==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-NOV-05 2C80 . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE 28 KDA; . SOURCE 2 ORGANISM_SCIENTIFIC: SCHISTOSOMA HAEMATOBIUM; . AUTHOR P.BAIOCCO,L.J.GOURLAY,F.ANGELUCCI,A.BELLELLI,A.E.MIELE, . 416 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20154.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 316 76.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 5.8 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 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 33 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 191 45.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 2 0 0 0 1 1 3 2 0 3 2 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 0 0 0 0 4 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 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 4 A D 0 0 136 0, 0.0 2,-0.6 0, 0.0 56,-0.2 0.000 360.0 360.0 360.0 140.2 -29.0 15.1 -14.7 2 5 A H E -A 56 0A 97 54,-3.2 54,-2.5 26,-0.1 2,-0.5 -0.864 360.0-166.5 -91.5 125.4 -28.0 18.5 -15.9 3 6 A I E -A 55 0A 18 -2,-0.6 26,-3.4 24,-0.3 2,-0.6 -0.962 3.6-171.8-113.6 118.3 -24.6 19.5 -14.5 4 7 A K E -Ab 54 29A 41 50,-2.4 50,-2.4 -2,-0.5 2,-0.6 -0.957 7.9-158.8-112.5 119.3 -23.6 23.1 -14.8 5 8 A V E -Ab 53 30A 0 24,-3.2 26,-2.6 -2,-0.6 2,-0.5 -0.869 11.5-161.1 -96.3 120.0 -20.0 24.1 -13.8 6 9 A I E +Ab 52 31A 3 46,-2.8 46,-1.8 -2,-0.6 2,-0.2 -0.907 30.2 123.7-109.2 121.2 -19.7 27.8 -13.0 7 10 A Y E - b 0 32A 19 24,-2.3 26,-3.4 -2,-0.5 2,-0.1 -0.841 58.0 -78.9-151.2-173.4 -16.4 29.5 -13.0 8 11 A F E - b 0 33A 31 -2,-0.2 2,-2.1 24,-0.2 26,-0.2 -0.377 64.7 -79.1 -85.2 174.1 -14.4 32.4 -14.5 9 12 A N S S+ 0 0 95 24,-0.5 2,-0.3 -2,-0.1 199,-0.2 -0.541 103.2 68.9 -78.9 78.4 -12.8 32.1 -18.0 10 13 A G S S- 0 0 0 -2,-2.1 4,-0.1 1,-0.2 -2,-0.1 -0.978 86.1-104.8-174.7 173.9 -9.9 30.1 -16.9 11 14 A R S >> S+ 0 0 18 197,-3.4 3,-1.2 -2,-0.3 4,-1.1 0.974 72.1 120.6 -76.7 -66.4 -8.6 26.8 -15.6 12 15 A G G >4 S- 0 0 14 1,-0.2 3,-0.6 2,-0.2 4,-0.2 0.001 91.1 -20.0 44.0-134.7 -7.9 27.8 -12.0 13 16 A R G 34 S+ 0 0 42 1,-0.2 4,-0.4 2,-0.1 3,-0.3 0.592 132.3 65.7 -81.0 -13.2 -9.9 25.8 -9.4 14 17 A A G <> S+ 0 0 0 -3,-1.2 4,-2.1 1,-0.2 3,-0.4 0.667 79.5 81.3 -82.4 -16.2 -12.5 24.5 -11.9 15 18 A E H S+ 0 0 11 -3,-0.3 4,-1.8 -4,-0.2 -1,-0.2 0.899 110.9 45.4 -63.2 -40.9 -10.2 19.4 -11.6 17 20 A I H > S+ 0 0 0 -3,-0.4 4,-2.2 -4,-0.4 5,-0.2 0.928 113.2 48.7 -66.5 -48.5 -14.0 19.2 -11.9 18 21 A R H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.953 114.1 46.0 -57.7 -52.4 -14.0 19.6 -15.7 19 22 A M H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 -1,-0.2 0.837 109.2 55.6 -61.2 -39.0 -11.3 17.0 -16.2 20 23 A T H X S+ 0 0 0 -4,-1.8 4,-2.4 -5,-0.2 -1,-0.2 0.948 112.0 42.2 -58.7 -51.7 -13.0 14.5 -13.8 21 24 A L H X>S+ 0 0 1 -4,-2.2 5,-3.3 2,-0.2 4,-0.9 0.880 115.1 50.7 -63.6 -41.0 -16.3 14.7 -15.8 22 25 A V H ><5S+ 0 0 23 -4,-2.5 3,-1.0 -5,-0.2 -2,-0.2 0.958 112.5 45.8 -61.0 -51.0 -14.5 14.5 -19.1 23 26 A A H 3<5S+ 0 0 10 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.878 115.2 47.9 -59.2 -40.5 -12.5 11.5 -18.0 24 27 A A H 3<5S- 0 0 24 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.572 114.2-118.4 -75.8 -12.3 -15.7 9.8 -16.6 25 28 A G T <<5 + 0 0 39 -3,-1.0 2,-0.5 -4,-0.9 -3,-0.2 0.806 62.1 148.9 77.4 31.4 -17.6 10.6 -19.9 26 29 A V < - 0 0 39 -5,-3.3 -1,-0.3 -6,-0.1 2,-0.1 -0.876 42.2-132.7-104.4 126.0 -20.1 12.8 -18.1 27 30 A N + 0 0 146 -2,-0.5 2,-0.3 -5,-0.0 -24,-0.3 -0.448 32.6 166.3 -71.6 146.3 -21.7 15.7 -20.0 28 31 A Y - 0 0 50 -2,-0.1 2,-0.6 -26,-0.1 -24,-0.2 -0.985 40.7-110.3-155.4 156.9 -21.9 19.1 -18.4 29 32 A E E -b 4 0A 79 -26,-3.4 -24,-3.2 -2,-0.3 2,-1.0 -0.839 28.8-150.6 -88.3 120.6 -22.6 22.8 -19.2 30 33 A D E -b 5 0A 54 -2,-0.6 2,-0.6 -26,-0.2 -24,-0.2 -0.794 17.4-169.5 -94.7 94.2 -19.3 24.7 -18.8 31 34 A E E -b 6 0A 56 -26,-2.6 -24,-2.3 -2,-1.0 2,-0.6 -0.774 5.2-165.0 -93.6 120.1 -20.5 28.2 -17.8 32 35 A R E -b 7 0A 77 -2,-0.6 2,-0.5 -26,-0.2 -24,-0.2 -0.904 5.1-155.9-107.8 117.5 -17.8 30.9 -17.8 33 36 A I E -b 8 0A 12 -26,-3.4 -24,-0.5 -2,-0.6 2,-0.1 -0.772 16.1-130.7 -92.2 125.6 -18.6 34.2 -16.0 34 37 A S > - 0 0 70 -2,-0.5 4,-1.0 -26,-0.2 3,-0.5 -0.392 20.4-116.9 -72.1 154.6 -16.8 37.3 -17.1 35 38 A F T 4 S+ 0 0 134 1,-0.2 -1,-0.1 2,-0.2 -2,-0.0 0.764 116.7 56.3 -62.9 -26.3 -15.2 39.6 -14.5 36 39 A Q T 4 S+ 0 0 164 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.841 110.2 43.2 -70.1 -38.5 -17.6 42.4 -15.5 37 40 A D T >> S+ 0 0 65 -3,-0.5 4,-1.8 1,-0.2 3,-0.8 0.571 90.2 90.0 -85.0 -12.5 -20.6 40.2 -14.8 38 41 A W H 3X S+ 0 0 43 -4,-1.0 4,-3.4 1,-0.2 -1,-0.2 0.891 76.7 62.4 -56.0 -47.5 -19.3 38.8 -11.5 39 42 A P H 34 S+ 0 0 88 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.830 111.6 37.2 -48.1 -40.8 -20.8 41.5 -9.3 40 43 A K H <4 S+ 0 0 143 -3,-0.8 4,-0.4 -4,-0.2 -2,-0.2 0.829 119.1 48.2 -82.9 -31.1 -24.4 40.6 -10.3 41 44 A I H >X S+ 0 0 46 -4,-1.8 3,-1.7 1,-0.2 4,-0.8 0.887 95.2 76.1 -71.7 -38.8 -23.9 36.9 -10.4 42 45 A K G >< S+ 0 0 93 -4,-3.4 3,-1.1 1,-0.3 6,-0.2 0.812 92.5 50.6 -43.3 -50.8 -22.1 36.8 -7.0 43 46 A P G 34 S+ 0 0 105 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.775 106.1 56.5 -61.2 -27.2 -25.3 37.1 -4.9 44 47 A T G <4 S+ 0 0 92 -3,-1.7 -2,-0.2 -4,-0.4 -3,-0.1 0.624 91.6 87.0 -79.0 -13.7 -27.0 34.3 -6.9 45 48 A I S X< S- 0 0 7 -3,-1.1 3,-2.3 -4,-0.8 2,-0.2 -0.783 85.6-123.1 -91.2 119.1 -24.2 31.9 -5.9 46 49 A P T 3 S+ 0 0 56 0, 0.0 3,-0.4 0, 0.0 -2,-0.1 -0.456 103.3 13.0 -59.6 122.5 -24.6 30.1 -2.6 47 50 A G T 3 S- 0 0 56 -2,-0.2 3,-0.1 1,-0.2 297,-0.1 0.225 109.9-111.0 90.0 -14.1 -21.4 31.0 -0.6 48 51 A G S < S+ 0 0 12 -3,-2.3 2,-0.3 -6,-0.2 -1,-0.2 0.606 82.9 97.9 66.4 17.0 -20.6 33.7 -3.1 49 52 A R - 0 0 101 -3,-0.4 -1,-0.2 2,-0.1 18,-0.1 -0.925 64.9 -88.9-133.6 160.1 -17.5 32.1 -4.6 50 53 A L S S+ 0 0 22 -2,-0.3 -43,-0.1 -3,-0.1 2,-0.1 -0.874 87.9 57.1-116.6 153.8 -16.5 30.0 -7.6 51 54 A P S S+ 0 0 9 0, 0.0 16,-0.6 0, 0.0 2,-0.4 0.392 70.1 163.7 -66.5 143.6 -16.2 27.1 -8.6 52 55 A A E -AC 6 66A 0 -46,-1.8 -46,-2.8 14,-0.1 2,-0.5 -0.990 23.4-153.7-129.5 141.9 -19.9 26.4 -8.0 53 56 A V E -AC 5 65A 0 12,-2.9 12,-2.5 -2,-0.4 2,-0.6 -0.974 3.4-162.7-120.1 124.7 -21.7 23.4 -9.5 54 57 A K E -AC 4 64A 64 -50,-2.4 -50,-2.4 -2,-0.5 2,-0.5 -0.939 8.1-168.7-109.4 117.8 -25.5 23.4 -10.0 55 58 A I E -AC 3 63A 19 8,-3.1 8,-3.3 -2,-0.6 2,-0.5 -0.931 3.6-172.8-112.6 122.2 -27.1 20.0 -10.5 56 59 A T E -AC 2 62A 47 -54,-2.5 -54,-3.2 -2,-0.5 6,-0.2 -0.968 8.9-155.3-115.4 123.8 -30.7 19.7 -11.7 57 60 A D > - 0 0 54 4,-2.0 3,-1.3 -2,-0.5 -2,-0.0 -0.420 34.6-103.9 -86.8 167.5 -32.4 16.3 -11.9 58 61 A N T 3 S+ 0 0 133 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.393 120.1 60.0 -76.9 7.5 -35.3 15.5 -14.2 59 62 A H T 3 S- 0 0 137 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 -0.057 123.3 -99.1-119.7 28.8 -37.6 15.8 -11.2 60 63 A G S < S+ 0 0 58 -3,-1.3 2,-0.2 1,-0.2 -2,-0.1 0.449 71.2 147.2 76.3 4.0 -36.7 19.4 -10.4 61 64 A H - 0 0 127 1,-0.0 -4,-2.0 2,-0.0 2,-0.5 -0.551 32.3-157.4 -73.4 134.0 -34.2 18.9 -7.6 62 65 A V E -C 56 0A 75 -2,-0.2 2,-0.6 -6,-0.2 -6,-0.2 -0.967 8.3-172.0-115.8 114.3 -31.5 21.5 -7.5 63 66 A K E -C 55 0A 57 -8,-3.3 -8,-3.1 -2,-0.5 2,-0.4 -0.936 6.2-159.5-108.3 119.0 -28.3 20.5 -5.8 64 67 A W E -C 54 0A 76 -2,-0.6 2,-0.4 -10,-0.2 -10,-0.2 -0.849 10.2-172.8 -95.7 135.3 -25.6 23.2 -5.3 65 68 A M E +C 53 0A 0 -12,-2.5 -12,-2.9 -2,-0.4 2,-0.3 -0.991 5.2 176.9-129.8 136.8 -22.0 22.2 -4.7 66 69 A V E +C 52 0A 31 -2,-0.4 -14,-0.1 -14,-0.2 -16,-0.1 -0.806 45.2 66.9-128.8 174.0 -18.9 24.2 -3.7 67 70 A E >> - 0 0 30 -16,-0.6 4,-2.3 -2,-0.3 3,-1.0 0.922 69.4-133.6 72.2 96.0 -15.2 23.6 -2.9 68 71 A S H 3> S+ 0 0 4 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.817 99.4 42.6 -50.4 -50.3 -13.6 22.4 -6.1 69 72 A L H 3> S+ 0 0 11 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.729 112.2 55.7 -76.6 -19.3 -11.6 19.4 -4.8 70 73 A A H <> S+ 0 0 1 -3,-1.0 4,-2.1 2,-0.2 -1,-0.2 0.910 112.0 43.7 -70.0 -46.2 -14.5 18.3 -2.6 71 74 A I H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.942 115.0 48.4 -59.5 -51.1 -16.7 18.2 -5.7 72 75 A A H X S+ 0 0 0 -4,-2.8 4,-3.3 1,-0.2 5,-0.2 0.905 111.7 49.7 -59.9 -44.0 -14.1 16.5 -7.9 73 76 A R H X S+ 0 0 14 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.877 111.4 49.8 -60.7 -43.1 -13.5 13.9 -5.1 74 77 A Y H X S+ 0 0 30 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.961 115.7 41.4 -56.3 -56.9 -17.2 13.3 -4.9 75 78 A M H X S+ 0 0 9 -4,-2.9 4,-1.3 1,-0.2 -2,-0.2 0.906 115.5 50.5 -61.4 -44.3 -17.5 12.9 -8.7 76 79 A A H <>S+ 0 0 0 -4,-3.3 5,-3.2 -5,-0.2 6,-0.4 0.902 110.3 50.2 -59.2 -44.7 -14.3 10.8 -8.9 77 80 A K H ><5S+ 0 0 77 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.926 107.1 54.3 -60.5 -46.6 -15.6 8.5 -6.2 78 81 A K H 3<5S+ 0 0 88 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.792 115.2 40.8 -54.9 -32.3 -18.9 8.0 -8.0 79 82 A H T 3<5S- 0 0 79 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.013 119.2-104.9-113.2 26.7 -17.0 6.9 -11.1 80 83 A H T < 5S+ 0 0 165 -3,-1.6 -3,-0.2 1,-0.1 3,-0.2 0.840 81.9 126.1 57.2 44.7 -14.3 4.8 -9.4 81 84 A M < + 0 0 10 -5,-3.2 74,-2.5 -8,-0.1 75,-0.3 0.053 54.6 72.8-116.3 21.4 -11.5 7.3 -9.8 82 85 A M S S- 0 0 9 -6,-0.4 11,-0.2 1,-0.4 10,-0.2 0.195 111.9 -68.4-119.1 13.3 -10.4 7.5 -6.1 83 86 A G - 0 0 28 -3,-0.2 -1,-0.4 1,-0.1 3,-0.1 -0.053 26.7-123.4 110.6 144.7 -8.7 4.1 -5.8 84 87 A G S S+ 0 0 68 -3,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.647 96.0 28.2 -92.1 -20.1 -9.8 0.4 -5.7 85 88 A T S > S- 0 0 76 1,-0.1 4,-2.8 -3,-0.0 5,-0.1 -0.865 87.5-105.0-132.6 168.0 -8.3 -0.2 -2.3 86 89 A E H > S+ 0 0 80 -2,-0.3 4,-2.0 2,-0.2 5,-0.1 0.861 123.9 52.1 -56.9 -37.8 -7.5 1.7 0.9 87 90 A E H > S+ 0 0 83 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.894 110.7 45.0 -67.7 -45.4 -3.8 1.6 -0.2 88 91 A E H > S+ 0 0 62 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.872 110.5 56.4 -63.4 -41.2 -4.6 3.0 -3.7 89 92 A Y H X S+ 0 0 14 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.910 106.5 49.4 -54.6 -46.9 -6.9 5.6 -2.0 90 93 A Y H X S+ 0 0 8 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.927 111.9 48.1 -57.9 -47.1 -3.9 6.8 0.1 91 94 A N H X S+ 0 0 39 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.844 109.6 51.8 -67.5 -37.4 -1.7 7.0 -3.0 92 95 A V H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.958 115.4 43.1 -54.9 -54.6 -4.3 9.0 -5.0 93 96 A E H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.836 108.6 58.2 -63.3 -37.6 -4.5 11.4 -2.0 94 97 A K H X S+ 0 0 19 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.939 110.2 43.5 -58.0 -48.1 -0.7 11.5 -1.5 95 98 A L H X S+ 0 0 2 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.848 111.8 52.5 -67.4 -36.8 -0.3 12.8 -5.1 96 99 A I H X S+ 0 0 1 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.920 111.1 49.2 -62.7 -42.6 -3.2 15.3 -4.8 97 100 A G H X S+ 0 0 16 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.914 112.8 45.7 -62.0 -45.0 -1.6 16.6 -1.7 98 101 A Q H X S+ 0 0 6 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.884 115.0 47.5 -65.8 -39.5 1.8 17.0 -3.4 99 102 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.858 109.9 52.6 -71.1 -36.9 0.3 18.6 -6.5 100 103 A E H X S+ 0 0 31 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.843 104.7 56.3 -67.2 -34.6 -1.8 21.0 -4.4 101 104 A D H X S+ 0 0 32 -4,-1.8 4,-1.0 2,-0.2 -1,-0.2 0.920 109.4 46.3 -57.1 -45.7 1.4 22.1 -2.5 102 105 A L H >X S+ 0 0 2 -4,-1.5 4,-2.1 2,-0.2 3,-0.5 0.889 108.7 55.1 -64.2 -42.9 2.9 23.0 -5.9 103 106 A E H 3X S+ 0 0 7 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.900 106.4 52.1 -57.1 -41.3 -0.4 24.8 -6.9 104 107 A H H 3X S+ 0 0 32 -4,-2.2 4,-0.6 2,-0.2 -1,-0.2 0.706 105.2 54.6 -71.8 -22.5 -0.0 26.9 -3.7 105 108 A E H X< S+ 0 0 12 -4,-1.0 3,-0.9 -3,-0.5 4,-0.3 0.916 108.7 49.4 -68.8 -45.9 3.6 27.8 -4.6 106 109 A Y H >< S+ 0 0 11 -4,-2.1 3,-1.2 1,-0.2 4,-0.3 0.803 101.9 63.9 -60.0 -33.6 2.2 29.0 -8.0 107 110 A Y H >< S+ 0 0 65 -4,-1.5 3,-1.5 1,-0.2 -1,-0.2 0.787 87.7 69.4 -62.1 -32.0 -0.5 31.1 -6.2 108 111 A K T << S+ 0 0 109 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.726 95.9 55.2 -56.8 -25.8 2.2 33.3 -4.5 109 112 A T T X S+ 0 0 4 -3,-1.2 3,-0.6 -4,-0.3 -1,-0.3 0.579 91.5 98.3 -85.3 -12.8 2.9 34.8 -8.0 110 113 A L T < S+ 0 0 65 -3,-1.5 -3,-0.0 -4,-0.3 0, 0.0 -0.431 81.1 16.4 -85.4 153.3 -0.7 35.8 -8.6 111 114 A M T 3 S+ 0 0 184 1,-0.2 -1,-0.2 -2,-0.1 -2,-0.0 0.730 98.1 125.1 59.3 26.6 -2.4 39.3 -8.1 112 115 A K < - 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