==== 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 08-SEP-05 2AYT . COMPND 2 MOLECULE: GLUTAREDOXIN-LIKE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR E.PEDONE,K.D'AMBROSIO,G.DE SIMONE,M.ROSSI,C.PEDONE,S.BARTOLU . 460 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21405.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 349 75.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 41 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 173 37.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.1 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 4 2 0 0 0 0 1 1 4 0 0 0 1 2 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 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 0 PARALLEL BRIDGES PER LADDER . 0 0 3 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 M 0 0 167 0, 0.0 3,-0.1 0, 0.0 42,-0.1 0.000 360.0 360.0 360.0 146.3 123.9 46.4 73.7 2 2 A L + 0 0 76 1,-0.2 2,-0.6 40,-0.1 41,-0.1 0.722 360.0 54.0 -82.2 -22.8 122.4 47.4 70.3 3 3 A L S S- 0 0 7 4,-0.0 -1,-0.2 3,-0.0 2,-0.0 -0.934 83.4-151.7-115.0 109.1 125.9 47.5 68.9 4 4 A N > - 0 0 90 -2,-0.6 4,-2.8 -3,-0.1 3,-0.3 -0.249 34.8 -95.1 -75.0 167.8 127.8 44.3 69.4 5 5 A L H > S+ 0 0 152 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.812 125.3 53.3 -50.4 -36.5 131.6 44.1 69.7 6 6 A D H > S+ 0 0 124 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.932 111.7 42.5 -68.2 -46.6 131.9 43.4 66.0 7 7 A V H > S+ 0 0 40 -3,-0.3 4,-3.2 2,-0.2 5,-0.2 0.856 115.2 51.6 -69.2 -33.9 129.9 46.4 65.0 8 8 A R H X S+ 0 0 43 -4,-2.8 4,-3.0 2,-0.2 5,-0.2 0.946 108.8 49.7 -67.0 -46.5 131.6 48.6 67.5 9 9 A M H X S+ 0 0 88 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.910 115.3 46.0 -56.6 -42.2 135.0 47.5 66.2 10 10 A Q H X S+ 0 0 115 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.925 113.1 46.2 -67.7 -47.9 133.8 48.3 62.7 11 11 A L H X S+ 0 0 7 -4,-3.2 4,-2.9 1,-0.2 5,-0.2 0.872 110.8 55.8 -63.6 -36.6 132.2 51.7 63.6 12 12 A K H X S+ 0 0 67 -4,-3.0 4,-2.3 -5,-0.2 -1,-0.2 0.928 111.5 41.5 -61.7 -46.6 135.4 52.5 65.5 13 13 A E H X S+ 0 0 78 -4,-1.9 4,-1.6 -5,-0.2 5,-0.2 0.928 114.4 52.9 -65.7 -45.4 137.6 51.9 62.5 14 14 A L H X S+ 0 0 63 -4,-2.8 4,-3.0 1,-0.2 5,-0.4 0.916 110.9 46.9 -55.0 -48.5 135.1 53.6 60.2 15 15 A A H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.938 108.3 54.2 -61.2 -50.3 135.1 56.7 62.4 16 16 A Q H < S+ 0 0 109 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.805 118.7 35.4 -56.3 -30.6 138.9 56.9 62.7 17 17 A K H < S+ 0 0 137 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.838 129.9 30.4 -92.1 -36.7 139.2 56.9 59.0 18 18 A E H < S+ 0 0 82 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.809 93.7 96.9 -92.7 -36.7 136.1 58.9 58.0 19 19 A F < + 0 0 20 -4,-2.9 95,-0.1 -5,-0.4 96,-0.0 -0.227 34.6 143.8 -61.7 145.4 135.6 61.3 60.9 20 20 A K + 0 0 116 1,-0.5 98,-0.2 94,-0.1 -1,-0.1 0.207 52.4 35.7-140.4 -92.0 136.9 64.9 60.7 21 21 A E S S- 0 0 101 96,-2.7 -1,-0.5 93,-0.2 98,-0.1 -0.378 92.0 -86.3 -76.7 153.1 135.0 67.9 62.1 22 22 A P - 0 0 63 0, 0.0 2,-0.4 0, 0.0 38,-0.2 -0.159 44.2-149.6 -55.3 147.4 133.0 67.8 65.3 23 23 A V E -a 60 0A 5 36,-3.2 38,-1.8 -3,-0.1 2,-0.5 -0.967 6.7-152.9-127.4 142.0 129.4 66.7 65.0 24 24 A S E -aB 61 88A 17 64,-3.5 64,-2.7 -2,-0.4 2,-0.5 -0.937 9.7-168.6-113.3 130.6 126.4 67.6 67.0 25 25 A I E -aB 62 87A 0 36,-3.0 38,-2.9 -2,-0.5 2,-0.6 -0.978 1.0-170.4-121.3 122.7 123.4 65.2 67.3 26 26 A K E -aB 63 86A 31 60,-2.2 60,-2.3 -2,-0.5 2,-0.5 -0.935 1.5-168.2-119.6 114.3 120.1 66.3 68.8 27 27 A L E -aB 64 85A 0 36,-3.1 38,-2.9 -2,-0.6 2,-0.7 -0.872 8.3-156.6-101.7 123.7 117.5 63.8 69.6 28 28 A F E +aB 65 84A 0 56,-3.0 56,-1.6 -2,-0.5 2,-0.3 -0.898 32.1 160.9 -99.1 115.6 114.0 65.0 70.4 29 29 A S - 0 0 1 36,-3.4 2,-0.4 -2,-0.7 -2,-0.0 -0.941 28.7-157.2-138.2 158.2 112.3 62.2 72.4 30 30 A Q - 0 0 71 -2,-0.3 4,-0.2 36,-0.1 7,-0.2 -0.998 18.3-139.1-139.5 136.3 109.4 61.6 74.8 31 31 A A S S+ 0 0 101 -2,-0.4 2,-0.4 2,-0.1 3,-0.3 0.852 86.7 43.6 -59.3 -42.0 108.9 58.8 77.3 32 32 A I S S+ 0 0 149 1,-0.2 3,-0.1 5,-0.1 -1,-0.1 -0.886 111.0 20.7-115.1 140.1 105.2 58.2 76.7 33 33 A G S S+ 0 0 74 -2,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.645 98.2 94.2 85.9 14.8 103.3 57.9 73.4 34 34 A a > - 0 0 20 -3,-0.3 4,-0.5 -4,-0.2 3,-0.3 -0.879 51.3-169.7-142.2 105.5 106.4 57.1 71.3 35 35 A E T 4 S+ 0 0 187 -2,-0.3 4,-0.3 1,-0.2 3,-0.2 0.869 86.4 38.6 -63.8 -42.4 107.2 53.4 70.6 36 36 A S T > S+ 0 0 8 1,-0.2 4,-2.3 46,-0.2 -1,-0.2 0.552 91.6 91.1 -88.7 -8.3 110.6 53.8 69.1 37 37 A a H > S+ 0 0 1 -3,-0.3 4,-2.8 1,-0.2 5,-0.2 0.899 84.1 49.9 -53.6 -51.4 111.9 56.6 71.3 38 38 A Q H X S+ 0 0 136 -4,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.907 113.8 46.8 -57.4 -42.0 113.5 54.5 74.0 39 39 A T H > S+ 0 0 48 -4,-0.3 4,-3.2 2,-0.2 -1,-0.2 0.879 111.0 52.7 -68.4 -35.2 115.3 52.5 71.4 40 40 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.916 108.3 49.7 -65.6 -43.1 116.4 55.7 69.6 41 41 A E H X S+ 0 0 52 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.946 114.8 45.7 -60.2 -45.3 117.8 57.1 72.8 42 42 A E H X S+ 0 0 77 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.922 113.2 48.0 -62.5 -48.5 119.7 53.8 73.3 43 43 A L H X S+ 0 0 9 -4,-3.2 4,-2.2 1,-0.2 -2,-0.2 0.916 113.6 47.0 -61.5 -45.2 121.0 53.6 69.7 44 44 A L H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.900 110.9 51.2 -66.4 -40.2 122.2 57.1 69.6 45 45 A K H X S+ 0 0 111 -4,-2.2 4,-2.9 -5,-0.3 5,-0.2 0.940 113.5 44.8 -61.8 -46.2 124.0 56.9 73.0 46 46 A E H X S+ 0 0 19 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.882 114.6 49.3 -63.8 -39.2 125.8 53.8 72.0 47 47 A T H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.2 5,-0.2 0.930 114.1 45.2 -66.3 -45.4 126.7 55.3 68.6 48 48 A V H X S+ 0 0 18 -4,-3.0 4,-3.1 2,-0.2 -2,-0.2 0.898 114.2 47.8 -67.2 -40.8 127.9 58.5 70.1 49 49 A E H X S+ 0 0 101 -4,-2.9 4,-2.6 -5,-0.2 5,-0.2 0.924 113.3 48.6 -67.4 -41.1 129.9 56.7 72.8 50 50 A V H X S+ 0 0 10 -4,-2.5 4,-1.6 -5,-0.2 -2,-0.2 0.956 118.4 39.2 -61.2 -50.4 131.5 54.4 70.3 51 51 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.4 0.900 114.7 54.1 -67.2 -40.1 132.4 57.2 67.9 52 52 A G H X S+ 0 0 8 -4,-3.1 4,-2.2 -5,-0.2 -1,-0.2 0.894 109.5 47.5 -60.7 -39.8 133.4 59.4 70.8 53 53 A E H < S+ 0 0 134 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.829 113.0 50.7 -70.7 -30.8 135.8 56.8 72.1 54 54 A A H < S+ 0 0 13 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.909 131.4 10.0 -74.9 -43.7 137.2 56.3 68.7 55 55 A V H < S- 0 0 33 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.476 124.9 -64.3-117.1 -4.8 138.0 59.9 67.7 56 56 A G >X - 0 0 19 -4,-2.2 3,-2.3 -5,-0.4 4,-0.6 0.056 33.0-109.8 122.4 127.9 137.5 61.8 71.0 57 57 A Q T 34 S+ 0 0 156 1,-0.3 3,-0.3 2,-0.2 -4,-0.1 0.722 118.7 55.2 -51.6 -27.1 134.6 62.6 73.4 58 58 A D T 34 S+ 0 0 103 1,-0.2 -1,-0.3 -6,-0.2 3,-0.1 0.546 93.5 68.6 -87.1 -10.3 134.8 66.3 72.2 59 59 A K T <4 S+ 0 0 64 -3,-2.3 -36,-3.2 1,-0.2 2,-0.3 0.676 109.7 25.2 -82.1 -19.8 134.3 65.4 68.5 60 60 A I E < +a 23 0A 5 -4,-0.6 2,-0.3 -3,-0.3 -1,-0.2 -0.980 64.1 179.9-150.5 134.5 130.7 64.3 68.9 61 61 A K E -a 24 0A 113 -38,-1.8 -36,-3.0 -2,-0.3 2,-0.5 -0.993 14.8-147.3-138.3 145.4 127.9 65.1 71.4 62 62 A L E -a 25 0A 35 -2,-0.3 2,-0.5 -38,-0.2 -36,-0.2 -0.931 9.6-170.4-114.5 125.9 124.3 64.0 71.8 63 63 A D E -a 26 0A 37 -38,-2.9 -36,-3.1 -2,-0.5 2,-0.5 -0.954 6.9-159.7-113.9 131.5 121.6 66.2 73.2 64 64 A I E -a 27 0A 54 -2,-0.5 2,-0.3 -38,-0.2 -36,-0.2 -0.960 14.5-177.3-114.7 121.6 118.3 64.7 74.1 65 65 A Y E -a 28 0A 31 -38,-2.9 -36,-3.4 -2,-0.5 3,-0.1 -0.794 21.9-142.5-116.7 158.5 115.3 67.0 74.3 66 66 A S >> - 0 0 46 -2,-0.3 4,-3.6 -38,-0.2 3,-1.3 -0.985 16.4-139.4-120.0 118.8 111.7 66.6 75.2 67 67 A P T 34 S+ 0 0 38 0, 0.0 7,-0.1 0, 0.0 -1,-0.1 0.810 103.7 56.0 -46.5 -33.2 109.3 68.8 73.2 68 68 A F T 34 S+ 0 0 195 1,-0.1 3,-0.3 2,-0.1 -38,-0.0 0.859 121.2 26.5 -70.0 -35.2 107.3 69.5 76.4 69 69 A T T <4 S+ 0 0 94 -3,-1.3 2,-1.0 1,-0.2 3,-0.3 0.858 121.4 50.8 -94.2 -43.7 110.3 70.8 78.2 70 70 A H X + 0 0 54 -4,-3.6 4,-2.9 1,-0.2 5,-0.2 -0.450 60.7 152.8 -98.1 62.9 112.6 72.1 75.5 71 71 A K H > S+ 0 0 156 -2,-1.0 4,-2.7 -3,-0.3 5,-0.2 0.883 73.3 53.0 -55.5 -42.7 110.0 74.3 73.6 72 72 A E H > S+ 0 0 143 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.943 112.8 41.4 -60.7 -51.5 112.8 76.5 72.4 73 73 A E H > S+ 0 0 45 2,-0.2 4,-1.9 1,-0.2 6,-0.2 0.901 115.3 52.3 -63.4 -41.9 114.9 73.7 70.9 74 74 A T H <>S+ 0 0 15 -4,-2.9 5,-2.8 1,-0.2 -2,-0.2 0.917 112.7 44.2 -60.1 -46.0 111.8 72.0 69.5 75 75 A E H ><5S+ 0 0 150 -4,-2.7 3,-1.3 -5,-0.2 -2,-0.2 0.912 109.7 56.6 -65.9 -43.8 110.6 75.2 67.8 76 76 A K H 3<5S+ 0 0 134 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.873 114.8 36.9 -57.1 -41.5 114.1 76.0 66.5 77 77 A Y T 3<5S- 0 0 7 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.291 110.0-118.4 -97.5 11.4 114.4 72.7 64.7 78 78 A G T < 5 + 0 0 41 -3,-1.3 2,-0.4 1,-0.2 -3,-0.2 0.864 50.4 172.2 56.4 39.5 110.8 72.5 63.6 79 79 A V < + 0 0 13 -5,-2.8 -1,-0.2 -6,-0.2 3,-0.1 -0.684 20.6 145.9 -84.6 128.5 110.2 69.3 65.6 80 80 A D + 0 0 125 -2,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.420 63.8 50.3-133.5 -13.2 106.6 68.1 65.8 81 81 A R S S- 0 0 52 18,-0.0 -1,-0.2 -14,-0.0 -53,-0.1 -0.860 83.0 -95.8-126.4 159.8 107.1 64.4 65.8 82 82 A V S S+ 0 0 23 -2,-0.3 -46,-0.2 1,-0.3 -53,-0.1 -0.969 93.0 29.4-135.3 148.8 109.3 62.0 67.8 83 83 A P S S+ 0 0 0 0, 0.0 16,-2.8 0, 0.0 2,-0.5 0.519 75.0 168.0 -85.2 143.8 111.7 60.7 67.7 84 84 A T E -BC 28 98A 3 -56,-1.6 -56,-3.0 14,-0.2 2,-0.5 -0.980 17.1-158.4-117.4 128.9 113.4 63.3 65.5 85 85 A I E -BC 27 97A 0 12,-3.6 12,-2.1 -2,-0.5 2,-0.5 -0.924 2.6-163.1-110.7 130.3 117.1 63.2 65.1 86 86 A V E -BC 26 96A 0 -60,-2.3 -60,-2.2 -2,-0.5 2,-0.5 -0.936 1.6-168.2-111.4 131.6 119.1 66.3 64.0 87 87 A I E +B 25 0A 0 8,-1.3 8,-0.5 -2,-0.5 6,-0.4 -0.990 29.1 140.3-119.4 122.6 122.6 65.9 62.7 88 88 A E E -B 24 0A 10 -64,-2.7 -64,-3.5 -2,-0.5 4,-0.2 -0.926 34.7-158.4-151.8 175.4 124.6 69.1 62.4 89 89 A G S S- 0 0 17 2,-1.9 -1,-0.1 -2,-0.3 -66,-0.1 0.169 78.4 -26.2-123.1-117.0 127.9 70.9 62.9 90 90 A D S S+ 0 0 152 -68,-0.1 2,-0.3 -2,-0.0 -67,-0.0 0.744 136.3 30.4 -73.2 -29.7 128.5 74.6 63.4 91 91 A K S S- 0 0 89 0, 0.0 -2,-1.9 0, 0.0 2,-0.7 -0.859 89.6-106.3-129.0 163.7 125.3 75.2 61.5 92 92 A D - 0 0 47 -2,-0.3 -4,-0.1 -4,-0.2 -2,-0.0 -0.831 26.3-172.1 -91.9 116.8 122.0 73.4 61.0 93 93 A Y - 0 0 19 -2,-0.7 72,-0.2 -6,-0.4 77,-0.2 0.369 50.0-105.8 -90.5 4.7 122.0 72.0 57.5 94 94 A G + 0 0 4 1,-0.3 76,-2.5 75,-0.2 2,-0.6 0.767 68.0 154.1 77.4 25.1 118.3 70.9 57.8 95 95 A I E + d 0 170A 2 -8,-0.5 -8,-1.3 74,-0.2 2,-0.3 -0.795 14.1 165.6 -91.5 121.3 119.2 67.3 58.2 96 96 A R E -Cd 86 171A 13 74,-2.4 76,-2.6 -2,-0.6 2,-0.5 -0.986 28.9-162.3-139.2 147.6 116.6 65.3 60.1 97 97 A Y E -Cd 85 172A 0 -12,-2.1 -12,-3.6 -2,-0.3 2,-0.7 -0.997 11.9-163.7-125.9 120.5 115.6 61.7 60.7 98 98 A I E +Cd 84 173A 6 74,-3.5 76,-2.8 -2,-0.5 -14,-0.2 -0.917 62.7 16.3-109.9 107.6 112.1 61.2 62.0 99 99 A G S S- 0 0 0 -16,-2.8 -14,-0.1 -2,-0.7 -2,-0.1 -0.719 109.9 -39.8 125.4-175.8 111.8 57.7 63.5 100 100 A L - 0 0 21 -2,-0.2 2,-2.3 1,-0.1 5,-0.1 -0.758 45.9-147.3 -88.1 115.8 114.2 55.1 64.6 101 101 A P + 0 0 0 0, 0.0 8,-0.2 0, 0.0 2,-0.1 -0.320 56.0 126.0 -79.7 60.1 117.2 54.9 62.2 102 102 A A > + 0 0 26 -2,-2.3 3,-2.1 3,-0.1 6,-0.1 -0.365 48.5 27.8-104.1-173.3 117.7 51.1 62.8 103 103 A G G > S- 0 0 53 1,-0.3 3,-1.5 2,-0.2 4,-0.3 -0.362 135.8 -13.0 60.4-137.8 117.8 48.2 60.4 104 104 A L G 3 S+ 0 0 87 42,-3.3 4,-0.5 1,-0.3 3,-0.4 0.614 134.0 68.4 -72.0 -10.9 119.2 49.3 57.0 105 105 A E G <> S+ 0 0 0 -3,-2.1 4,-2.0 41,-0.3 -1,-0.3 0.532 77.8 81.3 -85.4 -5.2 118.7 52.9 58.1 106 106 A F H <> S+ 0 0 34 -3,-1.5 4,-2.7 1,-0.2 -1,-0.2 0.907 91.3 49.4 -65.6 -40.2 121.5 52.6 60.7 107 107 A T H > S+ 0 0 72 -3,-0.4 4,-3.7 -4,-0.3 5,-0.3 0.856 105.9 58.7 -67.1 -30.7 124.1 53.1 58.0 108 108 A T H > S+ 0 0 0 -4,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.954 108.0 45.6 -59.3 -47.8 122.1 56.1 56.9 109 109 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 -8,-0.2 3,-0.3 0.976 114.8 47.0 -57.4 -57.0 122.5 57.5 60.3 110 110 A I H X S+ 0 0 12 -4,-2.7 4,-2.5 1,-0.3 -2,-0.2 0.907 113.5 47.6 -52.7 -47.7 126.2 56.7 60.4 111 111 A N H X S+ 0 0 58 -4,-3.7 4,-2.6 1,-0.2 -1,-0.3 0.824 109.4 54.6 -65.9 -30.0 126.8 58.2 56.9 112 112 A G H X S+ 0 0 2 -4,-2.1 4,-2.6 -3,-0.3 5,-0.3 0.957 109.0 48.0 -66.2 -47.8 124.9 61.3 57.9 113 113 A I H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.932 115.3 44.7 -55.9 -49.7 127.2 61.8 60.8 114 114 A F H X S+ 0 0 1 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.918 112.3 49.9 -64.0 -46.3 130.3 61.3 58.7 115 115 A H H <>S+ 0 0 21 -4,-2.6 5,-1.3 1,-0.2 4,-0.2 0.917 115.4 44.2 -60.1 -42.7 129.2 63.5 55.8 116 116 A V H ><5S+ 0 0 0 -4,-2.6 3,-1.5 1,-0.2 -1,-0.2 0.897 110.8 54.6 -68.1 -38.8 128.3 66.2 58.3 117 117 A S H 3<5S+ 0 0 0 -4,-2.7 -96,-2.7 1,-0.3 -1,-0.2 0.854 108.5 50.1 -61.0 -33.2 131.6 65.6 60.1 118 118 A Q T 3<5S- 0 0 19 -4,-2.2 -1,-0.3 2,-0.2 -2,-0.2 0.493 99.2-140.1 -83.2 -5.0 133.3 66.1 56.8 119 119 A R T < 5S+ 0 0 63 -3,-1.5 -3,-0.2 -4,-0.2 -2,-0.1 0.691 73.2 105.2 52.8 16.5 131.4 69.3 56.2 120 120 A K < - 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