==== 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 OXIDOREDUCTASE 15-SEP-06 2IDZ . COMPND 2 MOLECULE: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH]; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR M.V.B.DIAS,M.P.X.PRADO,I.B.VASCONCELOS,F.VALMIR,L.A.BASSO,D. . 268 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12119.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 198 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 12.3 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 34.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 1 0 2 1 0 1 3 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 1 2 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 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 0 0 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 2 A T 0 0 129 0, 0.0 2,-0.0 0, 0.0 30,-0.0 0.000 360.0 360.0 360.0 73.9 -9.1 -58.6 23.1 2 3 A G > - 0 0 29 2,-0.1 3,-1.2 3,-0.1 29,-0.1 0.345 360.0-120.0 96.8 124.3 -7.7 -55.4 21.9 3 4 A L T 3 S+ 0 0 62 1,-0.3 244,-0.4 243,-0.1 29,-0.1 0.878 117.4 32.5 -59.2 -36.3 -4.3 -54.1 23.0 4 5 A L T > S+ 0 0 0 27,-1.7 3,-2.4 24,-0.3 -1,-0.3 -0.072 84.7 167.9-116.2 27.6 -5.9 -51.1 24.5 5 6 A D T < S- 0 0 109 -3,-1.2 28,-0.2 1,-0.3 27,-0.1 -0.216 72.6 -1.9 -52.1 113.9 -9.1 -52.7 25.6 6 7 A G T 3 S+ 0 0 48 26,-1.7 2,-0.3 1,-0.3 -1,-0.3 0.383 95.8 136.2 90.2 -4.1 -11.0 -50.3 27.9 7 8 A K < - 0 0 28 -3,-2.4 27,-3.3 25,-0.1 2,-0.6 -0.580 49.0-141.6 -81.0 139.8 -8.3 -47.5 28.0 8 9 A R E -a 34 0A 58 78,-0.3 80,-3.9 -2,-0.3 81,-1.8 -0.916 28.9-179.1 -98.2 121.2 -9.3 -43.9 27.7 9 10 A I E -ab 35 89A 0 25,-2.5 27,-1.9 -2,-0.6 2,-0.4 -0.987 22.2-147.5-133.2 126.4 -6.8 -42.2 25.5 10 11 A L E -ab 36 90A 0 79,-2.6 81,-2.8 -2,-0.4 2,-0.5 -0.807 16.9-166.2 -90.7 131.3 -6.5 -38.6 24.4 11 12 A V E -ab 37 91A 0 25,-2.5 27,-2.2 -2,-0.4 3,-0.3 -0.978 6.0-176.6-127.1 114.9 -5.0 -38.1 21.0 12 13 A S + 0 0 0 79,-2.7 27,-0.2 -2,-0.5 82,-0.0 -0.554 54.0 55.1 -93.2 167.9 -3.8 -34.7 19.8 13 14 A G + 0 0 21 25,-0.4 2,-0.5 1,-0.3 8,-0.4 0.500 56.1 144.1 92.8 8.1 -2.4 -33.8 16.4 14 15 A I + 0 0 3 24,-0.8 26,-0.4 -3,-0.3 -1,-0.3 -0.718 8.0 140.3 -77.8 124.7 -5.0 -34.9 13.9 15 16 A I + 0 0 69 1,-0.6 2,-0.3 -2,-0.5 -1,-0.2 0.510 70.0 11.1-131.2 -30.5 -5.2 -32.4 11.0 16 17 A T S > S- 0 0 27 33,-0.1 3,-1.1 34,-0.0 -1,-0.6 -0.871 81.2-103.0-136.2 173.2 -5.6 -34.5 7.9 17 18 A D T 3 S+ 0 0 102 -2,-0.3 -3,-0.0 1,-0.2 178,-0.0 0.546 123.4 56.9 -77.5 -4.3 -6.3 -38.2 7.3 18 19 A S T 3 S+ 0 0 31 4,-0.1 -1,-0.2 5,-0.0 5,-0.0 0.449 79.8 121.1 -98.9 -3.5 -2.6 -38.7 6.6 19 20 A S S X> S- 0 0 7 -3,-1.1 4,-1.3 1,-0.1 3,-0.5 -0.325 72.1-128.8 -50.9 135.1 -1.7 -37.2 10.1 20 21 A I H 3> S+ 0 0 31 1,-0.2 4,-2.8 2,-0.2 3,-0.2 0.906 111.4 58.5 -52.1 -40.4 0.4 -39.7 12.1 21 22 A A H 3> S+ 0 0 0 -8,-0.4 4,-3.3 1,-0.2 -1,-0.2 0.853 98.0 59.3 -61.9 -31.5 -2.2 -39.0 15.0 22 23 A F H <> S+ 0 0 16 -3,-0.5 4,-2.8 -6,-0.3 -1,-0.2 0.948 110.1 41.8 -61.6 -46.2 -5.0 -40.2 12.6 23 24 A H H X S+ 0 0 36 -4,-1.3 4,-2.8 2,-0.2 5,-0.3 0.894 112.8 53.1 -67.4 -40.0 -3.4 -43.5 12.3 24 25 A I H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.944 112.6 45.7 -56.3 -50.6 -2.5 -43.6 16.0 25 26 A A H X S+ 0 0 0 -4,-3.3 4,-2.9 2,-0.2 5,-0.2 0.925 113.4 49.0 -58.0 -47.2 -6.3 -42.9 16.7 26 27 A R H X S+ 0 0 50 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.937 115.4 42.5 -61.7 -47.9 -7.5 -45.5 14.2 27 28 A V H X S+ 0 0 8 -4,-2.8 4,-1.2 2,-0.2 -1,-0.2 0.888 112.6 54.0 -65.2 -41.2 -5.2 -48.2 15.5 28 29 A A H <>S+ 0 0 0 -4,-2.6 5,-2.3 -5,-0.3 3,-0.5 0.939 112.1 44.7 -58.8 -47.6 -5.9 -47.3 19.1 29 30 A Q H ><5S+ 0 0 19 -4,-2.9 3,-2.1 1,-0.3 -2,-0.2 0.902 109.0 56.0 -64.4 -37.9 -9.7 -47.7 18.4 30 31 A E H 3<5S+ 0 0 100 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.782 107.4 52.1 -61.3 -25.7 -9.1 -50.9 16.5 31 32 A Q T 3<5S- 0 0 63 -4,-1.2 -27,-1.7 -3,-0.5 -1,-0.3 0.271 128.2 -98.3-100.3 9.6 -7.5 -52.0 19.7 32 33 A G T < 5S+ 0 0 34 -3,-2.1 -26,-1.7 1,-0.3 -3,-0.2 0.525 71.4 146.6 97.3 5.8 -10.4 -51.1 21.9 33 34 A A < - 0 0 8 -5,-2.3 2,-0.6 -28,-0.2 -1,-0.3 -0.532 45.1-133.9 -73.5 142.9 -9.3 -47.7 23.2 34 35 A Q E -a 8 0A 81 -27,-3.3 -25,-2.5 -30,-0.2 2,-0.3 -0.888 32.8-147.6 -95.0 125.7 -11.9 -45.1 23.9 35 36 A L E -a 9 0A 1 -2,-0.6 2,-0.4 21,-0.3 -25,-0.2 -0.618 28.9-174.6-108.0 146.0 -10.7 -41.8 22.5 36 37 A V E -a 10 0A 0 -27,-1.9 -25,-2.5 -2,-0.3 2,-0.3 -0.991 25.4-156.1-119.5 137.5 -10.9 -38.2 23.1 37 38 A L E -ac 11 59A 0 21,-3.4 23,-3.5 -2,-0.4 2,-0.4 -0.824 8.1-157.0-113.6 149.0 -9.3 -36.1 20.4 38 39 A T E - c 0 60A 2 -27,-2.2 -24,-0.8 -2,-0.3 -25,-0.4 -0.959 13.6-173.3-120.8 147.0 -7.9 -32.7 20.5 39 40 A G E - c 0 61A 2 21,-2.2 23,-2.9 -2,-0.4 2,-0.6 -0.967 18.9-126.4-137.2 153.7 -7.6 -30.5 17.5 40 41 A F - 0 0 107 -26,-0.4 2,-2.8 -2,-0.3 23,-0.1 -0.895 66.0 -44.6-107.7 123.7 -6.0 -27.2 16.7 41 42 A D S S+ 0 0 105 -2,-0.6 2,-0.9 1,-0.1 3,-0.2 -0.211 121.6 66.0 74.9 -54.3 -7.8 -24.3 15.1 42 43 A R > + 0 0 143 -2,-2.8 4,-2.3 1,-0.2 -1,-0.1 -0.569 56.3 155.5-103.9 66.4 -9.7 -26.0 12.2 43 44 A L H > + 0 0 39 -2,-0.9 4,-2.8 2,-0.2 -1,-0.2 0.775 68.9 55.6 -74.6 -25.3 -12.1 -28.1 14.3 44 45 A R H > S+ 0 0 224 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.969 112.4 45.1 -64.7 -52.2 -14.9 -28.4 11.6 45 46 A L H > S+ 0 0 29 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.920 114.1 49.6 -49.9 -48.4 -12.3 -29.8 9.3 46 47 A I H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.903 108.9 50.9 -69.3 -39.5 -10.9 -32.1 12.1 47 48 A Q H X S+ 0 0 70 -4,-2.8 4,-1.7 2,-0.2 -1,-0.2 0.943 110.4 49.6 -58.0 -45.7 -14.4 -33.4 13.0 48 49 A R H < S+ 0 0 133 -4,-2.3 3,-0.3 1,-0.2 4,-0.3 0.943 114.0 46.5 -60.8 -45.2 -15.0 -34.2 9.3 49 50 A I H >< S+ 0 0 9 -4,-2.7 3,-1.5 1,-0.2 -1,-0.2 0.930 112.4 49.0 -55.8 -51.7 -11.6 -36.0 9.1 50 51 A T H >< S+ 0 0 5 -4,-2.9 3,-2.1 1,-0.3 -1,-0.2 0.708 90.0 79.4 -75.4 -13.2 -12.2 -37.9 12.4 51 52 A D T 3< S+ 0 0 103 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.733 87.3 63.6 -57.7 -22.1 -15.7 -39.1 11.3 52 53 A R T < S+ 0 0 161 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.522 78.0 108.5 -81.5 -11.2 -13.8 -41.7 9.3 53 54 A L S < S- 0 0 9 -3,-2.1 -27,-0.1 2,-0.1 -30,-0.0 -0.360 86.4-112.7 -59.9 144.5 -12.3 -43.2 12.5 54 55 A P S S+ 0 0 83 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.740 100.1 30.6 -58.3 -17.0 -13.8 -46.7 13.3 55 56 A A S S- 0 0 46 -5,-0.2 -2,-0.1 2,-0.0 2,-0.1 -0.954 91.5-101.5-137.1 154.1 -15.5 -45.2 16.4 56 57 A K - 0 0 178 -2,-0.3 -21,-0.3 -4,-0.1 -5,-0.1 -0.418 38.5-174.2 -69.6 148.9 -16.8 -41.8 17.4 57 58 A A - 0 0 10 -2,-0.1 -21,-0.2 -23,-0.1 -4,-0.1 -0.946 29.6-110.7-147.4 131.0 -14.6 -39.7 19.6 58 59 A P - 0 0 34 0, 0.0 -21,-3.4 0, 0.0 2,-0.6 -0.340 32.1-145.0 -58.2 136.1 -15.3 -36.4 21.3 59 60 A L E -c 37 0A 32 -23,-0.2 2,-0.4 -21,-0.0 -21,-0.2 -0.941 17.2-172.6-109.4 120.9 -13.2 -33.7 19.7 60 61 A L E -c 38 0A 16 -23,-3.5 -21,-2.2 -2,-0.6 2,-0.4 -0.882 26.0-114.7-111.5 144.2 -11.9 -30.9 22.0 61 62 A E E +c 39 0A 77 -2,-0.4 2,-0.4 -23,-0.2 -21,-0.2 -0.610 36.5 172.5 -77.5 129.7 -10.1 -27.8 20.9 62 63 A L + 0 0 3 -23,-2.9 2,-0.7 -2,-0.4 3,-0.0 -0.889 16.3 179.1-141.5 109.0 -6.5 -27.5 22.0 63 64 A D >> - 0 0 33 -2,-0.4 3,-2.1 -23,-0.1 4,-0.5 -0.972 22.3-152.4 -97.8 111.2 -4.2 -24.8 20.9 64 65 A V T 34 S+ 0 0 5 -2,-0.7 -1,-0.1 1,-0.3 6,-0.0 0.705 92.2 52.7 -66.0 -18.4 -1.2 -25.8 22.8 65 66 A Q T 34 S+ 0 0 60 1,-0.1 -1,-0.3 -3,-0.0 56,-0.0 0.417 91.8 85.3 -87.0 -0.9 0.1 -22.1 22.9 66 67 A N T <4 - 0 0 63 -3,-2.1 -2,-0.1 1,-0.1 -1,-0.1 0.998 65.1-162.3 -73.6 -67.8 -3.2 -20.9 24.3 67 68 A E S X S+ 0 0 109 -4,-0.5 4,-2.8 61,-0.0 -1,-0.1 -0.451 85.9 61.0 114.5 -51.2 -3.1 -21.2 28.1 68 69 A E H > S+ 0 0 119 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.923 104.5 50.1 -69.9 -41.4 -6.8 -21.0 28.7 69 70 A H H > S+ 0 0 22 -6,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.927 113.8 47.0 -57.9 -46.6 -7.3 -24.2 26.5 70 71 A L H 4 S+ 0 0 11 -7,-0.3 -2,-0.2 2,-0.2 -1,-0.2 0.924 112.2 49.1 -58.5 -48.1 -4.6 -25.8 28.6 71 72 A A H < S+ 0 0 87 -4,-2.8 4,-0.3 1,-0.2 -2,-0.2 0.827 115.8 43.3 -63.0 -34.3 -6.2 -24.6 31.9 72 73 A S H X S+ 0 0 31 -4,-2.3 4,-2.8 -5,-0.1 -1,-0.2 0.621 92.7 96.8 -92.5 -15.9 -9.6 -25.9 30.8 73 74 A L T < S+ 0 0 2 -4,-1.4 2,-0.7 -5,-0.2 -11,-0.0 -0.508 79.9 40.7 -67.9 150.4 -8.3 -29.2 29.4 74 75 A A T > S+ 0 0 18 -2,-0.2 4,-3.3 62,-0.1 5,-0.2 -0.677 117.4 52.9 97.1 -67.0 -8.7 -31.9 32.1 75 76 A G H > S+ 0 0 42 -2,-0.7 4,-2.7 -4,-0.3 -2,-0.2 0.966 110.2 46.7 -60.4 -52.3 -12.2 -30.4 32.9 76 77 A R H X S+ 0 0 55 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.889 116.9 44.9 -59.1 -40.0 -13.3 -30.5 29.2 77 78 A V H > S+ 0 0 0 2,-0.2 4,-2.9 -5,-0.2 5,-0.3 0.905 110.1 51.5 -71.5 -40.4 -11.9 -34.1 28.9 78 79 A T H X S+ 0 0 41 -4,-3.3 4,-1.9 2,-0.2 -2,-0.2 0.940 110.7 51.6 -62.8 -36.5 -13.4 -35.4 32.2 79 80 A E H < S+ 0 0 160 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.952 112.3 45.9 -56.1 -51.1 -16.7 -33.9 30.9 80 81 A A H < S+ 0 0 36 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.859 122.5 35.1 -60.6 -38.5 -16.2 -35.9 27.6 81 82 A I H < S- 0 0 9 -4,-2.9 -1,-0.2 4,-0.1 -2,-0.2 0.554 121.4-101.6 -97.0 -6.8 -15.2 -39.1 29.4 82 83 A G >< - 0 0 25 -4,-1.9 3,-2.0 -5,-0.3 -3,-0.1 0.386 41.4 -68.5 96.0 133.8 -17.6 -38.7 32.3 83 84 A A T 3 S+ 0 0 94 1,-0.3 3,-0.1 -4,-0.2 -4,-0.0 -0.137 121.6 26.4 -45.2 139.3 -17.0 -37.6 35.9 84 85 A G T 3 S+ 0 0 86 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.401 99.8 107.2 81.7 -6.2 -15.0 -40.1 37.9 85 86 A N < - 0 0 54 -3,-2.0 2,-0.3 -7,-0.2 -1,-0.3 -0.865 50.2-167.2-100.1 143.4 -13.3 -41.5 34.8 86 87 A K - 0 0 83 -2,-0.4 -78,-0.3 -3,-0.1 51,-0.2 -0.848 25.4 -94.7-125.0 162.8 -9.7 -40.7 34.1 87 88 A L E - d 0 137A 0 49,-3.1 51,-3.0 -2,-0.3 -78,-0.2 -0.437 22.1-174.0 -68.4 143.3 -7.3 -41.0 31.1 88 89 A D E S+ 0 0 26 -80,-3.9 54,-2.1 1,-0.3 2,-0.3 0.548 74.0 29.1-101.8 -18.9 -5.1 -44.0 30.7 89 90 A G E -bd 9 142A 0 -81,-1.8 -79,-2.6 52,-0.2 2,-0.4 -0.989 55.6-168.6-150.7 143.0 -3.3 -42.6 27.7 90 91 A V E -bd 10 143A 0 52,-2.5 54,-3.0 -2,-0.3 2,-0.6 -0.996 8.6-161.9-135.6 129.5 -2.2 -39.3 26.2 91 92 A V E -bd 11 144A 0 -81,-2.8 -79,-2.7 -2,-0.4 2,-0.7 -0.948 2.5-167.6-116.0 115.9 -0.8 -38.9 22.7 92 93 A H E + d 0 145A 0 52,-3.1 54,-1.4 -2,-0.6 -79,-0.1 -0.908 20.8 157.9 -93.7 118.6 1.1 -35.8 21.8 93 94 A S + 0 0 19 -2,-0.7 2,-0.4 52,-0.2 -72,-0.2 -0.507 31.1 130.3-137.5 59.4 1.5 -35.7 18.0 94 95 A I + 0 0 29 52,-0.1 2,-0.3 28,-0.1 52,-0.1 -0.961 21.8 153.4-125.3 130.1 2.0 -32.0 17.7 95 96 A G + 0 0 45 -2,-0.4 2,-0.3 -82,-0.1 27,-0.1 -0.976 4.3 157.7-157.2 145.2 4.8 -30.3 15.8 96 97 A F + 0 0 86 22,-0.3 26,-0.4 -2,-0.3 25,-0.1 -0.891 9.0 174.7-166.0 140.4 5.3 -27.1 14.0 97 98 A M - 0 0 5 -2,-0.3 18,-0.1 24,-0.1 5,-0.1 -0.940 38.6-115.3-144.8 124.5 8.3 -24.9 13.0 98 99 A P > - 0 0 14 0, 0.0 3,-0.9 0, 0.0 2,-0.3 -0.289 39.1-103.3 -52.7 141.2 7.7 -21.7 10.9 99 100 A Q T 3 S+ 0 0 130 2,-0.2 4,-0.0 1,-0.2 107,-0.0 -0.606 115.6 61.8 -58.7 129.9 9.3 -22.1 7.5 100 101 A T T 3 S+ 0 0 34 -2,-0.3 -1,-0.2 5,-0.1 5,-0.2 -0.161 102.4 62.0 148.9 -53.1 12.4 -20.0 8.2 101 102 A G S < S+ 0 0 0 -3,-0.9 58,-1.9 8,-0.1 59,-0.5 -0.020 104.9 32.8 101.0 -87.6 12.7 -22.3 10.2 102 103 A M S S- 0 0 37 56,-0.2 55,-0.1 57,-0.1 -1,-0.1 -0.347 102.5 -12.0-165.8 61.6 13.0 -25.4 8.2 103 104 A G S S+ 0 0 6 2,-0.6 53,-0.7 -3,-0.1 55,-0.2 -0.297 106.6 34.1-171.7 -86.8 14.6 -25.9 4.8 104 105 A I S S+ 0 0 43 102,-0.3 106,-0.3 2,-0.1 105,-0.2 0.062 92.6 63.2-150.2 -57.9 15.4 -23.8 2.9 105 106 A N S S- 0 0 69 -5,-0.2 -2,-0.6 51,-0.1 -5,-0.1 -0.620 94.3 -66.3 120.9 83.8 16.5 -21.1 4.0 106 107 A P >> - 0 0 72 0, 0.0 3,-1.8 0, 0.0 4,-0.5 0.023 33.1-136.6 -54.4 128.5 19.6 -20.5 6.1 107 108 A F G >4 S+ 0 0 77 1,-0.3 3,-1.1 2,-0.2 -3,-0.0 0.883 107.8 54.5 -38.9 -45.5 19.7 -22.0 9.6 108 109 A F G 34 S+ 0 0 181 1,-0.2 -1,-0.3 3,-0.0 0, 0.0 0.668 99.3 63.2 -71.4 -15.8 21.2 -18.7 10.8 109 110 A D G <4 + 0 0 102 -3,-1.8 -1,-0.2 -9,-0.2 -2,-0.2 0.532 70.0 109.2 -92.6 -7.7 18.3 -16.7 9.3 110 111 A A S << S- 0 0 11 -3,-1.1 -9,-0.1 -4,-0.5 2,-0.1 -0.605 71.9-129.6 -66.7 116.1 15.5 -18.1 11.4 111 112 A P >> - 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0 0 21 -3,-1.8 2,-0.4 -6,-0.3 -1,-0.3 0.027 23.4-110.3 77.2 168.0 13.1 -51.3 5.2 229 230 A W - 0 0 23 -8,-0.1 2,-0.7 -4,-0.1 -1,-0.1 -0.980 15.3-159.1-140.5 128.9 11.1 -48.1 5.8 230 231 A N > - 0 0 76 -2,-0.4 3,-2.2 3,-0.2 -8,-0.1 -0.859 3.8-172.5-110.7 98.5 7.9 -47.2 4.1 231 232 A M T 3 S+ 0 0 46 -2,-0.7 -37,-3.4 1,-0.3 -1,-0.1 0.625 85.5 59.8 -63.7 -15.5 7.3 -43.5 4.3 232 233 A K T 3 S+ 0 0 159 -39,-0.2 2,-0.6 1,-0.2 -1,-0.3 0.535 95.3 73.2 -88.9 -7.9 3.8 -43.9 2.9 233 234 A D < + 0 0 57 -3,-2.2 4,-0.3 1,-0.1 -3,-0.2 -0.859 46.1 170.4-116.8 103.8 2.8 -46.2 5.8 234 235 A A >> + 0 0 4 -2,-0.6 4,-2.5 1,-0.2 3,-0.6 0.564 61.4 93.0 -80.7 -7.8 2.2 -44.6 9.2 235 236 A T H 3> S+ 0 0 38 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.864 79.4 54.2 -57.3 -45.7 0.8 -47.9 10.6 236 237 A P H 3> S+ 0 0 55 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.856 112.6 44.6 -60.8 -33.2 4.0 -49.2 12.0 237 238 A V H <> S+ 0 0 0 -3,-0.6 4,-2.3 -4,-0.3 -2,-0.2 0.909 111.6 51.6 -74.8 -38.9 4.5 -46.0 14.0 238 239 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -3,-0.2 0.903 110.7 50.6 -57.1 -44.3 0.8 -45.9 15.1 239 240 A K H X S+ 0 0 134 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.872 108.5 50.8 -61.4 -39.6 1.3 -49.5 16.3 240 241 A T H X S+ 0 0 30 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.893 109.4 50.0 -66.3 -44.1 4.4 -48.5 18.2 241 242 A V H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.922 110.5 51.6 -56.6 -44.1 2.6 -45.6 19.9 242 243 A C H X S+ 0 0 2 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.877 104.9 55.6 -62.0 -36.3 -0.1 -48.2 20.8 243 244 A A H < S+ 0 0 32 -4,-2.1 5,-0.5 1,-0.2 6,-0.5 0.913 109.9 46.0 -61.7 -42.5 2.6 -50.5 22.3 244 245 A L H < S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.813 111.3 52.7 -65.9 -32.7 3.7 -47.6 24.5 245 246 A L H < S+ 0 0 2 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.674 102.8 75.5 -73.6 -20.7 0.1 -46.9 25.4 246 247 A S S < S- 0 0 0 -4,-1.2 3,-0.5 -3,-0.4 -242,-0.1 -0.125 96.5-106.2 -82.4-178.1 -0.5 -50.5 26.4 247 248 A D S S+ 0 0 90 -244,-0.4 -3,-0.1 1,-0.2 -4,-0.1 0.222 99.9 90.4 -88.8 10.2 0.7 -52.3 29.5 248 249 A W S S+ 0 0 190 -5,-0.5 -1,-0.2 1,-0.2 -4,-0.1 0.595 85.4 45.3 -94.4 -7.5 3.4 -54.1 27.5 249 250 A L S > S+ 0 0 48 -6,-0.5 3,-1.1 -3,-0.5 -1,-0.2 -0.552 72.3 148.7-118.4 61.8 6.2 -51.6 28.0 250 251 A P T 3 + 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.633 67.3 46.9 -78.8 -12.8 5.6 -51.2 31.7 251 252 A A T 3 S+ 0 0 95 -3,-0.1 2,-0.5 -67,-0.0 -3,-0.0 0.047 91.3 99.1-114.4 20.2 9.2 -50.4 32.8 252 253 A T < + 0 0 32 -3,-1.1 2,-0.3 -8,-0.1 -3,-0.1 -0.953 42.1 138.6-115.7 117.9 10.0 -47.9 30.1 253 254 A T + 0 0 64 -2,-0.5 -67,-0.2 -69,-0.1 3,-0.1 -0.985 57.3 29.1-152.8 165.0 9.8 -44.2 30.7 254 255 A G S S+ 0 0 16 -69,-3.1 -68,-0.2 -2,-0.3 -82,-0.1 0.602 103.6 122.1 63.3 20.5 11.6 -41.0 29.9 255 256 A D E -f 186 0A 79 -70,-0.7 -68,-2.9 -84,-0.1 2,-0.4 -0.365 62.0-131.2-119.7 173.6 12.6 -43.0 26.8 256 257 A I E -f 187 0A 17 -70,-0.2 2,-0.5 -3,-0.1 -68,-0.2 -0.999 11.2-158.9-128.4 126.9 12.4 -43.0 23.1 257 258 A I E -f 188 0A 48 -70,-3.0 -68,-2.5 -2,-0.4 2,-0.8 -0.951 18.5-137.3-105.7 130.4 11.3 -45.9 21.0 258 259 A Y E +f 189 0A 69 -2,-0.5 2,-0.7 -70,-0.2 -68,-0.2 -0.794 25.2 175.0 -94.5 105.4 12.5 -45.9 17.5 259 260 A A E +f 190 0A 10 -70,-2.2 -68,-1.6 -2,-0.8 -1,-0.1 -0.720 48.3 111.9-101.7 72.2 9.9 -46.8 15.0 260 261 A D S > S- 0 0 2 -2,-0.7 3,-1.3 -70,-0.3 -38,-0.2 0.067 97.3 -94.2-136.7 16.2 12.2 -46.1 12.1 261 262 A G T 3 S- 0 0 9 1,-0.3 -34,-1.4 -3,-0.1 -33,-0.3 0.536 74.2 -72.0 78.8 8.3 12.8 -49.4 10.6 262 263 A G T > S+ 0 0 23 -37,-0.2 3,-1.4 -36,-0.1 -1,-0.3 0.546 98.1 136.1 78.2 6.9 16.0 -49.7 12.6 263 264 A A G X> + 0 0 0 -3,-1.3 3,-2.0 1,-0.3 4,-1.1 0.879 63.4 58.4 -54.7 -41.1 17.6 -47.1 10.4 264 265 A H G 34 S+ 0 0 74 1,-0.3 -1,-0.3 2,-0.2 -3,-0.1 0.657 100.8 58.4 -67.8 -14.2 19.2 -45.2 13.4 265 266 A T G <4 S+ 0 0 80 -3,-1.4 -1,-0.3 1,-0.1 -2,-0.2 0.368 105.3 54.1 -88.8 0.3 21.0 -48.3 14.4 266 267 A Q T <4 - 0 0 85 -3,-2.0 2,-1.4 -4,-0.1 -2,-0.2 0.850 58.0-168.8-115.6 -52.1 22.8 -48.6 11.1 267 268 A L < 0 0 151 -4,-1.1 -1,-0.1 0, 0.0 -43,-0.1 -0.293 360.0 360.0 91.7 -68.3 24.9 -45.7 9.5 268 269 A L 0 0 193 -2,-1.4 -48,-0.0 -44,-0.1 0, 0.0 -0.987 360.0 360.0-145.9 360.0 25.2 -47.5 6.2