==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 12-SEP-12 4H2M . COMPND 2 MOLECULE: UNDECAPRENYL PYROPHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR W.ZHU,E.OLDFIELD . 427 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20085.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 322 75.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 57 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 22 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 158 37.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.9 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 2 2 2 0 2 0 0 0 1 3 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 5 3 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 1 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 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 15 A A 0 0 148 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -45.4 24.5 13.6 52.5 2 16 A H - 0 0 28 2,-0.1 3,-0.1 1,-0.1 0, 0.0 0.743 360.0-135.5 -69.3 -19.2 24.4 17.4 52.4 3 17 A G + 0 0 51 1,-0.2 2,-0.6 2,-0.0 -1,-0.1 0.470 58.7 130.5 90.0 -2.7 25.4 17.1 48.7 4 18 A C + 0 0 5 1,-0.2 -1,-0.2 161,-0.0 45,-0.2 -0.814 23.8 166.8 -96.8 120.3 28.1 19.8 48.8 5 19 A R S S+ 0 0 114 -2,-0.6 45,-1.9 1,-0.3 44,-1.5 0.775 73.8 26.8 -90.2 -34.6 31.5 19.2 47.4 6 20 A H E -a 50 0A 1 157,-0.3 159,-2.4 43,-0.2 160,-1.5 -0.985 63.7-176.1-138.4 121.7 32.9 22.8 47.2 7 21 A V E -ab 51 166A 0 43,-2.4 45,-2.2 -2,-0.4 2,-0.4 -0.935 6.6-163.4-114.6 141.7 31.7 25.7 49.5 8 22 A A E -ab 52 167A 0 158,-2.8 160,-2.6 -2,-0.4 2,-0.4 -0.943 7.8-159.3-125.2 144.6 33.1 29.2 49.0 9 23 A I E -ab 53 168A 0 43,-2.7 45,-2.7 -2,-0.4 2,-0.7 -0.990 18.5-154.3-132.1 127.8 32.7 31.9 51.8 10 24 A I E -ab 54 169A 0 158,-3.2 160,-1.9 -2,-0.4 2,-1.4 -0.918 25.1-152.1 -94.5 108.7 32.8 35.7 51.7 11 25 A M E +a 55 0A 6 43,-2.5 45,-0.6 -2,-0.7 3,-0.4 -0.470 31.7 158.4 -87.4 68.3 33.9 36.3 55.3 12 26 A D + 0 0 4 -2,-1.4 184,-1.7 158,-0.5 45,-0.2 -0.549 37.5 56.6 -97.9 152.3 32.4 39.7 56.1 13 27 A G > + 0 0 4 43,-0.2 4,-2.4 182,-0.2 -1,-0.2 0.380 57.4 118.3 118.3 -7.7 31.6 41.4 59.4 14 28 A N H > S+ 0 0 22 -3,-0.4 4,-2.1 42,-0.4 5,-0.2 0.922 83.8 45.6 -56.3 -47.0 35.0 41.3 61.4 15 29 A G H > S+ 0 0 14 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.916 115.1 47.2 -61.0 -46.1 35.0 45.2 61.6 16 30 A R H > S+ 0 0 45 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.881 109.7 53.1 -62.2 -38.3 31.4 45.4 62.6 17 31 A W H X S+ 0 0 46 -4,-2.4 4,-1.0 2,-0.2 -1,-0.2 0.914 112.0 45.1 -66.7 -42.1 31.8 42.7 65.2 18 32 A A H ><>S+ 0 0 0 -4,-2.1 5,-2.9 2,-0.2 3,-0.7 0.927 110.9 53.2 -69.2 -41.6 34.7 44.6 66.9 19 33 A K H ><5S+ 0 0 172 -4,-2.4 3,-1.9 1,-0.3 -2,-0.2 0.937 105.8 54.7 -59.0 -44.2 32.8 48.0 66.7 20 34 A K H 3<5S+ 0 0 161 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.808 109.5 48.2 -55.9 -33.6 29.8 46.3 68.5 21 35 A Q T <<5S- 0 0 107 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.330 116.5-113.4 -80.8 -0.8 32.3 45.3 71.3 22 36 A G T < 5S+ 0 0 74 -3,-1.9 2,-0.3 -4,-0.3 -3,-0.2 0.765 77.5 130.7 59.0 27.8 33.8 48.8 71.6 23 37 A K < - 0 0 91 -5,-2.9 -1,-0.2 -6,-0.2 -2,-0.1 -0.771 61.7-106.5-110.7 156.3 37.0 47.3 70.3 24 38 A I >> - 0 0 119 -2,-0.3 3,-1.8 -3,-0.1 4,-0.7 -0.315 42.3 -95.4 -72.4 163.4 39.4 48.3 67.5 25 39 A R H >> S+ 0 0 173 1,-0.3 4,-2.1 2,-0.2 3,-0.9 0.788 117.4 67.4 -50.7 -40.9 39.6 46.5 64.1 26 40 A A H 3> S+ 0 0 59 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.797 96.8 54.3 -49.9 -35.8 42.5 44.2 65.2 27 41 A F H <> S+ 0 0 107 -3,-1.8 4,-1.8 2,-0.2 -1,-0.3 0.829 106.6 50.2 -72.4 -31.2 40.3 42.4 67.7 28 42 A G H <>S+ 0 0 0 -4,-2.6 5,-1.6 1,-0.2 3,-0.8 0.920 111.2 51.2 -62.2 -46.2 34.6 21.4 56.6 44 58 A A H 3<5S+ 0 0 42 -4,-2.7 3,-0.5 1,-0.2 -1,-0.2 0.809 114.5 46.4 -59.6 -33.5 37.5 18.9 56.9 45 59 A N H 3<5S+ 0 0 130 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.527 107.5 55.7 -86.5 -11.2 35.2 16.9 59.3 46 60 A N T <<5S- 0 0 69 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.058 113.7-102.4-114.2 25.3 32.1 17.0 57.2 47 61 A G T 5 + 0 0 63 -3,-0.5 2,-0.2 1,-0.2 -3,-0.1 0.589 65.2 152.7 74.0 13.9 33.3 15.5 54.0 48 62 A I < - 0 0 7 -5,-1.6 -1,-0.2 -6,-0.2 -43,-0.2 -0.530 33.1-156.3 -72.8 136.7 33.6 18.8 52.0 49 63 A E S S+ 0 0 86 -44,-1.5 64,-2.7 1,-0.3 2,-0.4 0.860 72.6 17.3 -77.2 -37.1 36.3 18.4 49.2 50 64 A A E -ac 6 113A 2 -45,-1.9 -43,-2.4 62,-0.2 2,-0.4 -1.000 55.0-172.1-143.8 140.5 37.1 22.1 48.8 51 65 A L E -ac 7 114A 0 62,-2.3 64,-2.6 -2,-0.4 2,-0.5 -0.999 10.0-165.7-132.5 126.9 36.6 25.3 50.8 52 66 A T E -ac 8 115A 0 -45,-2.2 -43,-2.7 -2,-0.4 2,-0.4 -0.976 7.7-160.8-122.4 126.1 37.5 28.6 49.2 53 67 A L E -ac 9 116A 4 62,-2.7 64,-2.9 -2,-0.5 2,-0.6 -0.883 10.7-169.1-117.2 130.6 37.8 31.7 51.5 54 68 A Y E -a 10 0A 31 -45,-2.7 -43,-2.5 -2,-0.4 2,-0.5 -0.954 15.8-148.3-118.1 116.3 37.6 35.4 50.6 55 69 A A E +a 11 0A 45 -2,-0.6 2,-0.3 62,-0.4 -43,-0.1 -0.658 33.7 158.9 -84.6 122.5 38.7 37.7 53.4 56 70 A F - 0 0 59 -45,-0.6 -42,-0.4 -2,-0.5 2,-0.3 -0.993 27.3-167.4-147.9 141.8 36.6 40.9 52.9 57 71 A S 0 0 57 -2,-0.3 -45,-0.1 -45,-0.2 -2,-0.0 -0.873 360.0 360.0-132.8 112.2 35.6 43.8 55.2 58 72 A S 0 0 98 -2,-0.3 -43,-0.1 113,-0.0 -45,-0.1 -0.026 360.0 360.0 -71.6 360.0 32.9 46.3 54.0 59 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 60 85 A L > 0 0 104 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -47.9 46.2 44.4 55.2 61 86 A M H >> + 0 0 56 2,-0.2 4,-1.9 1,-0.2 3,-0.9 0.995 360.0 40.0 -56.1 -67.9 46.0 41.9 52.3 62 87 A E H 3> S+ 0 0 33 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.752 116.1 54.1 -58.1 -24.3 49.7 40.9 52.3 63 88 A L H 3> S+ 0 0 118 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.837 103.3 54.7 -78.7 -32.5 49.5 41.0 56.1 64 89 A F H < S+ 0 0 58 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.898 104.2 55.6 -54.6 -44.9 49.4 35.7 59.2 68 93 A L H >X S+ 0 0 20 -4,-2.0 3,-2.9 1,-0.2 4,-0.6 0.847 94.7 69.7 -60.2 -33.7 48.3 32.6 57.3 69 94 A D H >< S+ 0 0 57 -4,-1.3 3,-1.2 -3,-0.4 4,-0.4 0.876 92.6 57.5 -53.8 -40.4 52.0 31.5 57.1 70 95 A S T << S+ 0 0 97 -4,-0.9 -1,-0.3 -3,-0.9 4,-0.2 0.548 107.5 49.0 -63.3 -8.7 51.9 30.9 60.9 71 96 A E T <> S+ 0 0 44 -3,-2.9 4,-2.3 -4,-0.2 -1,-0.2 0.472 83.7 91.7-107.9 -9.7 49.0 28.4 60.3 72 97 A V H S+ 0 0 142 -4,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.923 111.5 49.7 -66.5 -39.2 52.2 23.7 59.8 74 99 A S H > S+ 0 0 52 -4,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.905 110.1 49.3 -62.9 -44.2 48.8 23.2 61.5 75 100 A L H ><>S+ 0 0 16 -4,-2.3 5,-2.3 2,-0.2 3,-1.3 0.935 110.5 52.7 -59.6 -44.7 47.0 22.8 58.2 76 101 A H H ><5S+ 0 0 66 -4,-2.6 3,-1.9 1,-0.3 -2,-0.2 0.938 106.3 52.2 -59.8 -44.1 49.6 20.3 57.1 77 102 A R H 3<5S+ 0 0 190 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.632 106.8 53.0 -64.4 -17.6 49.1 18.3 60.3 78 103 A H T <<5S- 0 0 114 -3,-1.3 34,-0.3 -4,-0.7 -1,-0.3 0.184 118.5-111.4-103.1 16.8 45.3 18.2 59.6 79 104 A N T < 5 + 0 0 63 -3,-1.9 32,-2.0 1,-0.2 2,-0.4 0.783 64.1 155.9 64.5 27.9 46.0 16.8 56.1 80 105 A V < - 0 0 0 -5,-2.3 2,-0.6 31,-0.1 -1,-0.2 -0.783 40.5-140.3 -88.7 131.4 44.8 20.0 54.3 81 106 A R E -d 113 0A 63 31,-2.8 33,-3.0 -2,-0.4 2,-0.4 -0.865 24.1-152.2 -88.9 116.2 46.0 20.8 50.9 82 107 A L E +d 114 0A 3 -2,-0.6 2,-0.4 20,-0.3 33,-0.2 -0.764 20.6 168.3 -99.3 130.3 46.6 24.7 50.8 83 108 A R E -d 115 0A 64 31,-2.5 33,-2.5 -2,-0.4 2,-0.4 -0.999 22.9-146.0-135.7 144.3 46.4 26.9 47.6 84 109 A I E -d 116 0A 24 -2,-0.4 2,-0.4 31,-0.2 33,-0.2 -0.880 15.9-166.1-103.1 135.2 46.4 30.7 47.2 85 110 A I E +d 117 0A 14 31,-2.2 33,-2.6 -2,-0.4 2,-0.2 -0.975 44.4 61.9-121.4 139.0 44.3 32.0 44.4 86 111 A G S S- 0 0 13 -2,-0.4 2,-1.1 31,-0.2 34,-0.3 -0.781 95.8 -51.5 137.6-179.1 44.7 35.6 43.2 87 112 A D + 0 0 50 32,-2.6 3,-0.3 -2,-0.2 -2,-0.1 -0.761 58.3 155.8 -95.1 94.4 47.3 37.9 41.6 88 113 A T > + 0 0 33 -2,-1.1 3,-1.7 1,-0.2 -1,-0.2 0.240 39.9 108.3-102.8 12.7 50.3 37.5 44.0 89 114 A S T 3 S+ 0 0 84 1,-0.3 -1,-0.2 -3,-0.0 -2,-0.0 0.583 81.2 43.3 -70.8 -16.0 52.8 38.4 41.3 90 115 A R T 3 S+ 0 0 92 -3,-0.3 2,-0.3 2,-0.1 -1,-0.3 0.033 84.6 102.9-113.0 24.3 53.6 41.8 42.8 91 116 A F S < S- 0 0 25 -3,-1.7 -3,-0.0 1,-0.2 0, 0.0 -0.669 89.8-105.2 -92.6 153.9 53.8 40.5 46.3 92 117 A N > - 0 0 74 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.244 30.0 -89.4 -79.4-160.6 57.4 40.5 46.6 93 118 A S H > S+ 0 0 95 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.789 118.2 55.8 -75.5 -26.4 59.7 37.6 46.4 94 119 A R H > S+ 0 0 58 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.944 115.3 40.2 -69.4 -41.9 60.0 36.6 50.1 95 120 A L H > S+ 0 0 12 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.918 114.0 53.4 -64.4 -47.5 56.2 36.3 50.3 96 121 A Q H X S+ 0 0 58 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.840 110.2 49.2 -59.0 -33.1 55.9 34.6 47.0 97 122 A E H X S+ 0 0 92 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.906 109.0 48.8 -77.5 -43.5 58.5 32.1 48.0 98 123 A R H X S+ 0 0 106 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.892 111.5 52.7 -59.6 -41.4 56.9 31.2 51.3 99 124 A I H X S+ 0 0 16 -4,-2.6 4,-2.1 2,-0.2 5,-0.2 0.970 110.2 47.9 -55.7 -53.2 53.6 30.9 49.4 100 125 A R H X S+ 0 0 167 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.894 112.5 47.8 -55.9 -43.9 55.4 28.5 47.0 101 126 A K H X S+ 0 0 126 -4,-2.6 4,-3.2 1,-0.2 -1,-0.2 0.886 110.9 51.6 -68.7 -34.9 56.9 26.4 49.8 102 127 A S H X S+ 0 0 16 -4,-2.3 4,-1.3 2,-0.2 -20,-0.3 0.860 111.3 46.5 -71.7 -35.0 53.6 26.2 51.6 103 128 A E H X S+ 0 0 56 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.943 114.0 48.9 -69.5 -44.8 51.8 25.0 48.5 104 129 A A H >< S+ 0 0 73 -4,-2.5 3,-0.7 -5,-0.2 4,-0.4 0.932 109.2 53.3 -58.1 -45.7 54.6 22.5 47.8 105 130 A L H 3< S+ 0 0 82 -4,-3.2 3,-0.3 1,-0.2 -1,-0.2 0.853 119.3 32.1 -55.7 -44.4 54.6 21.2 51.4 106 131 A T H >< S+ 0 0 0 -4,-1.3 3,-2.4 -3,-0.2 -1,-0.2 0.476 87.7 98.3 -98.6 2.0 50.9 20.4 51.4 107 132 A A T << S+ 0 0 59 -4,-1.2 -1,-0.2 -3,-0.7 -2,-0.1 0.815 82.2 56.8 -65.3 -27.9 50.3 19.4 47.8 108 133 A G T 3 S+ 0 0 63 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.568 82.6 116.4 -75.6 -7.0 50.5 15.8 48.7 109 134 A N < - 0 0 24 -3,-2.4 -28,-0.1 -29,-0.2 -29,-0.1 -0.382 49.3-160.9 -75.5 146.4 47.7 16.0 51.3 110 135 A T + 0 0 120 -2,-0.1 -30,-0.1 -30,-0.1 -1,-0.1 0.339 63.0 74.8-108.1 2.6 44.5 14.1 50.8 111 136 A G S S- 0 0 35 -32,-2.0 -31,-0.1 1,-0.3 -30,-0.1 0.208 97.6 -13.1 -90.1-139.7 41.9 15.8 53.1 112 137 A L - 0 0 4 -34,-0.3 -31,-2.8 -72,-0.1 2,-0.6 -0.252 58.7-136.5 -58.4 143.0 40.2 19.1 52.4 113 138 A T E -cd 50 81A 8 -64,-2.7 -62,-2.3 -33,-0.2 2,-0.5 -0.896 22.6-162.8 -98.2 123.0 41.6 21.4 49.7 114 139 A L E -cd 51 82A 3 -33,-3.0 -31,-2.5 -2,-0.6 2,-0.5 -0.967 5.6-168.3-112.0 121.8 41.6 24.9 51.1 115 140 A N E -cd 52 83A 1 -64,-2.6 -62,-2.7 -2,-0.5 2,-0.5 -0.928 3.9-163.5-111.3 125.3 41.9 27.9 48.6 116 141 A I E -cd 53 84A 6 -33,-2.5 -31,-2.2 -2,-0.5 2,-0.3 -0.954 15.2-136.6-111.5 124.7 42.6 31.3 50.2 117 142 A A E + d 0 85A 9 -64,-2.9 -62,-0.4 -2,-0.5 2,-0.4 -0.564 26.4 175.6 -79.4 132.3 42.0 34.3 47.9 118 143 A A S S- 0 0 5 -33,-2.6 3,-0.1 -2,-0.3 -31,-0.0 -0.938 75.5 -12.3-140.0 119.4 44.7 36.9 48.1 119 144 A N S S+ 0 0 96 -2,-0.4 -32,-2.6 1,-0.2 2,-0.3 0.917 101.4 156.9 53.0 46.6 44.5 39.9 45.8 120 145 A Y + 0 0 15 -34,-0.3 2,-0.3 -35,-0.1 -1,-0.2 -0.781 22.4 172.1-105.5 141.0 41.7 37.9 44.0 121 146 A G > - 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0 0 5 -6,-1.1 -2,-0.2 -9,-0.1 -1,-0.1 -0.987 68.2-140.7-135.5 134.6 44.6 27.7 18.9 143 168 A Q >> - 0 0 75 -2,-0.4 3,-2.1 1,-0.1 4,-0.5 -0.785 22.1-129.4 -90.8 137.2 41.9 28.9 16.5 144 169 A P G >4 S+ 0 0 12 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.871 107.7 55.0 -52.0 -36.2 39.6 31.7 17.8 145 170 A D G 34 S+ 0 0 114 1,-0.3 202,-0.1 205,-0.1 206,-0.0 0.567 97.5 62.8 -82.5 -1.7 36.5 29.7 16.7 146 171 A Q G <4 S+ 0 0 103 -3,-2.1 2,-0.4 201,-0.1 -1,-0.3 0.566 79.6 105.5 -86.5 -9.7 37.6 26.6 18.7 147 172 A I << + 0 0 1 -3,-1.4 2,-0.3 -4,-0.5 200,-0.1 -0.581 46.9 155.5 -74.1 117.0 37.2 28.7 21.9 148 173 A D > - 0 0 66 -2,-0.4 4,-2.3 1,-0.0 5,-0.2 -0.804 59.0 -88.3-129.7-176.0 34.1 27.7 23.7 149 174 A E H > S+ 0 0 50 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.901 124.4 55.2 -61.8 -43.3 32.8 27.8 27.3 150 175 A E H > S+ 0 0 126 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.903 109.1 49.0 -59.7 -35.8 34.4 24.4 28.1 151 176 A M H 4 S+ 0 0 44 1,-0.2 3,-0.3 2,-0.2 4,-0.3 0.945 112.1 44.6 -75.3 -44.1 37.7 25.7 27.0 152 177 A L H >< S+ 0 0 0 -4,-2.3 3,-1.9 1,-0.2 4,-0.3 0.917 108.4 61.5 -64.7 -31.1 37.6 29.0 29.0 153 178 A N H >< S+ 0 0 46 -4,-3.1 3,-1.1 1,-0.3 -1,-0.2 0.868 98.0 57.3 -56.1 -35.9 36.4 26.8 31.9 154 179 A Q T 3< S+ 0 0 97 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.497 107.6 49.7 -78.8 -2.5 39.7 24.9 31.8 155 180 A H T < S+ 0 0 29 -3,-1.9 -1,-0.3 -4,-0.3 2,-0.2 0.359 88.2 89.5-113.7 -1.4 41.6 28.1 32.3 156 181 A V S X S- 0 0 2 -3,-1.1 3,-1.5 -4,-0.3 -30,-0.1 -0.676 91.6 -75.4 -94.3 163.4 40.0 29.9 35.3 157 182 A C T 3 S+ 0 0 23 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.1 -0.154 115.6 13.3 -57.9 141.2 41.1 29.3 39.0 158 183 A M T > S+ 0 0 15 1,-0.1 3,-2.0 -3,-0.1 -1,-0.2 0.552 77.4 141.8 75.4 13.1 40.0 26.1 40.5 159 184 A H T < + 0 0 73 -3,-1.5 -2,-0.1 1,-0.3 -1,-0.1 0.777 69.9 54.8 -57.0 -26.7 39.0 24.5 37.2 160 185 A E T 3 S+ 0 0 100 -6,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.551 98.2 78.7 -86.5 -9.3 40.3 21.1 38.3 161 186 A L S < S- 0 0 23 -3,-2.0 3,-0.1 1,-0.2 -155,-0.1 -0.527 99.8 -75.8 -90.6 167.1 38.3 21.0 41.5 162 187 A A - 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