==== 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 14-JUN-07 2QA1 . COMPND 2 MOLECULE: POLYKETIDE OXYGENASE PGAE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES; . AUTHOR H.KOSKINIEMI,D.DOBRITZSCH,M.METSA-KETELA,P.KALLIO,J.NIEMI,G. . 487 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21392.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 347 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 18.1 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 . 6 1.2 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 . 1 0.2 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 . 39 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 25.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.4 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 1 0 1 1 1 0 1 3 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 0 1 3 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 PARALLEL BRIDGES PER LADDER . 2 5 1 4 1 0 2 2 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 . 1 3 2 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 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 -1 A H 0 0 122 0, 0.0 3,-0.4 0, 0.0 114,-0.0 0.000 360.0 360.0 360.0 -6.6 25.3 32.2 89.7 2 0 A R - 0 0 201 1,-0.2 2,-0.2 143,-0.0 143,-0.1 0.294 360.0 -11.2 -59.0 138.3 28.3 32.3 91.9 3 1 A S S S+ 0 0 54 141,-0.2 143,-1.7 144,-0.0 2,-0.3 -0.156 92.3 61.7 105.2 -24.9 31.9 33.4 91.9 4 2 A D B +a 146 0A 119 -3,-0.4 2,-0.3 -2,-0.2 143,-0.2 -0.988 34.8 149.4-143.2 147.3 33.4 34.6 88.6 5 3 A A - 0 0 19 141,-1.2 143,-0.5 -2,-0.3 3,-0.2 -0.935 46.3-119.5-153.5 169.6 33.1 37.1 85.8 6 4 A A S S+ 0 0 25 23,-1.3 143,-1.4 1,-0.3 142,-1.1 0.898 102.2 15.8 -78.0 -44.8 35.4 38.8 83.3 7 5 A V E -de 30 149B 0 22,-1.8 24,-2.0 141,-0.2 2,-0.5 -0.996 67.5-154.6-131.8 132.6 34.5 42.3 84.7 8 6 A I E -de 31 150B 4 141,-2.4 143,-3.0 -2,-0.4 2,-0.5 -0.941 10.0-163.2-104.8 128.4 32.8 43.3 87.9 9 7 A V E -de 32 151B 0 22,-2.9 24,-2.9 -2,-0.5 2,-0.7 -0.947 7.7-150.0-109.8 127.0 30.9 46.6 88.0 10 8 A V E +de 33 152B 9 141,-2.9 143,-2.1 -2,-0.5 24,-0.2 -0.885 65.3 25.2 -98.0 116.6 30.0 48.1 91.4 11 9 A G - 0 0 6 22,-3.1 23,-0.2 -2,-0.7 22,-0.1 0.246 59.3-137.6 106.1 132.0 26.9 50.2 91.2 12 10 A A + 0 0 4 4,-0.1 -1,-0.1 20,-0.1 22,-0.1 -0.254 61.5 119.9-118.2 42.3 23.8 50.3 89.0 13 11 A G S > S- 0 0 21 140,-0.6 4,-2.6 93,-0.0 5,-0.3 -0.124 90.0 -71.3 -77.3-169.7 23.4 54.0 88.5 14 12 A P H > S+ 0 0 14 0, 0.0 4,-2.3 0, 0.0 5,-0.3 0.883 135.1 49.6 -57.3 -39.1 23.6 55.5 85.0 15 13 A A H > S+ 0 0 7 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.960 114.0 43.8 -64.8 -51.2 27.4 54.9 84.7 16 14 A G H > S+ 0 0 0 137,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.881 116.2 46.7 -63.4 -40.3 27.2 51.3 85.8 17 15 A M H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.912 113.7 46.6 -72.4 -42.5 24.2 50.4 83.7 18 16 A M H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.3 -2,-0.2 0.934 114.7 49.4 -60.8 -43.8 25.5 52.1 80.5 19 17 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.3 5,-0.2 0.912 108.3 52.7 -59.9 -45.7 28.9 50.4 81.2 20 18 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.928 111.1 46.4 -58.5 -45.0 27.2 47.0 81.6 21 19 A G H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.933 112.2 50.7 -63.7 -45.0 25.4 47.3 78.3 22 20 A E H X S+ 0 0 1 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.883 109.8 50.4 -59.5 -40.7 28.6 48.5 76.5 23 21 A L H <>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 4,-0.2 0.915 108.8 51.9 -65.7 -41.1 30.5 45.5 77.9 24 22 A R H ><5S+ 0 0 51 -4,-2.2 3,-1.9 1,-0.2 -2,-0.2 0.903 104.8 55.8 -59.0 -39.9 27.8 43.1 76.7 25 23 A L H 3<5S+ 0 0 46 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.860 106.3 51.9 -63.6 -30.2 28.0 44.6 73.2 26 24 A A T 3<5S- 0 0 27 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.469 122.5-111.3 -81.4 -1.1 31.7 43.8 73.4 27 25 A G T < 5 + 0 0 46 -3,-1.9 2,-0.4 1,-0.3 -3,-0.2 0.683 66.9 149.6 80.8 22.0 30.8 40.2 74.3 28 26 A V < - 0 0 2 -5,-2.5 2,-0.6 -6,-0.1 -1,-0.3 -0.708 51.3-123.5 -94.7 132.5 32.1 40.4 77.8 29 27 A E - 0 0 109 -2,-0.4 -22,-1.8 85,-0.1 -23,-1.3 -0.641 40.7-177.1 -73.3 119.2 30.7 38.5 80.8 30 28 A V E -d 7 0B 4 -2,-0.6 85,-2.5 83,-0.3 2,-0.5 -0.977 20.8-165.3-129.2 131.1 29.8 41.2 83.3 31 29 A V E -df 8 115B 7 -24,-2.0 -22,-2.9 -2,-0.4 2,-0.5 -0.963 10.7-157.3-110.3 129.8 28.4 41.1 86.8 32 30 A V E -df 9 116B 0 83,-3.0 85,-3.5 -2,-0.5 2,-0.6 -0.934 2.0-158.7-106.8 128.8 27.0 44.3 88.4 33 31 A L E +df 10 117B 2 -24,-2.9 -22,-3.1 -2,-0.5 2,-0.4 -0.944 15.0 176.3-109.1 115.9 26.8 44.5 92.2 34 32 A E E - f 0 118B 18 83,-2.5 86,-2.3 -2,-0.6 85,-1.0 -0.989 24.4-153.5-123.9 127.1 24.3 47.0 93.4 35 33 A R S S+ 0 0 121 -2,-0.4 2,-0.2 84,-0.3 86,-0.2 0.863 74.6 82.5 -66.9 -37.0 23.6 47.5 97.2 36 34 A L - 0 0 79 1,-0.1 83,-0.8 84,-0.1 84,-0.2 -0.477 63.1-157.1 -72.9 136.5 20.0 48.8 96.6 37 35 A V 0 0 119 81,-0.2 -1,-0.1 -2,-0.2 81,-0.1 0.820 360.0 360.0 -75.7 -30.5 17.2 46.2 96.1 38 36 A E 0 0 179 80,-0.0 -1,-0.2 2,-0.0 81,-0.0 -0.978 360.0 360.0-139.2 360.0 15.0 48.8 94.4 39 ! 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 40 38 A T 0 0 87 0, 0.0 59,-0.0 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 -25.1 15.8 54.9 94.6 41 39 A G + 0 0 66 58,-0.1 58,-0.1 57,-0.0 59,-0.0 0.815 360.0 132.2 72.3 35.1 13.1 56.5 92.3 42 40 A E - 0 0 53 57,-0.0 56,-0.0 56,-0.0 207,-0.0 0.991 38.8-172.4 -87.9 -69.5 14.8 59.8 92.6 43 41 A S + 0 0 10 54,-0.1 3,-0.0 3,-0.0 0, 0.0 0.997 15.3 165.3 55.6 70.1 15.4 61.8 89.4 44 42 A R + 0 0 128 53,-0.0 2,-0.1 135,-0.0 0, 0.0 0.924 68.7 59.9 -64.7 -54.9 17.5 64.5 90.8 45 43 A G S S- 0 0 28 52,-0.0 53,-2.4 1,-0.0 2,-0.4 -0.367 72.5-158.3 -74.1 148.7 18.3 65.1 87.2 46 44 A L E -I 97 0C 66 51,-0.2 50,-0.2 52,-0.1 49,-0.1 -0.997 57.3 -15.7-127.2 129.0 15.8 66.1 84.5 47 45 A G E S- 0 0 6 49,-3.6 2,-0.3 -2,-0.4 47,-0.2 -0.166 72.6-114.5 74.5-175.2 16.4 65.6 80.8 48 46 A F E -I 93 0C 8 45,-1.5 45,-1.5 -3,-0.1 48,-0.1 -0.965 27.1 -87.1-155.4 166.4 19.8 64.9 79.2 49 47 A T > - 0 0 14 -2,-0.3 4,-2.4 43,-0.2 44,-0.2 -0.201 36.7-108.1 -77.2 167.5 22.3 66.6 76.9 50 48 A A H > S+ 0 0 1 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.896 121.2 52.2 -59.0 -40.8 22.4 66.5 73.1 51 49 A R H > S+ 0 0 7 318,-1.4 4,-2.5 1,-0.2 -1,-0.2 0.918 107.5 50.8 -67.1 -40.9 25.5 64.3 73.3 52 50 A T H > S+ 0 0 0 317,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.928 107.9 54.1 -58.5 -43.0 23.8 61.9 75.7 53 51 A M H X S+ 0 0 13 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.907 110.2 48.1 -54.1 -43.6 20.9 61.7 73.2 54 52 A E H X S+ 0 0 16 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.886 107.9 51.7 -67.4 -42.0 23.5 60.8 70.5 55 53 A V H < S+ 0 0 2 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.823 113.7 46.6 -69.1 -28.3 25.3 58.1 72.5 56 54 A F H ><>S+ 0 0 0 -4,-2.1 5,-2.1 -5,-0.2 3,-1.6 0.921 111.7 51.0 -68.0 -49.1 21.8 56.5 73.2 57 55 A D H ><5S+ 0 0 55 -4,-2.4 3,-2.0 1,-0.3 -2,-0.2 0.883 102.3 59.9 -57.2 -43.4 20.8 56.8 69.5 58 56 A Q T 3<5S+ 0 0 8 -4,-2.5 352,-0.3 1,-0.3 -1,-0.3 0.470 108.6 45.0 -71.7 -2.5 24.0 55.1 68.3 59 57 A R T < 5S- 0 0 10 -3,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.253 114.8-114.2-113.5 3.9 23.1 52.0 70.3 60 58 A G T < 5S+ 0 0 32 -3,-2.0 -3,-0.2 -4,-0.2 4,-0.2 0.752 77.3 130.9 69.7 23.7 19.5 52.0 69.2 61 59 A I > < + 0 0 0 -5,-2.1 3,-1.7 1,-0.2 4,-0.4 0.734 43.5 84.8 -76.5 -26.3 18.3 52.7 72.8 62 60 A L G >> S+ 0 0 33 -6,-0.3 3,-1.8 1,-0.3 4,-0.7 0.780 73.3 67.0 -60.1 -35.5 15.9 55.6 72.0 63 61 A P G >4 S+ 0 0 109 0, 0.0 3,-1.2 0, 0.0 -1,-0.3 0.846 91.7 67.1 -53.8 -28.7 12.7 53.6 71.1 64 62 A R G <4 S+ 0 0 106 -3,-1.7 -2,-0.2 1,-0.2 -3,-0.1 0.848 99.5 51.3 -55.8 -33.7 12.7 52.6 74.8 65 63 A F G <4 S- 0 0 23 -3,-1.8 -1,-0.2 -4,-0.4 -3,-0.1 0.621 93.7-157.3 -80.7 -15.5 12.0 56.3 75.7 66 64 A G << - 0 0 53 -3,-1.2 2,-0.4 -4,-0.7 -1,-0.2 -0.429 61.3 -1.5 67.4-148.0 9.1 56.7 73.2 67 65 A E S S- 0 0 195 -2,-0.1 2,-0.5 -4,-0.0 -5,-0.0 -0.624 74.9-167.3 -80.3 127.5 8.4 60.3 72.3 68 66 A V - 0 0 29 -2,-0.4 2,-0.3 28,-0.0 -2,-0.1 -0.969 19.5-127.7-121.2 125.8 10.8 62.7 74.0 69 67 A E - 0 0 105 -2,-0.5 25,-2.5 24,-0.0 26,-0.5 -0.543 30.5-167.3 -69.6 129.7 10.5 66.5 74.1 70 68 A T B -J 93 0C 55 -2,-0.3 2,-0.3 23,-0.3 23,-0.2 -0.739 2.8-165.0-113.1 165.8 13.7 68.2 73.0 71 69 A S - 0 0 26 21,-1.7 21,-0.4 19,-0.3 -2,-0.0 -0.997 30.2-160.2-154.9 146.8 14.8 71.8 73.3 72 70 A T + 0 0 51 -2,-0.3 11,-2.8 19,-0.1 2,-0.7 0.353 65.7 111.1-100.6 -2.2 17.2 74.4 72.0 73 71 A Q E +K 82 0D 159 9,-0.2 2,-0.2 10,-0.1 9,-0.2 -0.677 45.7 156.8 -77.6 113.2 16.7 76.7 75.0 74 72 A G E -K 81 0D 9 7,-2.8 7,-2.3 -2,-0.7 2,-0.3 -0.627 23.9-160.8-122.8-174.5 19.9 76.6 77.1 75 73 A H E -K 80 0D 33 5,-0.3 2,-0.4 -2,-0.2 293,-0.0 -0.967 15.1-144.0-156.0 165.8 21.8 78.7 79.6 76 74 A F E > S-K 79 0D 11 3,-1.8 3,-1.9 -2,-0.3 289,-0.0 -0.930 92.7 -18.5-134.3 112.2 25.2 79.1 81.1 77 75 A G T 3 S- 0 0 3 -2,-0.4 115,-0.0 1,-0.3 254,-0.0 0.794 130.7 -52.1 62.3 27.1 25.2 80.0 84.8 78 76 A G T 3 S+ 0 0 19 1,-0.3 -1,-0.3 116,-0.0 117,-0.1 0.413 109.7 127.9 87.2 -1.9 21.5 81.0 84.4 79 77 A L E < -K 76 0D 16 -3,-1.9 -3,-1.8 1,-0.0 -1,-0.3 -0.797 64.8-119.8 -85.1 118.1 22.4 83.3 81.4 80 78 A P E +K 75 0D 88 0, 0.0 2,-0.3 0, 0.0 -5,-0.3 -0.323 35.8 177.8 -68.1 140.1 20.0 82.3 78.6 81 79 A I E -K 74 0D 7 -7,-2.3 -7,-2.8 -9,-0.0 2,-1.1 -0.997 32.4-129.7-138.7 133.4 21.6 81.0 75.3 82 80 A D E > -K 73 0D 93 -2,-0.3 3,-1.3 -9,-0.2 -9,-0.2 -0.761 20.4-167.7 -79.7 104.1 19.8 79.7 72.2 83 81 A F G > S+ 0 0 18 -11,-2.8 3,-2.1 -2,-1.1 6,-0.3 0.595 72.0 90.1 -72.3 -8.2 21.8 76.5 71.8 84 82 A G G 3 + 0 0 40 -12,-0.6 -1,-0.3 1,-0.3 4,-0.1 0.612 68.2 76.0 -61.8 -13.6 20.2 76.3 68.3 85 83 A V G < S+ 0 0 60 -3,-1.3 2,-0.6 -13,-0.2 -1,-0.3 0.660 88.6 69.4 -70.3 -16.0 23.2 78.2 67.0 86 84 A L S X S- 0 0 38 -3,-2.1 3,-2.2 275,-0.1 4,-0.4 -0.922 95.0-115.9-109.1 119.6 25.1 74.9 67.3 87 85 A E T 3 S+ 0 0 104 -2,-0.6 -2,-0.1 1,-0.3 -3,-0.0 -0.197 98.1 11.4 -52.4 133.2 24.3 72.1 64.9 88 86 A G T > S+ 0 0 7 -4,-0.1 3,-1.5 1,-0.1 -1,-0.3 0.269 92.0 110.5 84.6 -11.4 22.8 69.0 66.7 89 87 A A G X + 0 0 1 -3,-2.2 3,-1.6 -6,-0.3 -18,-0.2 0.782 62.1 77.3 -69.1 -22.7 22.3 70.8 70.0 90 88 A W G 3 S+ 0 0 145 -4,-0.4 -19,-0.3 1,-0.3 -1,-0.3 0.621 75.4 79.2 -53.0 -19.2 18.6 70.6 69.4 91 89 A Q G < + 0 0 23 -3,-1.5 -1,-0.3 -21,-0.1 -2,-0.1 0.473 61.7 124.2 -78.3 -2.1 18.7 67.0 70.4 92 90 A A < - 0 0 22 -3,-1.6 -21,-1.7 -21,-0.4 2,-0.4 -0.401 63.8-126.9 -59.5 129.4 18.8 67.7 74.2 93 91 A A E -IJ 48 70C 6 -45,-1.5 -45,-1.5 -44,-0.2 -23,-0.3 -0.694 20.1-159.9 -77.0 126.9 16.0 66.0 76.1 94 92 A K E S+ 0 0 77 -25,-2.5 -1,-0.1 -2,-0.4 -24,-0.1 0.876 72.8 6.1 -79.2 -41.9 14.1 68.6 78.1 95 93 A T E S+ 0 0 66 -26,-0.5 -1,-0.1 2,-0.1 -48,-0.1 0.472 73.3 135.3-128.6 -8.4 12.3 66.7 80.9 96 94 A V E - 0 0 16 -27,-0.3 -49,-3.6 -50,-0.2 -3,-0.0 -0.314 55.8-125.0 -59.8 121.7 13.1 63.0 81.1 97 95 A P E >> -I 46 0C 41 0, 0.0 4,-1.9 0, 0.0 3,-0.8 -0.316 14.1-121.2 -63.9 147.7 13.6 62.2 84.9 98 96 A Q H 3> S+ 0 0 14 -53,-2.4 4,-2.9 1,-0.2 5,-0.2 0.873 112.4 59.9 -57.7 -37.7 16.9 60.5 85.8 99 97 A S H 3> S+ 0 0 30 -54,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.830 105.3 48.8 -59.8 -34.0 15.0 57.5 87.3 100 98 A V H <> S+ 0 0 52 -3,-0.8 4,-2.4 2,-0.2 5,-0.2 0.933 111.1 48.6 -70.5 -48.7 13.4 56.9 83.9 101 99 A T H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.943 112.0 50.5 -55.2 -47.0 16.7 57.0 82.0 102 100 A E H X S+ 0 0 36 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.897 108.0 53.8 -58.1 -43.3 18.2 54.7 84.6 103 101 A T H X S+ 0 0 65 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.927 110.0 45.7 -58.5 -47.8 15.3 52.3 84.1 104 102 A H H X S+ 0 0 34 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.906 112.7 50.3 -65.7 -41.3 15.8 52.1 80.4 105 103 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 5,-0.2 0.905 112.1 48.5 -61.2 -42.4 19.5 51.6 80.7 106 104 A E H X S+ 0 0 44 -4,-2.7 4,-2.7 -5,-0.2 5,-0.2 0.929 113.1 46.9 -63.3 -44.3 19.0 48.8 83.2 107 105 A Q H X S+ 0 0 107 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.937 113.7 48.8 -64.8 -41.3 16.4 47.1 81.0 108 106 A W H X S+ 0 0 15 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.956 114.1 44.8 -58.0 -54.9 18.7 47.4 78.0 109 107 A A H <>S+ 0 0 0 -4,-2.7 5,-2.4 1,-0.2 4,-0.2 0.892 114.6 48.5 -60.0 -45.0 21.8 46.0 79.8 110 108 A T H ><5S+ 0 0 71 -4,-2.7 3,-1.9 1,-0.2 -1,-0.2 0.924 108.6 53.9 -61.2 -47.3 19.8 43.2 81.3 111 109 A G H 3<5S+ 0 0 66 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.854 105.4 55.1 -54.0 -37.2 18.3 42.3 77.9 112 110 A L T 3<5S- 0 0 54 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.476 129.6 -96.9 -76.5 -6.0 21.8 42.1 76.6 113 111 A G T < 5 + 0 0 38 -3,-1.9 -83,-0.3 1,-0.3 -3,-0.2 0.595 65.4 158.9 101.8 13.3 22.7 39.6 79.3 114 112 A A < - 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