==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-DEC-01 1KO8 . COMPND 2 MOLECULE: GLUCONATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR L.KRAFT,G.A.SPRENGER,Y.LINDQVIST . 340 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17237.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 261 76.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 31 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 37.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 0 0 1 5 0 4 0 0 0 2 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 6 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 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 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 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 T 0 0 107 0, 0.0 2,-0.2 0, 0.0 222,-0.0 0.000 360.0 360.0 360.0-177.5 7.7 12.2 30.5 2 4 A T - 0 0 35 2,-0.0 2,-0.6 3,-0.0 74,-0.1 -0.573 360.0-150.5 -82.5 145.8 4.7 10.1 31.0 3 5 A N > - 0 0 50 -2,-0.2 3,-2.5 3,-0.1 -1,-0.0 -0.871 6.9-168.9-119.2 97.5 1.2 11.4 30.3 4 6 A H T 3 S+ 0 0 135 -2,-0.6 -1,-0.1 1,-0.3 -2,-0.0 0.539 86.3 65.8 -66.5 -4.3 -1.1 9.6 32.6 5 7 A D T 3 S+ 0 0 143 70,-0.1 2,-0.3 -3,-0.0 -1,-0.3 0.738 98.4 66.6 -80.7 -23.1 -4.0 10.9 30.6 6 8 A H S < S- 0 0 26 -3,-2.5 2,-0.3 69,-0.2 74,-0.2 -0.791 73.2-167.0-101.5 142.5 -2.7 8.8 27.8 7 9 A H E -a 80 0A 53 72,-2.9 74,-2.2 -2,-0.3 2,-0.4 -0.915 15.8-147.9-133.7 153.2 -2.7 5.0 28.0 8 10 A I E -ab 81 103A 0 94,-2.3 96,-2.1 -2,-0.3 2,-0.5 -0.988 11.9-160.7-121.3 130.4 -1.2 2.0 26.2 9 11 A Y E -ab 82 104A 20 72,-3.6 74,-3.6 -2,-0.4 2,-0.6 -0.892 3.6-157.5-107.8 131.4 -3.1 -1.3 26.0 10 12 A V E -ab 83 105A 1 94,-2.9 96,-2.6 -2,-0.5 2,-0.6 -0.941 7.0-149.8-109.8 119.4 -1.2 -4.4 25.2 11 13 A L E -ab 84 106A 0 72,-2.2 74,-2.9 -2,-0.6 2,-0.2 -0.767 23.3-178.3 -84.6 125.8 -3.2 -7.3 23.7 12 14 A M E + b 0 107A 0 94,-1.4 96,-1.6 -2,-0.6 74,-0.3 -0.674 18.6 122.3-114.8 172.0 -1.6 -10.5 24.8 13 15 A G - 0 0 0 73,-2.3 4,-0.2 -2,-0.2 3,-0.1 -0.383 61.8 -70.2 138.0 137.6 -2.6 -14.0 23.9 14 16 A V > - 0 0 6 -2,-0.2 3,-1.4 1,-0.1 5,-0.3 0.148 68.7 -77.2 -45.0 165.8 -1.1 -17.1 22.3 15 17 A S T 3 S+ 0 0 50 1,-0.2 -1,-0.1 116,-0.2 120,-0.0 -0.428 118.7 32.9 -68.9 144.3 -0.4 -17.0 18.7 16 18 A G T 3 S+ 0 0 20 -3,-0.1 -1,-0.2 -2,-0.1 -2,-0.1 0.394 80.9 111.6 91.3 -1.9 -3.5 -17.5 16.6 17 19 A S S < S- 0 0 3 -3,-1.4 -2,-0.1 -4,-0.2 -3,-0.1 0.492 89.4-112.1 -86.4 -3.7 -5.8 -15.7 18.9 18 20 A G > + 0 0 10 -4,-0.1 4,-2.6 -5,-0.1 5,-0.2 0.692 62.9 149.7 88.2 26.1 -6.3 -12.9 16.4 19 21 A K H > S+ 0 0 21 -5,-0.3 4,-3.1 2,-0.2 5,-0.3 0.901 72.5 47.0 -59.3 -46.1 -4.6 -10.0 18.2 20 22 A S H > S+ 0 0 40 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.966 113.1 48.0 -64.4 -55.2 -3.4 -8.2 15.2 21 23 A A H > S+ 0 0 44 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.876 117.1 43.8 -48.5 -43.1 -6.8 -8.4 13.4 22 24 A V H >X S+ 0 0 4 -4,-2.6 4,-2.5 2,-0.2 3,-0.6 0.992 115.4 45.4 -69.5 -56.2 -8.6 -7.3 16.5 23 25 A A H 3X S+ 0 0 0 -4,-3.1 4,-3.4 1,-0.3 -2,-0.2 0.839 110.5 55.7 -51.9 -42.8 -6.2 -4.4 17.4 24 26 A S H 3X S+ 0 0 48 -4,-3.2 4,-1.7 -5,-0.3 -1,-0.3 0.893 114.4 39.8 -59.3 -41.2 -6.1 -3.3 13.8 25 27 A E H X>S+ 0 0 7 -4,-3.4 3,-3.8 -5,-0.3 4,-1.1 0.974 109.5 46.1 -55.2 -74.7 -7.6 0.9 16.4 28 30 A H H 3<5S+ 0 0 65 -4,-1.7 3,-0.2 1,-0.3 -1,-0.2 0.732 110.7 53.1 -38.4 -42.1 -9.3 2.2 13.3 29 31 A Q T 3<5S+ 0 0 98 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.461 120.1 33.9 -76.2 3.5 -12.7 2.4 15.1 30 32 A L T <45S- 0 0 44 -3,-3.8 -2,-0.2 -4,-0.3 -1,-0.2 0.488 103.8-116.8-135.0 -10.7 -11.2 4.5 17.8 31 33 A H T <5 + 0 0 175 -4,-1.1 -3,-0.2 -3,-0.2 49,-0.2 0.741 64.4 148.1 69.3 31.8 -8.6 6.7 16.2 32 34 A A < - 0 0 21 -5,-0.8 2,-0.3 -6,-0.3 49,-0.2 -0.360 54.8-100.8 -91.5 169.5 -5.8 5.1 18.3 33 35 A A E -c 81 0A 7 47,-1.7 49,-3.0 -2,-0.1 2,-0.4 -0.679 38.9-165.2 -84.3 140.8 -2.2 4.3 17.6 34 36 A F E +c 82 0A 31 -2,-0.3 2,-0.5 47,-0.2 175,-0.2 -0.949 12.1 178.3-137.6 119.9 -1.6 0.7 16.7 35 37 A L E -c 83 0A 0 47,-2.3 49,-2.6 -2,-0.4 2,-0.8 -0.981 20.4-148.8-118.3 126.5 1.8 -1.1 16.7 36 38 A D E > -c 84 0A 18 -2,-0.5 3,-1.7 171,-0.3 49,-0.1 -0.867 13.1-155.4 -92.5 113.0 2.0 -4.8 15.9 37 39 A G G > S+ 0 0 0 47,-1.5 3,-1.8 -2,-0.8 -1,-0.1 0.604 84.1 80.1 -71.7 -11.8 5.0 -5.8 17.9 38 40 A D G > S+ 0 0 97 1,-0.3 3,-1.0 2,-0.1 -1,-0.3 0.832 88.1 66.3 -59.0 -25.7 5.8 -8.7 15.8 39 41 A F G < S+ 0 0 9 -3,-1.7 207,-0.3 1,-0.2 -1,-0.3 0.591 89.2 62.0 -73.8 -7.6 7.3 -5.9 13.7 40 42 A L G < + 0 0 19 -3,-1.8 -1,-0.2 206,-0.1 26,-0.2 0.249 65.3 124.0-108.9 16.0 10.1 -4.8 16.2 41 43 A H S < S- 0 0 7 -3,-1.0 205,-0.1 -4,-0.1 2,-0.1 -0.489 70.1-103.2 -68.9 148.6 12.2 -7.9 16.4 42 44 A P >> - 0 0 27 0, 0.0 4,-1.3 0, 0.0 3,-0.6 -0.436 35.9 -98.2 -73.1 149.3 15.8 -7.2 15.6 43 45 A R H >> S+ 0 0 66 1,-0.3 4,-1.5 2,-0.2 3,-0.7 0.795 123.3 47.8 -30.8 -57.1 17.2 -8.2 12.2 44 46 A R H 3> S+ 0 0 118 1,-0.3 4,-3.3 2,-0.2 3,-0.4 0.943 101.7 63.4 -58.2 -48.0 18.8 -11.4 13.5 45 47 A N H <> S+ 0 0 0 -3,-0.6 4,-2.3 1,-0.3 -1,-0.3 0.860 105.1 48.6 -44.8 -36.0 15.7 -12.4 15.4 46 48 A I H <>S+ 0 0 67 -4,-3.3 3,-2.6 1,-0.3 5,-0.9 0.979 113.2 42.2 -50.7 -61.1 16.8 -17.0 13.3 49 51 A M H ><5S+ 0 0 77 -4,-2.3 3,-1.2 1,-0.3 -1,-0.3 0.776 106.0 67.1 -58.3 -21.8 13.1 -17.6 13.0 50 52 A A T 3<5S+ 0 0 43 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.571 95.4 57.6 -77.3 -1.9 13.7 -17.7 9.3 51 53 A S T < 5S- 0 0 84 -3,-2.6 -1,-0.2 -4,-0.4 -2,-0.2 0.395 121.8 -96.8-107.0 0.1 15.5 -21.0 9.9 52 54 A G T < 5S+ 0 0 74 -3,-1.2 -3,-0.2 -4,-0.2 -2,-0.1 0.307 88.5 109.7 101.6 -6.1 12.8 -23.0 11.6 53 55 A E < - 0 0 120 -5,-0.9 -2,-0.2 1,-0.0 -1,-0.2 -0.882 61.6-126.5-116.6 131.4 13.9 -22.4 15.2 54 56 A P - 0 0 115 0, 0.0 2,-0.2 0, 0.0 -1,-0.0 -0.210 29.1-109.5 -67.3 156.5 12.3 -20.4 18.0 55 57 A L - 0 0 18 1,-0.1 2,-0.2 2,-0.0 -10,-0.0 -0.489 25.4-128.6 -83.4 155.6 14.1 -17.7 20.0 56 58 A N >> - 0 0 80 -2,-0.2 4,-1.8 1,-0.1 3,-1.2 -0.537 36.1 -95.3 -96.7 168.1 15.1 -18.0 23.6 57 59 A D H 3> S+ 0 0 70 1,-0.3 4,-1.0 2,-0.2 -1,-0.1 0.762 127.1 66.3 -54.1 -19.0 14.3 -15.5 26.4 58 60 A D H >4 S+ 0 0 126 1,-0.2 3,-0.6 2,-0.2 -1,-0.3 0.954 101.8 43.4 -66.1 -47.1 17.7 -14.3 25.4 59 61 A D H <> S+ 0 0 3 -3,-1.2 4,-0.8 1,-0.2 -2,-0.2 0.847 106.2 61.0 -69.0 -36.2 16.5 -13.2 22.1 60 62 A R H 3X S+ 0 0 53 -4,-1.8 4,-3.5 1,-0.2 5,-0.3 0.755 84.6 83.7 -62.8 -23.4 13.3 -11.7 23.3 61 63 A K H S+ 0 0 62 0, 0.0 4,-1.4 0, 0.0 -1,-0.3 0.820 116.7 57.0 -63.4 -28.4 16.0 -6.7 22.8 63 65 A W H X S+ 0 0 4 -4,-0.8 4,-1.5 1,-0.2 -2,-0.2 0.911 107.2 45.9 -70.5 -39.7 12.5 -7.3 21.4 64 66 A L H X S+ 0 0 1 -4,-3.5 4,-2.5 -3,-0.2 -1,-0.2 0.915 108.9 55.5 -69.2 -38.2 10.8 -6.5 24.6 65 67 A Q H X S+ 0 0 101 -4,-2.1 4,-3.2 -5,-0.3 -1,-0.2 0.841 106.2 50.0 -58.9 -43.3 12.8 -3.3 25.2 66 68 A A H X S+ 0 0 26 -4,-1.4 4,-4.2 2,-0.3 -1,-0.2 0.872 110.5 51.1 -62.7 -43.0 11.8 -1.8 21.8 67 69 A L H X S+ 0 0 0 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.942 112.2 46.5 -60.3 -42.0 8.3 -2.6 22.7 68 70 A N H X S+ 0 0 6 -4,-2.5 4,-2.5 2,-0.2 -2,-0.3 0.913 114.2 48.2 -65.9 -42.2 8.9 -0.8 25.9 69 71 A D H X S+ 0 0 37 -4,-3.2 4,-2.0 1,-0.2 3,-0.3 0.997 111.9 48.8 -57.1 -65.9 10.5 1.9 24.0 70 72 A A H X S+ 0 0 1 -4,-4.2 4,-2.2 1,-0.3 -2,-0.2 0.730 109.6 52.3 -45.2 -33.9 7.6 2.1 21.5 71 73 A A H X S+ 0 0 0 -4,-2.0 4,-1.4 -5,-0.2 -1,-0.3 0.920 108.9 50.7 -71.3 -41.5 5.1 2.2 24.4 72 74 A F H < S+ 0 0 3 -4,-2.5 -2,-0.2 -3,-0.3 -1,-0.2 0.882 114.1 44.2 -60.5 -37.4 7.0 5.0 25.8 73 75 A A H >X S+ 0 0 6 -4,-2.0 3,-1.2 139,-0.3 4,-0.6 0.868 108.5 55.4 -76.2 -39.5 6.9 6.9 22.5 74 76 A M H >X S+ 0 0 0 -4,-2.2 4,-0.7 1,-0.2 3,-0.5 0.816 102.1 57.7 -63.9 -26.4 3.3 6.2 21.6 75 77 A Q H 3< S+ 0 0 0 -4,-1.4 -1,-0.2 1,-0.2 -69,-0.2 0.472 90.3 71.5 -89.4 -4.2 2.0 7.7 24.8 76 78 A R H <4 S+ 0 0 84 -3,-1.2 -1,-0.2 -4,-0.2 -2,-0.2 0.853 118.6 14.4 -74.9 -38.0 3.6 11.0 24.3 77 79 A T H << S+ 0 0 98 -4,-0.6 2,-0.4 -3,-0.5 -2,-0.2 0.279 113.6 75.3-122.6 9.5 1.1 11.9 21.5 78 80 A N < - 0 0 35 -4,-0.7 3,-0.2 1,-0.1 -71,-0.1 -0.988 55.6-153.9-132.7 132.9 -1.8 9.4 21.7 79 81 A K S S+ 0 0 158 -2,-0.4 -72,-2.9 1,-0.3 2,-0.4 0.927 93.9 19.4 -66.2 -46.6 -4.7 9.2 24.2 80 82 A V E S-a 7 0A 42 -74,-0.2 -47,-1.7 -49,-0.2 2,-0.4 -0.993 72.3-172.4-128.9 133.4 -5.0 5.6 23.6 81 83 A S E -ac 8 33A 0 -74,-2.2 -72,-3.6 -2,-0.4 2,-0.5 -0.998 9.9-153.1-129.0 130.6 -2.3 3.3 22.1 82 84 A L E -ac 9 34A 0 -49,-3.0 -47,-2.3 -2,-0.4 2,-0.4 -0.898 12.7-175.9-100.5 120.3 -2.7 -0.4 21.2 83 85 A I E -ac 10 35A 2 -74,-3.6 -72,-2.2 -2,-0.5 2,-0.6 -0.955 16.7-143.0-118.5 128.6 0.3 -2.7 21.2 84 86 A V E +ac 11 36A 2 -49,-2.6 -47,-1.5 -2,-0.4 2,-0.3 -0.794 35.9 147.5 -94.8 126.3 0.2 -6.3 20.1 85 87 A C - 0 0 2 -74,-2.9 -72,-0.1 -2,-0.6 -2,-0.1 -0.938 45.6-144.4-158.5 126.6 2.3 -8.6 22.1 86 88 A S - 0 0 18 -2,-0.3 -73,-2.3 -74,-0.3 -1,-0.1 0.964 31.2-178.5 -51.1 -57.1 1.8 -12.3 22.9 87 89 A A + 0 0 0 -75,-0.2 53,-0.2 -3,-0.1 6,-0.1 0.889 9.4 167.4 56.9 49.6 3.3 -11.6 26.3 88 90 A L + 0 0 5 51,-0.1 52,-2.2 -75,-0.1 2,-0.3 0.940 54.8 58.3 -63.8 -45.8 3.1 -15.2 27.5 89 91 A K S >> S- 0 0 46 50,-0.2 4,-1.7 1,-0.1 3,-0.6 -0.624 79.8-129.4 -91.3 140.9 5.3 -14.9 30.5 90 92 A K H >> S+ 0 0 65 -2,-0.3 4,-3.3 1,-0.2 3,-0.6 0.908 108.8 58.4 -42.5 -55.4 4.9 -12.6 33.5 91 93 A H H 3> S+ 0 0 115 1,-0.3 4,-3.5 2,-0.3 -1,-0.2 0.875 103.1 52.3 -49.1 -45.3 8.5 -11.3 33.2 92 94 A Y H <> S+ 0 0 5 -3,-0.6 4,-1.6 2,-0.2 -1,-0.3 0.920 111.9 46.6 -54.5 -45.4 7.8 -10.2 29.6 93 95 A R H < S+ 0 0 46 -4,-2.2 3,-3.6 -3,-0.2 -2,-0.2 0.810 83.6 110.3 -66.6 -38.3 5.3 -2.2 32.5 98 100 A E T 3< S- 0 0 132 -4,-2.2 -4,-0.0 1,-0.3 -3,-0.0 -0.205 98.4 -2.3 -48.6 118.0 8.7 -1.1 33.6 99 101 A G T 3 S+ 0 0 46 1,-0.1 -1,-0.3 -27,-0.0 3,-0.1 0.315 120.0 88.8 82.1 -9.2 8.8 2.6 33.1 100 102 A N X + 0 0 1 -3,-3.6 3,-1.1 1,-0.1 -92,-0.1 -0.609 39.0 160.5-123.7 75.0 5.3 2.6 31.7 101 103 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.637 73.7 66.2 -70.1 -13.4 2.8 2.9 34.5 102 104 A N T 3 S+ 0 0 6 -3,-0.1 -94,-2.3 -5,-0.1 2,-0.4 -0.021 87.0 92.3 -97.9 31.5 0.2 4.0 32.0 103 105 A L E < +b 8 0A 6 -3,-1.1 -94,-0.2 -96,-0.2 2,-0.2 -0.984 44.8 168.2-133.6 129.6 0.1 0.6 30.3 104 106 A S E -b 9 0A 11 -96,-2.1 -94,-2.9 -2,-0.4 2,-0.3 -0.641 28.8-110.6-127.1 179.9 -2.1 -2.4 30.8 105 107 A F E -bd 10 149A 0 43,-2.4 45,-2.0 -96,-0.2 2,-0.5 -0.842 9.3-159.0-116.1 154.9 -2.9 -5.7 29.1 106 108 A I E -bd 11 150A 0 -96,-2.6 -94,-1.4 -2,-0.3 2,-0.5 -0.937 18.2-160.9-129.7 104.9 -6.0 -6.9 27.3 107 109 A Y E -bd 12 151A 11 43,-2.6 45,-2.1 -2,-0.5 2,-0.6 -0.774 4.8-158.6 -87.2 129.7 -5.8 -10.7 27.2 108 110 A L E - d 0 152A 1 -96,-1.6 2,-0.4 -2,-0.5 45,-0.2 -0.978 25.9-171.2-104.0 117.1 -8.0 -12.2 24.6 109 111 A K E + d 0 153A 83 43,-2.2 45,-0.8 -2,-0.6 46,-0.3 -0.939 23.3 145.8-127.8 137.5 -8.4 -15.7 25.9 110 112 A G - 0 0 12 -2,-0.4 2,-0.2 43,-0.1 -2,-0.0 -0.927 42.5-104.9-146.3 165.4 -9.9 -19.0 24.5 111 113 A D >> - 0 0 109 -2,-0.3 3,-2.4 1,-0.1 4,-1.1 -0.545 45.5 -87.1 -96.1 167.7 -9.0 -22.6 24.9 112 114 A F H >> S+ 0 0 49 1,-0.3 4,-2.8 2,-0.2 3,-0.8 0.800 124.5 54.7 -39.9 -48.0 -7.3 -24.8 22.4 113 115 A D H 3> S+ 0 0 123 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.792 108.4 51.4 -63.3 -24.5 -10.6 -25.9 20.6 114 116 A V H <> S+ 0 0 16 -3,-2.4 4,-1.0 2,-0.2 -1,-0.3 0.685 112.1 42.8 -83.5 -27.6 -11.6 -22.2 20.1 115 117 A I H < S+ 0 0 98 -4,-1.0 3,-0.5 1,-0.2 -1,-0.3 0.834 111.7 48.1 -72.4 -31.9 -11.0 -19.8 14.6 119 121 A L H >< S+ 0 0 39 -4,-2.6 3,-1.1 -3,-0.4 -2,-0.2 0.823 106.0 57.6 -74.9 -32.5 -7.8 -20.7 12.8 120 122 A K T 3< S+ 0 0 111 -4,-2.3 -1,-0.2 -5,-0.3 4,-0.2 0.563 86.7 80.5 -76.1 -5.2 -9.7 -23.2 10.6 121 123 A A T < S+ 0 0 84 -3,-0.5 2,-0.9 -4,-0.3 -1,-0.2 0.663 72.2 83.5 -76.3 -16.7 -12.0 -20.4 9.4 122 124 A R S X S- 0 0 181 -3,-1.1 3,-2.3 -4,-0.2 -1,-0.0 -0.805 100.0-110.4 -84.2 111.1 -9.5 -19.2 6.9 123 125 A K T 3 S+ 0 0 208 -2,-0.9 3,-0.1 1,-0.3 -2,-0.1 -0.136 92.5 0.4 -49.5 130.3 -10.2 -21.6 4.0 124 126 A G T 3 S+ 0 0 82 1,-0.2 2,-0.4 -4,-0.2 -1,-0.3 0.443 89.4 149.6 75.2 1.5 -7.4 -24.2 3.4 125 127 A H < - 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