==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-APR-98 1CA1 . COMPND 2 MOLECULE: ALPHA-TOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PERFRINGENS; . AUTHOR C.E.NAYLOR,A.K.BASAK,R.W.TITBALL . 370 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16019.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 253 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 18 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 36.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 0 0 0 1 1 0 0 2 0 0 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 2 0 1 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 W 0 0 3 0, 0.0 152,-0.1 0, 0.0 151,-0.1 0.000 360.0 360.0 360.0 148.3 10.1 17.7 28.7 2 2 A D + 0 0 55 150,-0.4 9,-2.0 147,-0.1 2,-0.3 -0.279 360.0 172.6 -70.1 163.9 8.2 20.4 26.9 3 3 A G - 0 0 0 7,-0.2 2,-0.3 6,-0.2 6,-0.2 -0.913 24.2-132.8-174.2 142.2 7.4 23.7 28.6 4 4 A K B >> -A 8 0A 118 4,-3.0 3,-2.2 -2,-0.3 4,-0.9 -0.849 25.6-118.9-106.4 145.9 5.9 27.1 27.7 5 5 A I T 34 S+ 0 0 89 -2,-0.3 48,-0.1 1,-0.3 49,-0.1 0.729 110.3 65.8 -53.3 -24.6 7.4 30.5 28.5 6 6 A D T 34 S- 0 0 88 47,-0.1 -1,-0.3 1,-0.1 44,-0.1 0.313 124.8 -98.5 -81.6 11.2 4.3 31.5 30.6 7 7 A G T <4 S+ 0 0 3 -3,-2.2 2,-0.3 1,-0.3 -2,-0.2 0.923 86.3 115.8 76.3 39.6 5.2 28.7 33.0 8 8 A T B < +A 4 0A 62 -4,-0.9 -4,-3.0 42,-0.1 -1,-0.3 -0.822 37.3 64.8-128.6 171.9 2.9 26.0 31.8 9 9 A G S >> S- 0 0 8 -2,-0.3 4,-1.9 -6,-0.2 3,-1.1 -0.365 99.8 -42.2 105.8 174.2 3.6 22.6 30.3 10 10 A T H 3> S+ 0 0 0 1,-0.3 4,-2.5 2,-0.2 -7,-0.2 0.849 133.5 55.2 -45.7 -48.5 5.2 19.3 31.5 11 11 A H H 3> S+ 0 0 3 -9,-2.0 4,-1.4 1,-0.2 -1,-0.3 0.875 109.6 46.5 -54.7 -39.9 8.0 21.2 33.2 12 12 A A H <> S+ 0 0 6 -3,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.796 109.2 55.2 -73.5 -32.8 5.5 23.2 35.3 13 13 A M H X S+ 0 0 12 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.919 104.2 54.9 -68.0 -40.2 3.5 20.1 36.1 14 14 A I H X S+ 0 0 3 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.928 113.9 38.3 -60.9 -45.9 6.7 18.4 37.5 15 15 A V H X S+ 0 0 2 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.849 115.4 52.5 -74.3 -35.0 7.5 21.2 40.0 16 16 A T H X S+ 0 0 36 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.922 114.3 44.1 -64.4 -41.4 3.9 21.9 40.9 17 17 A Q H X S+ 0 0 19 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.882 105.8 62.6 -69.1 -38.1 3.5 18.2 41.6 18 18 A G H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.870 105.4 46.0 -54.6 -39.9 6.8 18.2 43.5 19 19 A V H X S+ 0 0 2 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.941 112.9 48.1 -70.7 -45.8 5.4 20.6 46.1 20 20 A S H X S+ 0 0 42 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.903 110.3 52.7 -58.2 -47.5 2.1 18.8 46.5 21 21 A I H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 3,-0.2 0.955 109.7 49.5 -52.6 -50.9 3.9 15.5 46.9 22 22 A L H X S+ 0 0 0 -4,-1.9 4,-1.4 1,-0.3 -2,-0.2 0.920 108.7 51.7 -54.8 -51.0 6.1 17.0 49.6 23 23 A E H < S+ 0 0 92 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.853 111.8 49.1 -52.1 -42.7 3.0 18.4 51.4 24 24 A N H < S+ 0 0 84 -4,-2.2 -1,-0.2 -3,-0.2 -2,-0.2 0.895 116.0 39.1 -65.0 -44.3 1.6 14.9 51.3 25 25 A D H < S+ 0 0 4 -4,-2.5 146,-2.7 -5,-0.1 147,-0.3 0.512 82.2 126.5 -88.3 -5.4 4.6 13.1 52.7 26 26 A L < - 0 0 22 -4,-1.4 2,-0.1 -5,-0.2 144,-0.0 -0.342 56.5-135.8 -59.2 120.9 5.6 15.7 55.2 27 27 A S > - 0 0 17 -2,-0.1 3,-1.3 1,-0.1 -1,-0.1 -0.466 12.9-120.4 -76.7 155.2 5.9 14.0 58.6 28 28 A K T 3 S+ 0 0 199 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.1 0.789 111.2 58.4 -65.3 -31.0 4.4 15.5 61.8 29 29 A N T 3 S+ 0 0 119 2,-0.0 -1,-0.3 3,-0.0 3,-0.1 0.172 77.6 126.2 -85.5 16.3 7.8 15.7 63.5 30 30 A E S < S- 0 0 15 -3,-1.3 5,-0.1 1,-0.1 142,-0.0 -0.608 74.6 -92.6 -74.5 136.0 9.1 17.8 60.7 31 31 A P >> - 0 0 48 0, 0.0 4,-1.6 0, 0.0 3,-0.7 -0.151 26.5-125.4 -50.1 144.0 10.7 21.1 62.0 32 32 A E H 3> S+ 0 0 137 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.831 108.8 57.7 -60.0 -39.7 8.4 24.1 62.2 33 33 A S H 3> S+ 0 0 44 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.819 103.6 54.2 -61.8 -34.9 10.8 26.3 60.2 34 34 A V H <> S+ 0 0 0 -3,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.950 108.0 49.9 -64.9 -44.7 10.6 23.8 57.3 35 35 A R H X S+ 0 0 93 -4,-1.6 4,-1.4 1,-0.2 -2,-0.2 0.873 112.7 46.8 -60.7 -41.3 6.7 24.1 57.4 36 36 A K H X S+ 0 0 112 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.929 110.3 51.1 -68.9 -45.1 6.9 27.9 57.3 37 37 A N H X S+ 0 0 21 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.869 106.9 55.1 -62.4 -30.6 9.4 28.0 54.5 38 38 A L H X S+ 0 0 4 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.897 105.4 53.0 -68.6 -35.9 7.2 25.7 52.5 39 39 A E H X S+ 0 0 98 -4,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.880 109.1 48.4 -65.8 -36.7 4.3 28.1 52.9 40 40 A I H X S+ 0 0 37 -4,-1.8 4,-0.7 1,-0.2 -2,-0.2 0.920 110.7 52.7 -68.1 -38.6 6.5 30.9 51.6 41 41 A L H >< S+ 0 0 0 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.904 108.2 48.4 -62.2 -44.6 7.4 28.6 48.7 42 42 A K H >< S+ 0 0 61 -4,-2.6 3,-1.6 1,-0.3 -1,-0.2 0.841 104.7 61.1 -64.5 -30.9 3.7 27.8 47.8 43 43 A E H 3< S+ 0 0 158 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.720 109.0 43.5 -67.4 -23.2 3.1 31.6 47.9 44 44 A N T XX S+ 0 0 34 -3,-0.9 4,-1.4 -4,-0.7 3,-1.2 0.031 75.5 129.9-112.3 27.2 5.6 31.9 45.1 45 45 A M H <> + 0 0 37 -3,-1.6 4,-2.7 1,-0.3 3,-0.3 0.856 67.9 56.4 -50.0 -46.3 4.4 28.9 43.0 46 46 A H H 3> S+ 0 0 103 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.803 105.1 51.9 -60.9 -31.7 4.2 30.9 39.7 47 47 A E H <> S+ 0 0 39 -3,-1.2 4,-2.6 2,-0.2 -1,-0.2 0.865 109.1 50.3 -72.6 -31.0 7.9 31.8 40.0 48 48 A L H X S+ 0 0 0 -4,-1.4 4,-1.9 -3,-0.3 -2,-0.2 0.932 113.4 47.0 -66.6 -45.6 8.8 28.2 40.5 49 49 A Q H X S+ 0 0 40 -4,-2.7 4,-0.9 2,-0.2 -2,-0.2 0.919 112.9 47.9 -63.1 -42.2 6.7 27.4 37.5 50 50 A L H >X S+ 0 0 38 -4,-2.6 4,-2.2 1,-0.2 3,-0.9 0.937 111.9 49.2 -65.9 -43.7 8.3 30.2 35.4 51 51 A G H 3< S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.876 105.1 60.2 -63.7 -33.3 11.8 29.1 36.4 52 52 A S H 3< S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.753 116.1 31.0 -66.9 -24.1 11.0 25.5 35.5 53 53 A T H X< S+ 0 0 0 -4,-0.9 3,-1.1 -3,-0.9 4,-0.4 0.645 98.5 88.0-107.3 -17.0 10.3 26.4 31.9 54 54 A Y G >X + 0 0 75 -4,-2.2 3,-2.0 1,-0.2 4,-0.8 0.776 69.6 69.2 -55.7 -41.1 12.6 29.4 31.4 55 55 A P G 34 S+ 0 0 2 0, 0.0 -1,-0.2 0, 0.0 3,-0.2 0.757 96.4 56.2 -53.4 -28.1 15.9 27.7 30.2 56 56 A D G <4 S+ 0 0 35 -3,-1.1 -2,-0.2 1,-0.2 -51,-0.1 0.672 115.5 37.2 -76.1 -17.9 14.4 26.7 26.9 57 57 A Y T <4 S+ 0 0 88 -3,-2.0 2,-0.4 -4,-0.4 -1,-0.2 0.328 81.9 127.1-114.0 1.5 13.5 30.3 26.1 58 58 A D >< - 0 0 31 -4,-0.8 3,-1.7 -3,-0.2 -4,-0.0 -0.505 56.9-143.3 -66.3 119.0 16.5 31.9 27.6 59 59 A K T 3 S+ 0 0 193 -2,-0.4 -1,-0.2 1,-0.3 244,-0.1 0.712 99.4 53.3 -57.4 -25.0 17.8 34.2 24.8 60 60 A N T 3 S+ 0 0 51 2,-0.0 -1,-0.3 240,-0.0 2,-0.1 -0.053 82.2 132.2-100.9 31.2 21.4 33.5 25.8 61 61 A A < - 0 0 30 -3,-1.7 2,-0.1 1,-0.1 -5,-0.1 -0.421 69.8 -95.3 -74.4 154.1 20.8 29.8 25.7 62 62 A Y > - 0 0 47 1,-0.1 3,-1.0 -2,-0.1 -1,-0.1 -0.435 38.1-108.5 -68.7 153.2 23.5 27.8 23.8 63 63 A D T 3 S+ 0 0 157 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.784 118.0 25.4 -52.4 -37.2 22.5 27.2 20.1 64 64 A L T 3 S- 0 0 97 18,-0.0 -1,-0.3 77,-0.0 4,-0.1 0.299 105.5-116.5-110.6 5.3 21.9 23.5 20.8 65 65 A Y X + 0 0 89 -3,-1.0 3,-2.5 1,-0.1 4,-0.1 0.875 51.2 167.2 63.1 35.2 21.0 23.6 24.5 66 66 A Q G > + 0 0 12 1,-0.3 3,-1.7 2,-0.2 28,-0.3 0.857 68.1 58.5 -49.8 -43.0 24.1 21.5 25.1 67 67 A D G 3 S+ 0 0 5 1,-0.3 -1,-0.3 26,-0.2 30,-0.2 0.471 88.9 72.2 -68.6 -6.6 24.0 22.1 28.8 68 68 A H G < S+ 0 0 2 -3,-2.5 -1,-0.3 25,-0.1 2,-0.3 0.388 94.8 73.8 -87.7 5.1 20.5 20.6 29.0 69 69 A F < + 0 0 10 -3,-1.7 25,-2.4 23,-0.2 26,-0.2 -0.777 50.2 161.8-116.9 159.4 22.3 17.2 28.4 70 70 A W - 0 0 0 66,-0.9 7,-0.2 -2,-0.3 69,-0.2 -0.733 27.5-145.2-176.4 121.8 24.4 14.9 30.5 71 71 A D > - 0 0 14 5,-2.5 4,-2.3 -2,-0.2 5,-0.3 -0.872 12.7-152.2 -92.4 121.1 25.4 11.2 30.1 72 72 A P T 4 S+ 0 0 2 0, 0.0 -1,-0.1 0, 0.0 126,-0.1 0.804 94.6 47.5 -65.4 -21.2 25.6 9.9 33.7 73 73 A D T 4 S+ 0 0 96 64,-0.3 125,-0.0 1,-0.1 121,-0.0 0.869 122.8 28.3 -84.0 -45.8 28.1 7.3 32.4 74 74 A T T 4 S- 0 0 67 2,-0.2 -1,-0.1 0, 0.0 3,-0.1 0.621 98.4-135.4 -90.2 -18.7 30.5 9.5 30.4 75 75 A D < + 0 0 59 -4,-2.3 2,-0.3 1,-0.2 -2,-0.0 0.642 67.3 96.7 71.4 21.4 29.8 12.5 32.6 76 76 A N S S- 0 0 36 -5,-0.3 -5,-2.5 17,-0.0 3,-0.3 -0.857 79.7-104.9-135.5 167.6 29.4 14.9 29.6 77 77 A N S > S- 0 0 1 -2,-0.3 4,-0.5 -7,-0.2 -10,-0.1 -0.614 100.9 -20.8 -85.9 149.0 26.9 16.5 27.4 78 78 A F T 4 S- 0 0 6 1,-0.3 2,-3.1 -2,-0.2 -1,-0.2 0.500 112.3 -69.5 7.8 59.4 27.0 14.8 24.0 79 79 A S T 4 S- 0 0 88 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 -0.159 118.2 -27.4 69.3 -46.7 30.6 13.3 24.3 80 80 A K T 4 S+ 0 0 81 -2,-3.1 2,-0.7 -4,-0.1 4,-0.4 0.047 89.4 152.3 165.3 63.3 31.6 16.9 24.0 81 81 A D < + 0 0 73 -4,-0.5 -2,-0.1 2,-0.2 -4,-0.0 -0.973 65.7 65.2-110.2 103.4 29.0 18.7 22.1 82 82 A N S S- 0 0 18 -2,-0.7 -1,-0.1 -4,-0.1 -19,-0.1 -0.554 131.2 -96.2-176.7 -54.0 29.2 22.3 23.3 83 83 A S - 0 0 59 -17,-0.0 -2,-0.2 2,-0.0 -4,-0.0 0.445 46.0-109.5 118.3 67.0 32.5 21.7 21.7 84 84 A W - 0 0 161 -4,-0.4 2,-0.4 1,-0.1 -2,-0.1 0.403 31.2-150.7 -3.9 134.3 34.8 20.7 24.4 85 85 A Y - 0 0 78 0, 0.0 5,-0.5 0, 0.0 3,-0.3 -0.963 3.7-151.4-130.1 129.7 37.5 23.1 25.3 86 86 A L + 0 0 163 -2,-0.4 3,-0.1 1,-0.2 0, 0.0 -0.637 69.1 13.3 -95.9 155.2 40.9 22.2 26.7 87 87 A A S S+ 0 0 92 -2,-0.2 204,-0.2 1,-0.2 -1,-0.2 0.792 128.9 23.0 53.1 51.8 43.1 24.3 28.9 88 88 A Y S S+ 0 0 45 -3,-0.3 -1,-0.2 202,-0.1 205,-0.1 0.124 105.2 60.8 165.3 -38.2 40.7 27.2 30.1 89 89 A S - 0 0 7 -4,-0.2 219,-0.9 204,-0.1 205,-0.1 0.973 51.6-155.1 -76.1-106.2 37.0 26.3 30.0 90 90 A I - 0 0 57 -5,-0.5 218,-0.2 217,-0.1 -4,-0.1 0.842 29.1-129.6 103.0 81.3 34.8 23.6 31.6 91 91 A P - 0 0 32 0, 0.0 2,-0.3 0, 0.0 216,-0.0 -0.184 23.8-118.4 -48.9 140.9 31.6 22.9 29.5 92 92 A D - 0 0 3 214,-0.1 2,-0.3 4,-0.1 -23,-0.2 -0.679 30.6-172.3 -90.8 147.2 28.3 23.0 31.4 93 93 A T > - 0 0 12 -2,-0.3 4,-2.3 -25,-0.1 5,-0.3 -0.877 42.7 -98.5-130.3 164.4 26.0 19.9 31.7 94 94 A G H > S+ 0 0 0 -25,-2.4 4,-1.3 -28,-0.3 -24,-0.1 0.913 124.7 53.8 -49.9 -39.1 22.5 19.4 33.1 95 95 A E H > S+ 0 0 4 -26,-0.2 4,-1.3 1,-0.2 3,-0.3 0.908 108.1 45.6 -63.1 -48.3 24.2 18.2 36.2 96 96 A S H > S+ 0 0 20 -3,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.905 108.8 56.9 -66.0 -37.1 26.4 21.2 36.8 97 97 A Q H X S+ 0 0 8 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.800 100.9 57.8 -62.7 -33.5 23.6 23.7 36.2 98 98 A I H X S+ 0 0 0 -4,-1.3 4,-1.7 -3,-0.3 -1,-0.2 0.918 110.4 44.4 -62.6 -44.1 21.5 22.0 38.9 99 99 A R H X S+ 0 0 41 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.923 112.9 50.9 -66.4 -41.4 24.4 22.8 41.3 100 100 A K H X S+ 0 0 15 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.970 115.5 40.0 -61.4 -55.1 24.9 26.4 40.0 101 101 A F H X S+ 0 0 8 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.799 111.1 58.7 -68.0 -25.9 21.2 27.4 40.3 102 102 A S H X S+ 0 0 3 -4,-1.7 4,-2.1 -5,-0.3 -1,-0.2 0.943 107.0 47.4 -68.5 -42.8 20.8 25.5 43.5 103 103 A A H X S+ 0 0 2 -4,-2.3 4,-2.0 1,-0.2 248,-0.3 0.897 112.4 49.5 -62.8 -40.1 23.6 27.6 45.1 104 104 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.915 109.6 53.0 -65.5 -38.9 22.0 30.8 43.7 105 105 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.868 109.5 46.4 -64.3 -41.7 18.7 29.8 45.1 106 106 A R H X S+ 0 0 22 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.890 111.3 54.0 -68.8 -37.1 20.0 29.3 48.6 107 107 A Y H X S+ 0 0 48 -4,-2.0 4,-0.7 -5,-0.2 -2,-0.2 0.946 111.0 43.2 -61.7 -50.5 21.8 32.6 48.4 108 108 A E H ><>S+ 0 0 5 -4,-2.4 5,-2.5 1,-0.2 3,-0.6 0.878 113.3 52.7 -64.4 -36.5 18.8 34.7 47.5 109 109 A W H ><5S+ 0 0 9 -4,-1.8 3,-2.0 1,-0.2 -1,-0.2 0.887 101.6 59.1 -65.2 -43.1 16.6 32.9 50.0 110 110 A Q H 3<5S+ 0 0 139 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.714 108.2 47.3 -60.6 -21.6 19.0 33.5 52.8 111 111 A R T <<5S- 0 0 120 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.057 120.1-106.1-109.6 27.0 18.6 37.2 52.1 112 112 A G T < 5S+ 0 0 40 -3,-2.0 2,-1.7 1,-0.2 3,-0.2 0.570 78.5 133.0 66.0 9.8 14.8 37.2 52.0 113 113 A N >< + 0 0 64 -5,-2.5 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