.4 -76.7 -11.0 38.9 52.1 30.5 44 1045 A D - 0 0 18 36,-0.2 2,-1.1 12,-0.1 -1,-0.2 -0.929 59.5-147.6-161.5 133.3 40.7 51.4 27.2 45 1046 A K > + 0 0 21 10,-2.1 3,-0.7 -2,-0.3 11,-0.1 -0.829 30.5 171.4 -97.9 91.2 40.3 52.0 23.5 46 1047 A A T 3 + 0 0 3 -2,-1.1 321,-1.7 1,-0.2 322,-0.4 0.432 67.8 49.6 -84.1 -0.9 41.9 48.8 22.4 47 1048 A N T 3 + 0 0 50 319,-0.2 -1,-0.2 320,-0.1 319,-0.1 0.064 68.3 150.7-127.8 26.3 41.0 49.1 18.7 48 1049 A R < - 0 0 50 -3,-0.7 319,-0.1 1,-0.1 7,-0.0 -0.205 49.4-129.3 -54.8 151.9 42.1 52.6 17.7 49 1050 A S S S+ 0 0 34 1,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.931 91.6 51.4 -69.8 -45.2 43.0 52.9 14.0 50 1051 A S S > S- 0 0 23 1,-0.1 3,-1.3 348,-0.1 -2,-0.1 -0.743 73.4-141.0 -98.8 142.3 46.3 54.6 14.7 51 1052 A I T 3 S+ 0 0 26 -2,-0.3 -1,-0.1 1,-0.3 4,-0.1 0.686 104.0 61.4 -69.0 -18.2 49.0 53.5 17.2 52 1053 A H T 3 S+ 0 0 139 2,-0.1 -1,-0.3 3,-0.0 2,-0.1 0.480 84.1 102.4 -88.4 -4.2 49.4 57.2 18.1 53 1054 A S S < S- 0 0 39 -3,-1.3 -5,-0.1 1,-0.1 2,-0.1 -0.413 84.2 -85.7 -82.4 158.8 45.8 57.7 19.3 54 1055 A F + 0 0 50 173,-0.5 -1,-0.1 1,-0.1 -2,-0.1 -0.353 44.4 170.0 -62.4 133.2 44.6 57.9 23.0 55 1056 A R - 0 0 57 1,-0.3 -10,-2.1 -11,-0.1 2,-0.3 0.747 43.3-102.8-111.7 -47.0 43.9 54.5 24.6 56 1057 A G - 0 0 28 -12,-0.2 -1,-0.3 -45,-0.1 -12,-0.1 -0.948 29.8 -74.6 150.0-170.6 43.4 55.2 28.3 57 1058 A H S S- 0 0 95 -14,-0.4 4,-0.5 1,-0.3 -13,-0.1 0.161 81.0 -89.9-111.1 18.4 44.9 55.0 31.7 58 1059 A G > - 0 0 35 -15,-0.8 4,-2.4 3,-0.1 -1,-0.3 -0.001 38.1 -79.8 94.9 158.8 44.6 51.2 32.2 59 1060 A L H > S+ 0 0 33 2,-0.2 4,-3.3 1,-0.2 5,-0.4 0.955 124.2 53.8 -58.8 -55.6 42.1 48.8 33.7 60 1061 A E H > S+ 0 0 173 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.915 114.1 40.7 -46.2 -56.4 43.0 49.4 37.3 61 1062 A Y H > S+ 0 0 80 -4,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.913 116.1 51.5 -61.3 -45.4 42.6 53.2 37.0 62 1063 A G H X S+ 0 0 1 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.933 109.9 46.4 -59.0 -51.6 39.4 52.8 34.9 63 1064 A V H X S+ 0 0 9 -4,-3.3 4,-3.0 1,-0.2 5,-0.2 0.912 112.8 51.8 -58.2 -44.0 37.6 50.4 37.2 64 1065 A K H X S+ 0 0 120 -4,-2.0 4,-1.4 -5,-0.4 -1,-0.2 0.884 110.1 48.3 -61.4 -39.9 38.5 52.7 40.2 65 1066 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.910 113.0 48.1 -67.6 -41.7 37.1 55.7 38.4 66 1067 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.915 107.5 54.4 -64.7 -44.3 33.9 53.9 37.5 67 1068 A R H X S+ 0 0 89 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.857 106.3 54.6 -58.9 -33.0 33.5 52.6 41.1 68 1069 A K H X S+ 0 0 72 -4,-1.4 4,-3.5 -5,-0.2 5,-0.3 0.937 107.3 49.3 -64.7 -46.4 33.7 56.2 42.2 69 1070 A V H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 6,-0.5 0.937 114.7 43.8 -57.7 -49.2 30.9 57.2 39.8 70 1071 A K H X S+ 0 0 55 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.883 117.2 47.7 -62.3 -39.9 28.7 54.3 41.1 71 1072 A E H < S+ 0 0 135 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.907 117.3 40.0 -67.8 -45.9 29.6 55.1 44.6 72 1073 A E H < S+ 0 0 93 -4,-3.5 -2,-0.2 -5,-0.2 -3,-0.2 0.853 132.5 21.5 -76.2 -35.9 29.0 58.9 44.4 73 1074 A F H < S- 0 0 24 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.510 92.3-125.6-112.7 -7.3 25.9 58.8 42.2 74 1075 A G < + 0 0 59 -4,-1.8 2,-0.3 -5,-0.4 -4,-0.2 0.865 58.2 153.0 63.6 34.8 24.4 55.3 42.8 75 1076 A L - 0 0 10 -6,-0.5 -1,-0.2 -5,-0.1 -37,-0.1 -0.739 49.6-111.1 -99.3 144.0 24.4 54.8 39.0 76 1077 A K E -c 38 0A 86 -39,-0.8 -37,-3.1 -2,-0.3 2,-0.3 -0.396 38.1-140.6 -68.4 153.6 24.6 51.5 37.3 77 1078 A I E +c 39 0A 0 16,-0.3 18,-2.7 -39,-0.2 19,-1.8 -0.918 22.7 176.7-124.9 145.4 27.9 50.9 35.4 78 1079 A T E +cd 40 96A 0 -39,-2.1 -37,-1.2 -2,-0.3 2,-0.3 -0.995 8.1 159.7-144.3 140.4 28.9 49.4 32.0 79 1080 A T E - d 0 97A 0 17,-1.1 19,-2.5 -2,-0.3 2,-0.3 -0.964 34.4-107.7-152.9 160.1 32.3 49.1 30.3 80 1081 A D E - d 0 98A 10 -2,-0.3 -37,-0.3 17,-0.2 2,-0.3 -0.679 19.4-148.9-100.0 150.0 33.8 46.9 27.6 81 1082 A I - 0 0 0 17,-1.9 3,-0.1 -2,-0.3 32,-0.0 -0.787 8.3-170.2-110.1 158.1 36.3 44.1 27.8 82 1083 A H S S+ 0 0 20 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.584 71.4 28.1-122.6 -19.5 38.8 43.2 25.1 83 1084 A E S > S- 0 0 25 26,-0.1 3,-1.7 1,-0.1 4,-0.5 -0.972 83.1-107.4-142.6 154.2 40.3 39.9 26.3 84 1085 A S G > S+ 0 0 28 -2,-0.3 3,-1.5 1,-0.3 4,-0.5 0.825 111.2 61.6 -48.9 -45.4 39.0 37.1 28.5 85 1086 A W G 3 S+ 0 0 147 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.713 96.1 63.1 -59.5 -20.9 41.1 37.9 31.6 86 1087 A Q G <> S+ 0 0 12 -3,-1.7 4,-2.2 1,-0.2 5,-0.3 0.723 83.1 77.5 -78.1 -21.3 39.4 41.3 31.9 87 1088 A A H <> S+ 0 0 3 -3,-1.5 4,-2.7 -4,-0.5 -1,-0.2 0.923 92.7 50.0 -53.9 -50.5 35.9 39.9 32.6 88 1089 A E H > S+ 0 0 157 -4,-0.5 4,-0.6 -3,-0.2 -1,-0.2 0.956 114.5 40.1 -57.1 -58.1 36.6 39.0 36.2 89 1090 A P H >4 S+ 0 0 36 0, 0.0 3,-0.7 0, 0.0 4,-0.2 0.871 117.9 49.0 -62.4 -34.7 38.1 42.3 37.4 90 1091 A V H >X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 3,-2.2 0.892 100.0 65.7 -70.0 -38.8 35.6 44.4 35.4 91 1092 A A H 3< S+ 0 0 14 -4,-2.7 -1,-0.2 -5,-0.3 -3,-0.1 0.691 86.9 73.7 -56.7 -18.5 32.7 42.4 36.7 92 1093 A E T << S+ 0 0 144 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.762 117.9 11.5 -69.6 -23.0 33.5 43.8 40.1 93 1094 A V T <4 S+ 0 0 1 -3,-2.2 2,-0.4 -4,-0.2 -16,-0.3 0.656 108.5 89.5-122.2 -33.0 32.1 47.2 39.2 94 1095 A A < - 0 0 0 -4,-2.7 -16,-0.2 1,-0.2 3,-0.1 -0.552 46.1-171.1 -77.7 126.2 30.2 46.8 35.9 95 1096 A D S S+ 0 0 36 -18,-2.7 24,-2.0 -2,-0.4 2,-0.4 0.758 86.4 33.5 -80.7 -29.2 26.5 45.9 36.0 96 1097 A I E S-de 78 119A 3 -19,-1.8 -17,-1.1 22,-0.2 2,-0.6 -0.996 77.8-148.6-130.9 124.7 26.6 45.3 32.3 97 1098 A I E -de 79 120A 0 22,-3.0 24,-2.7 -2,-0.4 2,-0.4 -0.843 17.9-146.7 -95.2 125.1 29.7 43.9 30.5 98 1099 A Q E -de 80 121A 6 -19,-2.5 -17,-1.9 -2,-0.6 24,-0.2 -0.757 4.4-152.9 -96.9 138.1 30.0 45.3 27.0 99 1100 A I E - e 0 122A 0 22,-2.8 24,-2.6 -2,-0.4 5,-0.1 -0.939 25.9-120.2-108.4 120.7 31.4 43.3 24.1 100 1101 A P > - 0 0 12 0, 0.0 3,-0.8 0, 0.0 4,-0.3 -0.218 21.5-115.1 -58.9 150.3 33.0 45.4 21.3 101 1102 A A G > S+ 0 0 9 1,-0.3 3,-1.2 2,-0.2 24,-0.2 0.866 114.6 51.6 -53.7 -46.1 31.6 45.1 17.8 102 1103 A F G 3 S+ 0 0 10 1,-0.2 3,-0.3 23,-0.1 -1,-0.3 0.778 113.4 47.4 -65.2 -24.5 34.7 43.6 16.2 103 1104 A L G X S+ 0 0 4 -3,-0.8 3,-2.0 1,-0.2 -1,-0.2 0.291 73.1 113.2-100.1 8.9 34.8 40.9 19.0 104 1105 A C T < S+ 0 0 1 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.1 0.569 83.0 44.4 -60.5 -9.0 31.1 39.9 18.8 105 1106 A R T 3 S+ 0 0 34 -3,-0.3 2,-1.3 -4,-0.1 -1,-0.3 0.394 77.9 115.1-114.2 0.5 32.1 36.4 17.6 106 1107 A Q X> - 0 0 17 -3,-2.0 4,-2.1 1,-0.2 3,-0.7 -0.603 51.7-161.1 -76.0 97.1 35.0 35.7 19.9 107 1108 A T H 3> S+ 0 0 3 199,-1.7 4,-2.6 -2,-1.3 5,-0.2 0.840 83.4 50.7 -46.3 -50.2 33.6 32.7 21.9 108 1109 A D H 3> S+ 0 0 59 198,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.856 109.8 50.2 -61.7 -37.2 36.0 32.9 24.9 109 1110 A L H <> S+ 0 0 2 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.953 112.9 46.1 -66.4 -48.9 35.4 36.6 25.5 110 1111 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.903 114.8 48.2 -58.9 -41.8 31.6 36.1 25.4 111 1112 A L H X S+ 0 0 30 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.892 109.0 53.7 -66.6 -39.6 32.0 33.0 27.7 112 1113 A A H < S+ 0 0 11 -4,-2.5 4,-0.4 -5,-0.2 -2,-0.2 0.903 111.8 44.8 -61.3 -42.9 34.2 35.0 30.0 113 1114 A A H ><>S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.2 5,-0.6 0.950 111.1 53.8 -66.3 -49.1 31.6 37.8 30.3 114 1115 A A H ><5S+ 0 0 1 -4,-2.4 3,-1.3 1,-0.3 -2,-0.2 0.822 101.4 56.4 -56.6 -40.5 28.6 35.4 30.8 115 1116 A K T 3<5S+ 0 0 159 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.632 90.8 74.2 -71.7 -11.7 30.1 33.4 33.7 116 1117 A T T < 5S- 0 0 44 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.2 0.730 103.2-126.4 -72.3 -20.2 30.5 36.5 35.8 117 1118 A G T < 5 + 0 0 49 -3,-1.3 -3,-0.1 -4,-0.4 -2,-0.1 0.459 69.2 125.5 87.9 -0.2 26.7 36.6 36.3 118 1119 A R S - 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