==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-FEB-09 3GBS . COMPND 2 MOLECULE: CUTINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS ORYZAE; . AUTHOR Y.GOSSER,Z.LU,G.ALEMU,H.LI,X.KONG,Z.LIU,J.MONTCLARE . 187 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7888.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 128 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.1 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 . 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 . 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 . 14 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 16.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 27.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 2 0 1 0 0 0 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 1 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 26 A L 0 0 144 0, 0.0 4,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 140.4 9.3 4.6 -10.5 2 27 A T + 0 0 138 1,-0.1 2,-0.3 2,-0.0 3,-0.2 0.859 360.0 44.4 -92.9 -42.7 12.2 6.4 -8.8 3 28 A G S S+ 0 0 36 1,-0.1 25,-0.2 2,-0.1 26,-0.1 -0.774 104.7 22.0-110.7 153.0 14.7 3.5 -8.3 4 29 A G S S+ 0 0 2 -2,-0.3 49,-3.1 47,-0.3 -1,-0.1 0.287 107.4 70.9 86.1 -10.3 15.9 0.7 -10.4 5 30 A D B > +A 52 0A 32 47,-0.2 4,-2.3 -3,-0.2 5,-0.2 -0.044 54.5 125.3-127.4 31.7 15.1 2.2 -13.8 6 31 A E H > S+ 0 0 42 45,-2.0 4,-1.2 1,-0.2 46,-0.2 0.721 71.4 53.0 -67.1 -24.3 17.7 5.0 -14.0 7 32 A L H 4 S+ 0 0 4 44,-0.2 -1,-0.2 2,-0.2 45,-0.1 0.930 114.7 41.9 -74.9 -45.0 19.2 4.0 -17.3 8 33 A R H 4 S+ 0 0 81 1,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.848 119.6 44.4 -68.1 -35.5 15.8 4.0 -19.0 9 34 A D H < S- 0 0 109 -4,-2.3 -1,-0.2 2,-0.1 -2,-0.2 0.724 106.3-178.9 -82.4 -21.7 14.7 7.2 -17.2 10 35 A G < + 0 0 21 -4,-1.2 2,-0.1 -5,-0.2 -2,-0.1 0.025 63.0 161.2 64.1 176.5 18.0 9.1 -17.8 11 36 A P - 0 0 91 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.583 61.9-109.0 -78.3 170.5 19.9 11.3 -17.6 12 37 A a - 0 0 61 -2,-0.1 -5,-0.1 77,-0.1 37,-0.1 -0.308 35.5-160.3 -63.4 146.7 23.2 9.6 -18.3 13 38 A K - 0 0 49 37,-0.1 81,-0.1 77,-0.1 35,-0.1 -0.867 31.1-113.5-126.4 159.8 25.6 9.2 -15.4 14 39 A P S S+ 0 0 63 0, 0.0 80,-2.3 0, 0.0 2,-0.4 0.798 107.2 39.2 -62.1 -27.6 29.4 8.6 -15.2 15 40 A I E -bc 49 94A 9 33,-1.8 35,-2.4 78,-0.2 2,-0.5 -0.987 67.0-168.2-128.6 132.9 28.6 5.2 -13.7 16 41 A T E -bc 50 95A 1 78,-2.5 80,-2.4 -2,-0.4 2,-0.6 -0.982 6.0-163.0-122.5 119.9 25.8 2.8 -14.7 17 42 A F E -bc 51 96A 0 33,-2.9 35,-3.5 -2,-0.5 2,-0.5 -0.913 5.4-168.1-105.3 114.5 25.1 -0.2 -12.3 18 43 A I E -bc 52 97A 0 78,-2.2 80,-2.0 -2,-0.6 2,-0.4 -0.914 11.5-178.3-106.1 126.6 23.1 -3.0 -14.0 19 44 A F E -bc 53 98A 0 33,-2.3 35,-2.2 -2,-0.5 2,-0.5 -0.975 21.9-153.8-133.3 139.3 21.7 -5.6 -11.6 20 45 A A E - c 0 99A 0 78,-1.9 80,-1.6 -2,-0.4 83,-0.1 -0.948 26.1-137.7-111.4 121.6 19.7 -8.8 -11.9 21 46 A R - 0 0 16 -2,-0.5 82,-0.2 7,-0.5 9,-0.1 -0.090 18.4 -99.5 -73.9 170.9 17.7 -9.8 -8.8 22 47 A A > - 0 0 7 80,-0.2 3,-1.7 1,-0.2 79,-0.2 -0.409 55.9 -69.0 -86.3 164.7 17.2 -13.2 -7.1 23 48 A S T 3 S+ 0 0 17 1,-0.2 38,-0.2 -2,-0.1 -1,-0.2 -0.239 118.8 12.3 -56.9 141.6 14.1 -15.4 -7.5 24 49 A T T 3 S+ 0 0 106 36,-2.9 -1,-0.2 1,-0.3 37,-0.1 0.188 90.4 134.2 75.7 -12.3 10.9 -14.1 -6.0 25 50 A E < - 0 0 16 -3,-1.7 -1,-0.3 35,-0.2 2,-0.1 -0.459 51.0-132.5 -68.5 136.7 12.4 -10.6 -5.4 26 51 A P > + 0 0 75 0, 0.0 4,-0.6 0, 0.0 -4,-0.1 -0.422 59.6 11.1 -86.7 164.5 10.0 -7.9 -6.5 27 52 A G T 4 S- 0 0 53 1,-0.1 -6,-0.1 2,-0.1 4,-0.1 -0.329 100.3 -59.3 76.2-152.4 10.8 -4.8 -8.6 28 53 A L T 4 S+ 0 0 18 -25,-0.2 26,-0.5 2,-0.2 -7,-0.5 0.829 129.6 29.1-102.8 -45.7 13.9 -4.2 -10.6 29 54 A L T 4 S- 0 0 20 1,-0.3 5,-0.4 24,-0.2 3,-0.3 0.583 102.2-133.6 -93.2 -11.7 16.8 -4.2 -8.1 30 55 A G < - 0 0 10 -4,-0.6 -1,-0.3 1,-0.2 -2,-0.2 -0.462 25.1 -85.7 87.3-167.0 15.2 -6.6 -5.7 31 56 A I S S+ 0 0 126 -2,-0.1 -1,-0.2 -4,-0.1 -4,-0.0 0.175 104.5 39.9-129.3 17.6 15.1 -6.0 -2.0 32 57 A S S > S+ 0 0 39 -3,-0.3 4,-1.3 -10,-0.0 -2,-0.1 0.388 119.5 1.9-127.3 -98.9 18.4 -7.4 -0.8 33 58 A T H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.812 121.1 63.4 -71.7 -31.2 21.8 -7.2 -2.3 34 59 A G H > S+ 0 0 0 -5,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.966 109.0 37.2 -58.8 -57.9 20.8 -5.1 -5.3 35 60 A P H > S+ 0 0 33 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.876 114.1 59.5 -62.5 -36.2 19.7 -2.0 -3.4 36 61 A A H X S+ 0 0 21 -4,-1.3 4,-1.4 2,-0.2 -2,-0.2 0.922 111.8 37.5 -58.5 -47.3 22.6 -2.5 -0.9 37 62 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.922 115.3 54.4 -71.5 -44.7 25.3 -2.3 -3.6 38 63 A b H X S+ 0 0 3 -4,-2.5 4,-2.0 -5,-0.3 -2,-0.2 0.930 110.6 46.0 -54.0 -49.5 23.4 0.5 -5.5 39 64 A N H X S+ 0 0 91 -4,-2.9 4,-1.4 1,-0.2 -1,-0.2 0.843 109.3 54.1 -66.0 -34.8 23.2 2.7 -2.5 40 65 A R H X S+ 0 0 126 -4,-1.4 4,-1.8 -5,-0.3 -1,-0.2 0.907 109.6 48.4 -66.7 -38.4 26.9 2.1 -1.5 41 66 A L H X S+ 0 0 1 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.899 109.1 53.9 -66.6 -38.8 27.9 3.2 -5.0 42 67 A K H < S+ 0 0 65 -4,-2.0 5,-0.3 1,-0.2 -1,-0.2 0.775 109.9 47.0 -66.2 -28.0 25.7 6.3 -4.7 43 68 A L H >< S+ 0 0 144 -4,-1.4 3,-0.5 -3,-0.2 -1,-0.2 0.833 114.6 46.3 -81.4 -33.4 27.3 7.3 -1.4 44 69 A A H 3< S+ 0 0 41 -4,-1.8 -2,-0.2 1,-0.3 -3,-0.2 0.768 125.7 29.5 -79.0 -27.7 30.9 6.8 -2.7 45 70 A R T >< S- 0 0 105 -4,-2.1 3,-2.5 -5,-0.2 -1,-0.3 -0.528 89.8-152.0-132.8 66.1 30.2 8.6 -6.0 46 71 A S T < S- 0 0 94 -3,-0.5 -3,-0.1 1,-0.3 -4,-0.1 -0.084 75.5 -3.8 -44.6 123.5 27.6 11.2 -5.1 47 72 A G T 3 S+ 0 0 61 -5,-0.3 -1,-0.3 2,-0.1 -5,-0.1 0.436 114.1 89.8 71.9 2.2 25.4 12.2 -8.0 48 73 A D < + 0 0 71 -3,-2.5 -33,-1.8 -6,-0.2 2,-0.4 0.222 65.3 88.5-114.1 15.5 27.3 10.0 -10.5 49 74 A V E - b 0 15A 3 -4,-0.2 2,-0.5 -35,-0.2 -33,-0.2 -0.951 45.7-172.2-124.5 130.1 25.5 6.7 -10.3 50 75 A A E - b 0 16A 2 -35,-2.4 -33,-2.9 -2,-0.4 2,-0.5 -0.964 14.7-155.2-114.7 119.9 22.5 5.3 -12.2 51 76 A b E - b 0 17A 0 -2,-0.5 -45,-2.0 -35,-0.2 2,-0.4 -0.839 12.6-177.5 -99.4 131.7 21.2 2.0 -11.0 52 77 A Q E -Ab 5 18A 0 -35,-3.5 -33,-2.3 -2,-0.5 -47,-0.2 -0.976 10.0-155.5-131.5 119.0 19.3 -0.2 -13.5 53 78 A G E - b 0 19A 0 -49,-3.1 2,-0.9 -2,-0.4 -33,-0.2 -0.564 27.9-109.4 -90.5 156.6 17.7 -3.5 -12.6 54 79 A V + 0 0 0 -35,-2.2 -33,-0.3 -26,-0.5 25,-0.1 -0.768 64.8 169.5 -87.9 105.5 17.0 -6.2 -15.2 55 80 A G + 0 0 0 -2,-0.9 4,-0.1 23,-0.1 -27,-0.1 -0.942 19.8 9.3-177.9 171.4 13.2 -6.3 -15.6 56 81 A P S S+ 0 0 100 0, 0.0 -2,-0.1 0, 0.0 19,-0.1 -1.000 118.0 48.7 -85.8 -8.9 10.3 -6.6 -16.2 57 82 A R S S+ 0 0 141 17,-0.1 2,-1.0 1,-0.1 18,-0.2 0.857 101.8 71.2 -58.6 -35.3 10.8 -9.3 -18.8 58 83 A Y - 0 0 0 17,-0.2 -37,-0.1 16,-0.2 -1,-0.1 -0.765 67.9-179.4 -82.2 106.1 13.0 -11.1 -16.3 59 84 A T - 0 0 85 -2,-1.0 -35,-0.2 -4,-0.1 -1,-0.2 0.520 31.1-134.2 -86.7 -8.5 10.3 -12.2 -13.9 60 85 A A + 0 0 1 1,-0.2 -36,-2.9 -37,-0.1 2,-0.2 0.858 43.2 170.0 56.7 38.2 12.6 -13.9 -11.4 61 86 A D - 0 0 53 -38,-0.2 3,-0.4 1,-0.1 4,-0.3 -0.519 41.0-124.4 -81.9 150.4 10.3 -16.9 -11.2 62 87 A L S > S+ 0 0 112 1,-0.2 3,-1.5 -2,-0.2 4,-0.3 0.880 102.9 59.8 -60.7 -45.1 11.4 -20.1 -9.5 63 88 A P G > S+ 0 0 93 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.827 91.7 68.9 -55.3 -35.7 10.9 -22.6 -12.4 64 89 A S G > S+ 0 0 10 -3,-0.4 3,-1.2 1,-0.3 -2,-0.2 0.694 81.6 75.0 -59.9 -20.5 13.4 -20.8 -14.6 65 90 A N G < S+ 0 0 19 -3,-1.5 -1,-0.3 -4,-0.3 -3,-0.1 0.809 93.4 54.1 -61.4 -28.7 16.3 -21.9 -12.4 66 91 A A G < S+ 0 0 80 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.550 85.2 106.7 -83.8 -9.8 15.9 -25.4 -13.9 67 92 A L S X S- 0 0 77 -3,-1.2 3,-2.5 -4,-0.3 5,-0.1 -0.266 91.4 -89.1 -67.4 158.3 16.2 -24.2 -17.6 68 93 A P T 3 S+ 0 0 112 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.805 125.2 31.3 -31.6 -61.8 19.4 -24.9 -19.5 69 94 A E T 3 S- 0 0 31 2,-0.4 40,-0.2 -5,-0.0 3,-0.1 0.295 119.5 -99.7 -89.1 9.7 21.3 -21.8 -18.6 70 95 A G S < S+ 0 0 1 -3,-2.5 2,-0.3 1,-0.2 35,-0.2 0.530 98.2 40.6 87.2 3.8 19.8 -21.3 -15.2 71 96 A T S S- 0 0 1 34,-0.2 -2,-0.4 -6,-0.1 -1,-0.2 -0.946 95.5 -67.4-164.6 179.9 17.3 -18.7 -16.3 72 97 A S > - 0 0 19 -2,-0.3 4,-1.7 1,-0.1 5,-0.1 -0.438 32.6-128.1 -80.8 156.1 14.9 -17.8 -19.1 73 98 A Q H > S+ 0 0 105 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.819 110.9 59.1 -70.1 -29.4 16.0 -16.7 -22.5 74 99 A A H > S+ 0 0 32 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.897 104.6 48.2 -64.8 -42.2 13.8 -13.6 -22.2 75 100 A A H > S+ 0 0 0 -18,-0.2 4,-2.5 2,-0.2 5,-0.2 0.906 112.6 48.6 -65.3 -42.9 15.7 -12.5 -19.1 76 101 A I H X S+ 0 0 2 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.927 112.0 49.0 -62.8 -45.5 19.0 -13.0 -20.8 77 102 A A H X S+ 0 0 53 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.883 111.8 49.6 -61.8 -39.6 17.8 -11.1 -23.9 78 103 A E H X S+ 0 0 19 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.937 112.6 45.9 -65.7 -47.5 16.6 -8.2 -21.7 79 104 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 3,-0.3 0.922 111.4 52.5 -61.0 -46.0 19.9 -8.0 -19.7 80 105 A Q H X S+ 0 0 42 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.909 109.3 50.0 -57.0 -43.1 21.9 -8.1 -22.9 81 106 A G H X S+ 0 0 31 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.788 106.6 55.1 -67.2 -29.2 19.9 -5.3 -24.4 82 107 A L H X S+ 0 0 3 -4,-1.5 4,-2.1 -3,-0.3 -1,-0.2 0.869 107.7 48.6 -72.8 -36.6 20.4 -3.2 -21.3 83 108 A F H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.944 114.5 46.0 -66.0 -45.8 24.1 -3.5 -21.5 84 109 A E H X S+ 0 0 78 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.868 111.7 52.2 -64.5 -36.2 24.0 -2.5 -25.2 85 110 A Q H X S+ 0 0 72 -4,-2.1 4,-3.2 2,-0.2 5,-0.5 0.884 104.7 56.3 -67.8 -39.1 21.6 0.3 -24.4 86 111 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 7,-0.3 0.948 110.1 44.6 -57.7 -48.8 23.9 1.7 -21.8 87 112 A V H < S+ 0 0 29 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.861 120.2 40.2 -65.5 -36.8 26.8 2.0 -24.3 88 113 A S H < S+ 0 0 99 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.936 121.2 39.9 -77.9 -48.3 24.7 3.5 -27.0 89 114 A K H < S+ 0 0 94 -4,-3.2 -3,-0.2 1,-0.3 -2,-0.2 0.839 130.2 28.8 -70.3 -34.8 22.5 5.9 -25.0 90 115 A a >< + 0 0 5 -4,-2.2 3,-2.1 -5,-0.5 -1,-0.3 -0.637 67.0 177.1-130.1 74.6 25.4 6.9 -22.7 91 116 A P T 3 S+ 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.710 81.6 48.8 -49.5 -26.9 28.7 6.7 -24.7 92 117 A D T 3 S+ 0 0 155 2,-0.1 2,-0.1 -77,-0.0 -5,-0.1 0.496 86.7 108.2 -95.8 -4.0 30.7 8.1 -21.7 93 118 A T < - 0 0 5 -3,-2.1 2,-0.5 -7,-0.3 -78,-0.2 -0.419 59.9-141.2 -77.1 149.2 29.4 5.9 -18.9 94 119 A Q E -c 15 0A 73 -80,-2.3 -78,-2.5 -81,-0.1 2,-0.4 -0.926 21.9-137.5-106.5 133.3 31.4 3.1 -17.3 95 120 A I E +cd 16 122A 0 26,-2.4 28,-2.7 -2,-0.5 29,-0.7 -0.744 24.7 173.6-100.4 139.7 29.4 0.0 -16.5 96 121 A V E -cd 17 124A 0 -80,-2.4 -78,-2.2 -2,-0.4 2,-0.3 -0.955 16.3-173.4-131.8 149.5 29.5 -2.1 -13.4 97 122 A A E -cd 18 125A 0 27,-2.4 29,-2.0 -2,-0.3 2,-0.3 -0.909 11.8-178.0-143.1 170.7 27.1 -5.0 -12.8 98 123 A G E -cd 19 126A 0 -80,-2.0 -78,-1.9 -2,-0.3 2,-0.3 -0.989 5.6-164.3-163.5 164.0 25.9 -7.6 -10.4 99 124 A G E -cd 20 127A 0 27,-1.9 29,-2.8 -2,-0.3 2,-0.4 -0.980 8.7-150.7-152.2 157.7 23.6 -10.5 -9.9 100 125 A Y E > - d 0 128A 11 -80,-1.6 3,-2.3 -2,-0.3 29,-0.2 -0.983 62.8 -46.3-137.1 121.8 22.1 -12.5 -7.0 101 126 A S T >> S+ 0 0 11 27,-2.7 3,-2.2 -2,-0.4 4,-0.9 -0.345 138.2 11.0 58.7-123.2 21.1 -16.2 -7.3 102 127 A Q H >> S+ 0 0 0 1,-0.3 4,-1.6 2,-0.2 3,-0.8 0.841 126.4 67.2 -53.5 -29.4 19.1 -16.6 -10.5 103 128 A G H <> S+ 0 0 0 -3,-2.3 4,-2.1 1,-0.3 -1,-0.3 0.798 93.0 56.6 -61.0 -29.7 20.3 -13.1 -11.3 104 129 A T H <> S+ 0 0 0 -3,-2.2 4,-2.4 24,-0.2 -1,-0.3 0.793 103.7 53.6 -72.7 -27.7 23.8 -14.4 -11.7 105 130 A A H < S+ 0 0 0 -4,-2.3 3,-1.3 -5,-0.2 4,-0.5 0.949 115.1 47.1 -79.1 -52.3 23.9 -12.1 -21.2 111 136 A I H >< S+ 0 0 0 -4,-2.6 3,-1.1 1,-0.3 -2,-0.2 0.840 105.9 58.9 -61.6 -34.3 27.5 -10.9 -20.8 112 137 A K T 3< S+ 0 0 58 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.1 0.702 105.8 51.7 -68.7 -16.6 29.0 -14.0 -22.5 113 138 A R T < S+ 0 0 96 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.2 0.522 90.0 106.3 -95.2 -8.0 26.9 -13.1 -25.6 114 139 A L S < S- 0 0 7 -3,-1.1 2,-0.0 -4,-0.5 -3,-0.0 -0.335 75.2-106.8 -75.2 153.9 28.2 -9.5 -25.7 115 140 A S > - 0 0 60 1,-0.1 4,-2.5 -2,-0.1 5,-0.2 -0.319 31.8-109.8 -72.3 160.4 30.6 -8.1 -28.3 116 141 A A H > S+ 0 0 61 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.901 117.9 56.7 -58.7 -42.4 34.2 -7.4 -27.1 117 142 A D H > S+ 0 0 127 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.883 111.2 41.5 -58.3 -42.0 33.5 -3.6 -27.5 118 143 A V H >> S+ 0 0 16 1,-0.2 3,-0.9 2,-0.2 4,-0.6 0.889 112.3 54.8 -74.2 -38.6 30.6 -3.7 -25.1 119 144 A Q H >< S+ 0 0 16 -4,-2.5 3,-1.3 1,-0.3 -2,-0.2 0.871 100.5 60.2 -61.9 -35.5 32.4 -6.1 -22.7 120 145 A D H 3< S+ 0 0 92 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.782 99.6 57.9 -62.9 -24.5 35.3 -3.6 -22.5 121 146 A K H << S+ 0 0 63 -3,-0.9 -26,-2.4 -4,-0.5 2,-1.0 0.676 88.1 83.4 -77.8 -19.0 32.8 -1.1 -21.1 122 147 A I E << +d 95 0A 0 -3,-1.3 -26,-0.2 -4,-0.6 3,-0.1 -0.786 58.4 179.8 -89.4 103.8 31.9 -3.5 -18.2 123 148 A K E - 0 0 64 -28,-2.7 2,-0.3 -2,-1.0 -27,-0.2 0.806 60.5 -3.0 -76.7 -33.0 34.6 -2.8 -15.7 124 149 A G E -d 96 0A 0 -29,-0.7 -27,-2.4 2,-0.0 2,-0.4 -0.988 53.4-160.9-161.5 152.3 33.5 -5.2 -13.0 125 150 A V E -de 97 148A 0 22,-2.3 24,-2.6 -2,-0.3 2,-0.4 -1.000 5.9-159.2-138.5 134.6 30.8 -7.7 -12.0 126 151 A V E -de 98 149A 0 -29,-2.0 -27,-1.9 -2,-0.4 2,-0.5 -0.952 7.1-165.3-115.3 133.1 29.9 -9.1 -8.6 127 152 A L E -de 99 150A 0 22,-2.2 24,-3.2 -2,-0.4 2,-0.5 -0.947 1.1-164.0-123.7 111.9 27.9 -12.4 -8.3 128 153 A F E S-de 100 151A 0 -29,-2.8 -27,-2.7 -2,-0.5 -24,-0.2 -0.812 78.6 -2.1 -94.2 128.6 26.3 -13.3 -5.0 129 154 A G S S- 0 0 0 22,-2.7 2,-0.7 -2,-0.5 -1,-0.3 0.971 86.4-149.7 55.3 57.0 25.2 -17.0 -4.7 130 155 A Y > - 0 0 0 -3,-0.5 3,-1.6 21,-0.4 4,-0.3 -0.454 14.7-166.8 -65.1 103.7 26.4 -17.8 -8.2 131 156 A T T 3 S+ 0 0 5 -2,-0.7 4,-0.2 -30,-0.6 -1,-0.2 0.613 89.5 48.1 -68.7 -12.9 24.1 -20.6 -9.5 132 157 A R T 3> S+ 0 0 42 -31,-0.1 4,-2.8 1,-0.1 -1,-0.3 0.211 77.4 112.7-109.9 12.0 26.5 -21.2 -12.4 133 158 A N H <>>S+ 0 0 39 -3,-1.6 5,-2.4 25,-0.3 4,-0.6 0.919 82.7 37.9 -51.1 -53.9 29.7 -21.3 -10.3 134 159 A A H >45S+ 0 0 41 24,-0.3 3,-0.8 -4,-0.3 -1,-0.2 0.939 118.5 49.5 -64.9 -46.5 30.5 -25.0 -10.8 135 160 A Q H 345S+ 0 0 77 1,-0.2 -2,-0.2 -4,-0.2 -1,-0.2 0.806 120.6 35.4 -63.5 -32.0 29.3 -25.0 -14.4 136 161 A E H 3<5S- 0 0 41 -4,-2.8 3,-0.4 3,-0.1 -1,-0.2 0.306 108.7-117.4-106.4 7.6 31.4 -21.9 -15.3 137 162 A R T <<5S- 0 0 209 -3,-0.8 -3,-0.2 -4,-0.6 -4,-0.1 0.911 73.7 -50.9 57.5 47.4 34.4 -22.6 -13.1 138 163 A G S - 0 0 0 -2,-0.3 3,-1.0 3,-0.2 8,-0.1 -0.921 51.4-108.9-106.6 133.1 31.5 -15.6 -16.6 141 166 A A T 3 S+ 0 0 23 -2,-0.5 -5,-0.0 1,-0.2 -4,-0.0 -0.257 96.4 8.4 -62.2 146.7 32.1 -17.4 -19.9 142 167 A N T 3 S+ 0 0 116 1,-0.2 -1,-0.2 -29,-0.1 -28,-0.0 0.825 112.4 98.7 51.9 37.3 33.9 -15.5 -22.7 143 168 A F S < S- 0 0 10 -3,-1.0 -3,-0.2 5,-0.0 -1,-0.2 -0.988 86.3 -85.2-150.5 144.1 34.6 -12.7 -20.3 144 169 A P > - 0 0 52 0, 0.0 3,-1.0 0, 0.0 4,-0.2 -0.246 27.3-145.4 -56.3 132.1 37.8 -11.8 -18.3 145 170 A K G > S+ 0 0 144 1,-0.2 3,-1.9 2,-0.2 -4,-0.0 0.881 97.0 61.3 -64.7 -39.1 38.1 -13.6 -15.0 146 171 A D G 3 S+ 0 0 122 1,-0.3 -1,-0.2 3,-0.0 -7,-0.0 0.619 97.7 59.2 -65.8 -12.4 39.8 -10.6 -13.3 147 172 A K G < S+ 0 0 28 -3,-1.0 -22,-2.3 -23,-0.1 2,-0.4 0.461 98.4 71.4 -93.4 -3.1 36.7 -8.5 -13.9 148 173 A V E < -e 125 0A 18 -3,-1.9 2,-0.5 -24,-0.2 -22,-0.2 -0.950 56.7-170.7-120.5 132.1 34.4 -10.8 -11.9 149 174 A K E -e 126 0A 73 -24,-2.6 -22,-2.2 -2,-0.4 2,-0.4 -0.982 13.3-156.8-120.6 121.3 34.3 -11.4 -8.2 150 175 A V E -e 127 0A 40 -2,-0.5 2,-0.7 -24,-0.2 -22,-0.2 -0.828 5.3-158.8-101.3 133.3 32.1 -14.3 -7.0 151 176 A Y E +e 128 0A 15 -24,-3.2 -22,-2.7 -2,-0.4 2,-0.5 -0.928 20.9 164.4-112.5 105.7 30.7 -14.5 -3.5 152 177 A c - 0 0 47 -2,-0.7 3,-0.1 -24,-0.2 17,-0.1 -0.887 27.7-144.5-124.7 97.4 29.8 -18.1 -2.6 153 178 A A > - 0 0 24 -2,-0.5 3,-2.5 15,-0.2 2,-0.2 -0.228 32.8 -90.8 -61.2 148.1 29.3 -18.5 1.1 154 179 A V T 3 S+ 0 0 143 1,-0.3 -1,-0.1 14,-0.1 3,-0.1 -0.427 117.4 21.3 -60.6 123.3 30.4 -21.7 2.8 155 180 A G T 3 S+ 0 0 37 1,-0.2 2,-1.4 -2,-0.2 -1,-0.3 0.393 82.9 130.0 98.2 -5.6 27.4 -24.0 2.6 156 181 A D X - 0 0 4 -3,-2.5 3,-1.7 12,-0.2 -1,-0.2 -0.700 38.8-170.0 -85.4 95.2 25.6 -22.3 -0.3 157 182 A L G > >S+ 0 0 54 -2,-1.4 3,-1.5 1,-0.3 5,-1.1 0.558 71.7 78.5 -63.8 -12.1 25.0 -25.3 -2.4 158 183 A V G > 5S+ 0 0 2 1,-0.3 3,-0.7 6,-0.2 -24,-0.3 0.734 89.9 58.9 -70.5 -17.7 23.8 -23.5 -5.5 159 184 A c G < 5S+ 0 0 5 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.478 96.1 65.3 -85.3 -3.1 27.5 -22.8 -6.1 160 185 A L G < 5S- 0 0 119 -3,-1.5 -1,-0.2 2,-0.1 -2,-0.1 0.030 126.4 -88.5-107.8 24.9 28.1 -26.6 -6.2 161 186 A G T < 5S+ 0 0 38 -3,-0.7 2,-0.2 1,-0.3 -3,-0.2 0.663 97.6 100.6 80.6 15.6 26.1 -27.3 -9.3 162 187 A T S - 0 0 23 -2,-0.6 3,-2.4 -11,-0.1 4,-0.2 -0.792 49.7 -90.2-121.6 165.4 20.3 -23.4 2.3 167 192 A P G > S+ 0 0 112 0, 0.0 3,-2.6 0, 0.0 -11,-0.1 0.817 119.5 63.5 -42.9 -45.6 20.7 -20.6 4.9 168 193 A P G > S+ 0 0 36 0, 0.0 3,-1.5 0, 0.0 -15,-0.2 0.755 88.5 73.5 -55.5 -21.9 24.1 -19.5 3.7 169 194 A H G < S+ 0 0 4 -3,-2.4 3,-0.2 1,-0.3 -13,-0.1 0.631 98.1 46.7 -67.0 -13.1 22.4 -18.5 0.5 170 195 A F G < S+ 0 0 137 -3,-2.6 -1,-0.3 -4,-0.2 3,-0.2 -0.023 87.3 89.3-118.6 29.0 20.9 -15.6 2.3 171 196 A S X + 0 0 47 -3,-1.5 3,-0.8 1,-0.1 -1,-0.1 0.173 53.1 104.8-109.7 16.3 24.0 -14.3 4.1 172 197 A Y G >> + 0 0 1 1,-0.2 3,-2.0 -3,-0.2 4,-0.6 0.577 53.5 82.1 -78.9 -9.9 25.2 -11.9 1.3 173 198 A L G >4 S+ 0 0 125 1,-0.3 3,-1.2 -3,-0.2 4,-0.4 0.894 89.4 60.3 -60.0 -32.6 24.3 -8.6 2.9 174 199 A S G <4 S+ 0 0 99 -3,-0.8 -1,-0.3 1,-0.3 4,-0.2 0.595 104.4 49.1 -68.9 -11.4 27.6 -9.0 4.8 175 200 A D G <> S+ 0 0 44 -3,-2.0 4,-2.5 2,-0.1 -1,-0.3 0.428 83.9 90.6-105.8 -3.4 29.4 -9.1 1.4 176 201 A T H S+ 0 0 14 -4,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.931 112.1 44.7 -68.9 -44.7 30.5 -3.7 1.3 178 203 A D H > S+ 0 0 71 -4,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.913 114.0 50.8 -64.6 -41.0 33.3 -5.8 -0.2 179 204 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.911 110.2 48.9 -63.0 -43.6 31.5 -6.1 -3.5 180 205 A S H X S+ 0 0 2 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.899 110.5 50.8 -64.7 -39.9 30.9 -2.3 -3.7 181 206 A D H X S+ 0 0 98 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.892 109.1 52.7 -63.7 -39.4 34.6 -1.7 -3.0 182 207 A F H X S+ 0 0 35 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.946 110.3 46.5 -61.0 -49.1 35.5 -4.2 -5.7 183 208 A L H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.921 112.4 49.9 -60.2 -45.1 33.4 -2.4 -8.3 184 209 A L H < S+ 0 0 28 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.893 109.7 52.5 -61.0 -38.3 34.7 1.0 -7.3 185 210 A S H < S+ 0 0 95 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.873 107.1 51.8 -64.9 -38.6 38.3 -0.4 -7.6 186 211 A Q H < 0 0 62 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.790 360.0 360.0 -68.6 -29.3 37.6 -1.6 -11.1 187 212 A L < 0 0 51 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.874 360.0 360.0 -68.2 360.0 36.3 1.8 -12.1