==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-FEB-11 3QPD . COMPND 2 MOLECULE: CUTINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS ORYZAE; . AUTHOR A.LU,Y.GOSSER,J.K.MONTCLARE,Z.LIU,X.KONG . 187 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8020.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 127 67.9 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 . 12 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 17.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 27.3 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 1 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 0 227 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -30.6 -12.0 -9.4 -7.5 2 27 A T - 0 0 117 1,-0.0 3,-0.3 3,-0.0 2,-0.2 -0.746 360.0-118.2-105.9 162.9 -11.6 -5.7 -7.7 3 28 A G S S+ 0 0 54 -2,-0.3 25,-0.2 1,-0.2 26,-0.1 -0.471 70.1 34.7-106.4 166.7 -14.4 -3.2 -8.2 4 29 A G S S+ 0 0 1 47,-0.2 49,-3.1 -2,-0.2 -1,-0.2 0.386 94.2 76.8 85.7 -2.2 -15.9 -0.6 -10.5 5 30 A D B > +A 52 0A 44 -3,-0.3 4,-2.6 47,-0.2 47,-0.2 -0.041 52.7 126.5-123.8 34.5 -15.0 -2.0 -14.0 6 31 A E H > + 0 0 42 45,-2.2 4,-1.5 1,-0.2 46,-0.2 0.686 69.8 51.9 -77.7 -20.0 -17.7 -4.7 -14.1 7 32 A L H 4 S+ 0 0 4 44,-0.2 -1,-0.2 2,-0.2 45,-0.1 0.920 115.4 42.8 -75.3 -45.7 -19.2 -3.7 -17.5 8 33 A R H 4 S+ 0 0 79 1,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.868 118.7 45.1 -66.5 -39.3 -15.8 -3.7 -19.1 9 34 A D H < S- 0 0 103 -4,-2.6 -1,-0.2 2,-0.1 -2,-0.2 0.818 106.4-170.0 -69.8 -34.7 -14.8 -7.0 -17.4 10 35 A G < + 0 0 24 -4,-1.5 2,-0.2 1,-0.3 -2,-0.1 -0.063 62.9 152.5 72.1 172.4 -18.0 -8.8 -18.0 11 36 A P - 0 0 89 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.580 61.8-113.3 -76.7 165.1 -20.0 -11.0 -17.7 12 37 A a - 0 0 64 -2,-0.2 -5,-0.1 77,-0.1 4,-0.1 -0.321 33.5-161.5 -61.1 144.6 -23.2 -9.3 -18.4 13 38 A K - 0 0 61 37,-0.1 81,-0.2 77,-0.1 35,-0.1 -0.881 31.8-112.3-125.2 159.5 -25.6 -8.9 -15.5 14 39 A P S S+ 0 0 64 0, 0.0 80,-2.3 0, 0.0 2,-0.4 0.783 107.4 41.9 -62.8 -25.6 -29.4 -8.2 -15.4 15 40 A I E -bc 49 94A 8 33,-2.0 35,-2.7 78,-0.2 2,-0.5 -0.987 66.9-170.2-126.5 128.4 -28.6 -4.8 -13.8 16 41 A T E -bc 50 95A 0 78,-2.5 80,-2.5 -2,-0.4 2,-0.6 -0.979 6.5-162.4-118.8 122.2 -25.8 -2.5 -14.8 17 42 A F E -bc 51 96A 0 33,-3.2 35,-3.1 -2,-0.5 2,-0.5 -0.910 4.8-168.6-106.1 115.6 -25.1 0.5 -12.4 18 43 A I E +bc 52 97A 0 78,-2.3 80,-2.1 -2,-0.6 2,-0.4 -0.930 12.0 179.7-108.6 125.0 -23.0 3.2 -14.1 19 44 A F E -bc 53 98A 0 33,-2.2 35,-2.2 -2,-0.5 2,-0.5 -0.977 21.8-153.6-134.7 137.7 -21.7 5.9 -11.6 20 45 A A E - c 0 99A 0 78,-1.9 80,-1.7 -2,-0.4 83,-0.1 -0.960 26.1-136.6-113.7 124.8 -19.6 9.0 -11.9 21 46 A R - 0 0 16 -2,-0.5 82,-0.5 7,-0.5 2,-0.1 -0.035 19.8 -94.8 -78.8 175.1 -17.6 10.1 -8.8 22 47 A A > - 0 0 4 80,-0.2 3,-2.0 1,-0.2 79,-0.2 -0.443 54.9 -73.7 -86.1 161.4 -17.0 13.4 -7.1 23 48 A S T 3 S+ 0 0 5 1,-0.3 38,-0.2 -2,-0.1 -1,-0.2 -0.267 119.0 15.6 -55.3 142.0 -14.0 15.7 -7.7 24 49 A T T 3 S+ 0 0 107 36,-2.9 -1,-0.3 1,-0.3 37,-0.1 0.159 90.9 130.9 77.4 -13.1 -10.9 14.4 -6.0 25 50 A E < - 0 0 15 -3,-2.0 -1,-0.3 35,-0.1 2,-0.1 -0.477 52.4-133.0 -73.0 140.3 -12.2 10.9 -5.5 26 51 A P > + 0 0 74 0, 0.0 4,-0.6 0, 0.0 -4,-0.1 -0.395 58.9 12.3 -82.6 164.7 -9.8 8.2 -6.7 27 52 A G T 4 S- 0 0 52 2,-0.1 -6,-0.1 1,-0.1 4,-0.1 -0.241 99.3 -57.8 78.6-159.9 -10.7 5.2 -8.8 28 53 A L T 4 S+ 0 0 34 -25,-0.2 26,-0.5 2,-0.2 -7,-0.5 0.870 130.7 25.5 -97.1 -50.8 -13.7 4.4 -10.8 29 54 A L T 4 S- 0 0 19 1,-0.3 5,-0.4 24,-0.2 3,-0.3 0.586 102.6-134.7 -87.1 -9.1 -16.6 4.4 -8.3 30 55 A G < - 0 0 11 -4,-0.6 -1,-0.3 1,-0.2 -2,-0.2 -0.480 26.7 -82.6 77.3-161.6 -14.9 6.8 -5.9 31 56 A I S S+ 0 0 127 -2,-0.2 -1,-0.2 -4,-0.1 -4,-0.1 0.183 104.6 37.9-133.7 15.4 -14.9 6.2 -2.2 32 57 A S S > S+ 0 0 45 -3,-0.3 4,-1.8 -10,-0.0 5,-0.1 0.338 118.1 4.5-132.9-100.9 -18.2 7.5 -0.9 33 58 A T H > S+ 0 0 5 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.810 120.4 61.7 -70.9 -28.1 -21.7 7.4 -2.5 34 59 A G H > S+ 0 0 0 -5,-0.4 4,-2.5 1,-0.2 5,-0.2 0.977 110.7 36.8 -65.9 -55.6 -20.7 5.3 -5.5 35 60 A P H > S+ 0 0 33 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.882 113.8 59.8 -60.9 -36.6 -19.6 2.2 -3.6 36 61 A A H X S+ 0 0 23 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.942 112.0 37.9 -58.6 -45.4 -22.4 2.8 -1.0 37 62 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.931 115.4 53.3 -71.9 -41.4 -25.1 2.5 -3.7 38 63 A b H X S+ 0 0 4 -4,-2.5 4,-2.4 -5,-0.3 -2,-0.2 0.945 110.3 47.8 -55.7 -47.9 -23.3 -0.2 -5.6 39 64 A N H X S+ 0 0 97 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.876 110.4 51.1 -65.4 -39.9 -23.1 -2.3 -2.5 40 65 A R H X S+ 0 0 119 -4,-1.8 4,-1.8 -5,-0.3 -1,-0.2 0.903 110.3 49.6 -62.7 -40.4 -26.7 -1.8 -1.5 41 66 A L H X S+ 0 0 1 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.935 110.3 51.2 -63.8 -42.3 -27.8 -2.9 -5.0 42 67 A K H < S+ 0 0 68 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.862 109.8 49.4 -65.4 -36.3 -25.6 -6.0 -4.7 43 68 A L H < S+ 0 0 143 -4,-2.2 3,-0.5 1,-0.2 -1,-0.2 0.854 114.4 44.8 -66.8 -34.7 -27.2 -6.9 -1.4 44 69 A A H < S+ 0 0 44 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.760 127.4 27.6 -81.2 -26.3 -30.7 -6.5 -2.7 45 70 A R S >< S- 0 0 101 -4,-2.0 3,-2.6 -5,-0.2 4,-0.3 -0.552 87.6-158.0-133.8 64.7 -30.1 -8.4 -6.0 46 71 A S T 3 S+ 0 0 94 -3,-0.5 -3,-0.1 1,-0.3 -4,-0.1 -0.178 75.7 3.3 -59.0 132.3 -27.4 -10.8 -5.1 47 72 A G T 3 S+ 0 0 61 -5,-0.2 -1,-0.3 2,-0.1 -5,-0.1 0.396 113.5 88.4 76.3 -0.8 -25.5 -11.9 -8.2 48 73 A D < + 0 0 68 -3,-2.6 -33,-2.0 -6,-0.2 2,-0.5 0.369 67.7 84.1-110.4 4.8 -27.5 -9.7 -10.5 49 74 A V E - b 0 15A 6 -4,-0.3 2,-0.5 -35,-0.2 -33,-0.2 -0.936 46.1-170.6-125.0 128.1 -25.5 -6.3 -10.5 50 75 A A E - b 0 16A 2 -35,-2.7 -33,-3.2 -2,-0.5 2,-0.5 -0.953 16.5-154.5-105.2 125.5 -22.5 -5.1 -12.4 51 76 A b E - b 0 17A 1 -2,-0.5 -45,-2.2 -35,-0.2 2,-0.4 -0.874 13.8-178.5-103.7 129.0 -21.1 -1.8 -11.1 52 77 A Q E -Ab 5 18A 0 -35,-3.1 -33,-2.2 -2,-0.5 -47,-0.2 -0.976 10.8-155.7-131.2 115.7 -19.2 0.4 -13.6 53 78 A G E - b 0 19A 0 -49,-3.1 2,-0.9 -2,-0.4 -33,-0.2 -0.573 27.0-111.4 -85.0 155.5 -17.5 3.7 -12.7 54 79 A V + 0 0 0 -35,-2.2 -33,-0.3 -26,-0.5 25,-0.1 -0.769 63.7 160.8 -88.2 106.0 -16.9 6.4 -15.3 55 80 A G + 0 0 0 -2,-0.9 4,-0.1 23,-0.1 -27,-0.1 -0.934 19.5 18.1-179.2 170.1 -13.1 6.6 -15.7 56 81 A P S S+ 0 0 97 0, 0.0 -2,-0.1 0, 0.0 19,-0.1 -0.995 117.4 47.8 -93.3 -2.5 -10.2 6.9 -16.3 57 82 A R S S+ 0 0 161 17,-0.1 2,-0.9 1,-0.1 18,-0.2 0.861 101.8 73.2 -67.1 -33.2 -10.7 9.6 -18.9 58 83 A Y - 0 0 0 16,-0.2 -37,-0.1 17,-0.2 -1,-0.1 -0.730 68.3-179.2 -74.9 110.4 -13.0 11.3 -16.4 59 84 A T - 0 0 82 -2,-0.9 -35,-0.2 -4,-0.1 -1,-0.2 0.531 29.2-136.1 -93.7 -8.3 -10.3 12.5 -14.0 60 85 A A + 0 0 1 1,-0.2 -36,-2.9 -37,-0.1 2,-0.2 0.859 41.7 168.7 55.3 41.6 -12.6 14.2 -11.5 61 86 A D > - 0 0 51 -38,-0.2 3,-0.8 1,-0.1 4,-0.4 -0.603 41.1-126.2 -86.9 147.7 -10.3 17.2 -11.2 62 87 A L G > S+ 0 0 100 -2,-0.2 3,-1.7 1,-0.2 4,-0.3 0.879 102.4 59.8 -58.9 -45.7 -11.5 20.3 -9.5 63 88 A P G > S+ 0 0 98 0, 0.0 3,-1.8 0, 0.0 -1,-0.2 0.803 91.3 69.0 -58.3 -28.6 -10.9 22.8 -12.3 64 89 A S G X S+ 0 0 12 -3,-0.8 3,-1.5 1,-0.3 -2,-0.2 0.700 80.6 76.8 -67.2 -17.8 -13.3 21.1 -14.7 65 90 A N G < S+ 0 0 11 -3,-1.7 -1,-0.3 -4,-0.4 -3,-0.1 0.774 91.3 56.3 -58.5 -25.0 -16.3 22.1 -12.6 66 91 A A G < S+ 0 0 82 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.512 83.2 106.5 -89.4 -4.6 -15.9 25.6 -14.1 67 92 A L S X S- 0 0 78 -3,-1.5 3,-2.1 -4,-0.2 5,-0.1 -0.251 91.6 -88.4 -70.2 163.2 -16.2 24.5 -17.7 68 93 A P T 3 S+ 0 0 114 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.821 125.9 29.7 -41.9 -54.6 -19.4 25.2 -19.7 69 94 A E T 3 S- 0 0 30 2,-0.4 40,-0.2 37,-0.0 3,-0.1 0.276 120.0-100.3 -91.7 5.7 -21.4 22.0 -18.8 70 95 A G S < S+ 0 0 1 -3,-2.1 2,-0.3 1,-0.2 35,-0.2 0.588 97.1 41.6 86.1 9.0 -19.7 21.6 -15.4 71 96 A T S S- 0 0 2 34,-0.2 -2,-0.4 -6,-0.1 -1,-0.2 -0.939 95.3 -67.3-162.9-176.4 -17.2 18.9 -16.4 72 97 A S > - 0 0 19 -2,-0.3 4,-1.9 1,-0.1 5,-0.1 -0.444 31.7-127.1 -82.1 156.0 -14.8 18.0 -19.3 73 98 A Q H > S+ 0 0 107 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.870 111.9 58.2 -65.7 -36.4 -15.9 16.9 -22.7 74 99 A A H > S+ 0 0 27 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.903 105.6 48.9 -59.3 -41.3 -13.7 13.8 -22.3 75 100 A A H > S+ 0 0 0 -18,-0.2 4,-2.5 2,-0.2 5,-0.2 0.914 111.7 48.2 -67.5 -45.0 -15.7 12.8 -19.2 76 101 A I H X S+ 0 0 2 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.936 113.0 48.6 -59.3 -46.5 -19.0 13.3 -20.9 77 102 A A H X S+ 0 0 58 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.878 111.0 50.6 -62.4 -37.8 -17.8 11.2 -23.9 78 103 A E H X S+ 0 0 21 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.934 113.4 44.3 -66.4 -47.1 -16.5 8.4 -21.7 79 104 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.933 112.6 52.1 -63.5 -43.5 -19.8 8.2 -19.8 80 105 A Q H X S+ 0 0 44 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.944 109.3 51.1 -59.7 -42.9 -21.9 8.4 -23.0 81 106 A G H X S+ 0 0 31 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.847 106.8 53.6 -62.1 -35.7 -19.8 5.6 -24.5 82 107 A L H X S+ 0 0 5 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.880 108.0 49.4 -68.2 -40.5 -20.3 3.4 -21.4 83 108 A F H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.940 113.9 46.6 -60.5 -43.5 -24.1 3.7 -21.7 84 109 A E H X S+ 0 0 79 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.904 112.2 50.8 -64.4 -41.8 -23.9 2.8 -25.3 85 110 A Q H X S+ 0 0 77 -4,-2.6 4,-2.9 1,-0.2 5,-0.5 0.871 105.3 55.9 -65.7 -38.5 -21.6 -0.1 -24.5 86 111 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 7,-0.3 0.944 110.8 44.8 -57.3 -44.9 -24.0 -1.5 -21.9 87 112 A V H < S+ 0 0 30 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.877 120.7 38.6 -68.5 -39.2 -26.8 -1.6 -24.3 88 113 A S H < S+ 0 0 99 -4,-2.1 -2,-0.2 1,-0.1 -3,-0.2 0.918 121.5 40.6 -78.2 -46.7 -24.8 -3.2 -27.2 89 114 A K H < S+ 0 0 92 -4,-2.9 -3,-0.2 1,-0.3 -2,-0.2 0.814 129.9 28.8 -72.0 -32.2 -22.6 -5.6 -25.2 90 115 A a >< + 0 0 4 -4,-1.8 3,-2.2 -5,-0.5 -1,-0.3 -0.666 67.2 176.5-131.6 76.4 -25.4 -6.6 -22.9 91 116 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.709 81.2 50.4 -61.5 -17.8 -28.8 -6.4 -24.7 92 117 A D T 3 S+ 0 0 155 2,-0.1 -5,-0.1 -77,-0.0 2,-0.1 0.471 87.1 110.5 -95.8 -6.0 -30.8 -7.8 -21.9 93 118 A T < - 0 0 3 -3,-2.2 2,-0.5 -7,-0.3 -78,-0.2 -0.355 57.5-144.9 -72.5 149.7 -29.4 -5.5 -19.1 94 119 A Q E -c 15 0A 67 -80,-2.3 -78,-2.5 -81,-0.2 2,-0.4 -0.962 22.5-139.6-107.6 133.9 -31.4 -2.8 -17.4 95 120 A I E +cd 16 122A 0 26,-2.4 28,-2.9 -2,-0.5 29,-0.7 -0.762 23.2 176.2 -99.5 136.0 -29.3 0.3 -16.6 96 121 A V E -cd 17 124A 0 -80,-2.5 -78,-2.3 -2,-0.4 2,-0.3 -0.919 15.7-176.4-124.4 158.5 -29.4 2.4 -13.4 97 122 A A E +cd 18 125A 0 27,-2.0 29,-2.3 -2,-0.3 2,-0.3 -0.936 12.3 173.0-149.0 169.1 -27.0 5.3 -12.9 98 123 A G E -cd 19 126A 0 -80,-2.1 -78,-1.9 -2,-0.3 2,-0.3 -0.991 7.8-163.2-166.2 171.2 -25.8 7.9 -10.6 99 124 A G E -cd 20 127A 0 27,-1.9 29,-2.9 -2,-0.3 2,-0.4 -0.978 12.7-141.0-156.5 167.6 -23.3 10.6 -9.8 100 125 A Y E > - d 0 128A 12 -80,-1.7 3,-2.2 -2,-0.3 29,-0.2 -0.993 65.9 -45.3-134.1 124.1 -21.9 12.8 -7.0 101 126 A X T >> S+ 0 0 14 27,-2.6 3,-2.3 -2,-0.4 4,-1.0 -0.317 138.5 13.1 56.2-122.8 -21.0 16.5 -7.4 102 127 A Q H >> S+ 0 0 0 1,-0.3 4,-1.9 2,-0.2 3,-0.7 0.865 125.1 65.1 -52.2 -32.3 -19.0 16.8 -10.7 103 128 A G H <> S+ 0 0 0 -3,-2.2 4,-2.2 -82,-0.5 -1,-0.3 0.769 94.6 58.3 -62.5 -26.2 -20.1 13.3 -11.6 104 129 A T H <> S+ 0 0 0 -3,-2.3 4,-2.5 25,-0.2 -1,-0.3 0.837 103.9 51.3 -69.8 -32.2 -23.7 14.6 -11.7 105 130 A A H < S+ 0 0 0 -4,-2.5 3,-1.0 -5,-0.2 4,-0.5 0.938 115.9 47.2 -76.1 -49.0 -23.9 12.3 -21.3 111 136 A I H >< S+ 0 0 0 -4,-2.8 3,-1.5 -5,-0.3 -2,-0.2 0.896 106.0 58.1 -66.1 -39.3 -27.5 11.2 -20.8 112 137 A K T 3< S+ 0 0 56 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.729 106.2 52.4 -61.6 -21.3 -29.0 14.3 -22.5 113 138 A R T < S+ 0 0 96 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.535 89.1 102.9 -91.4 -8.1 -26.9 13.3 -25.6 114 139 A L S < S- 0 0 7 -3,-1.5 2,-0.0 -4,-0.5 -34,-0.0 -0.372 76.7-105.4 -77.0 152.5 -28.2 9.7 -25.9 115 140 A S > - 0 0 55 1,-0.1 4,-2.8 -2,-0.1 3,-0.3 -0.303 32.9-109.2 -63.4 156.4 -30.8 8.5 -28.3 116 141 A A H > S+ 0 0 58 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.857 118.0 58.6 -57.0 -34.3 -34.3 7.7 -27.1 117 142 A D H > S+ 0 0 125 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.890 110.7 40.0 -65.4 -39.3 -33.6 4.0 -27.5 118 143 A V H >> S+ 0 0 16 -3,-0.3 3,-1.2 1,-0.2 4,-0.5 0.908 112.8 55.9 -78.0 -40.3 -30.6 4.0 -25.2 119 144 A Q H >< S+ 0 0 15 -4,-2.8 3,-1.4 1,-0.2 -2,-0.2 0.866 99.5 61.2 -54.6 -37.5 -32.4 6.4 -22.8 120 145 A D H 3< S+ 0 0 98 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.778 99.1 56.3 -64.6 -23.4 -35.2 3.9 -22.5 121 146 A K H << S+ 0 0 61 -3,-1.2 -26,-2.4 -4,-0.6 2,-0.9 0.625 88.7 85.0 -79.6 -15.8 -32.8 1.3 -21.1 122 147 A I E << +d 95 0A 0 -3,-1.4 -26,-0.2 -4,-0.5 3,-0.1 -0.791 58.2 179.2 -91.1 106.4 -31.8 3.7 -18.3 123 148 A K E - 0 0 60 -28,-2.9 2,-0.3 -2,-0.9 -27,-0.2 0.770 59.2 -2.7 -86.2 -27.7 -34.5 3.1 -15.7 124 149 A G E -d 96 0A 0 -29,-0.7 -27,-2.0 2,-0.0 2,-0.4 -0.972 53.8-160.6-161.3 153.3 -33.4 5.5 -12.9 125 150 A V E -de 97 148A 0 22,-2.2 24,-2.7 -2,-0.3 2,-0.5 -1.000 7.1-157.1-139.8 132.6 -30.6 7.9 -12.1 126 151 A V E -de 98 149A 0 -29,-2.3 -27,-1.9 -2,-0.4 2,-0.6 -0.948 7.1-166.2-113.5 131.7 -29.7 9.3 -8.7 127 152 A L E -de 99 150A 0 22,-2.5 24,-3.1 -2,-0.5 2,-0.5 -0.925 0.5-166.4-122.4 107.2 -27.8 12.6 -8.4 128 153 A F E S-de 100 151A 0 -29,-2.9 -27,-2.6 -2,-0.6 -24,-0.2 -0.824 77.5 -2.2 -95.1 129.4 -26.1 13.5 -5.1 129 154 A G S S- 0 0 0 22,-3.1 2,-0.7 -2,-0.5 -1,-0.3 0.979 87.2-150.6 60.9 55.9 -25.0 17.2 -4.7 130 155 A Y > - 0 0 0 -3,-0.4 3,-1.8 21,-0.4 4,-0.3 -0.472 15.0-165.9 -72.5 107.4 -26.1 18.0 -8.3 131 156 A T T 3 S+ 0 0 2 -2,-0.7 4,-0.2 -30,-0.6 -1,-0.2 0.608 89.7 47.2 -72.9 -13.8 -23.9 20.8 -9.5 132 157 A R T 3> S+ 0 0 38 -31,-0.2 4,-2.5 1,-0.1 -1,-0.3 0.148 77.6 113.1-107.1 16.9 -26.3 21.5 -12.4 133 158 A N T <4>S+ 0 0 38 -3,-1.8 5,-2.6 25,-0.3 4,-0.4 0.928 82.7 37.4 -57.0 -51.0 -29.5 21.5 -10.3 134 159 A A T >45S+ 0 0 49 24,-0.3 3,-1.0 -4,-0.3 -1,-0.2 0.931 118.1 50.4 -63.5 -45.3 -30.3 25.2 -10.8 135 160 A Q T 345S+ 0 0 82 1,-0.3 -2,-0.2 -4,-0.2 -1,-0.2 0.795 119.8 35.8 -64.6 -32.8 -29.1 25.3 -14.4 136 161 A E T ><5S- 0 0 41 -4,-2.5 3,-0.7 3,-0.1 -1,-0.3 0.253 108.8-117.4-107.2 9.9 -31.2 22.2 -15.3 137 162 A R T < 5S- 0 0 224 -3,-1.0 -3,-0.2 -4,-0.4 -4,-0.1 0.897 73.7 -52.4 51.9 46.3 -34.2 22.9 -13.0 138 163 A G T 3 - 0 0 0 -2,-0.3 3,-1.0 3,-0.2 -32,-0.1 -0.875 51.6-109.1 -98.5 136.8 -31.5 15.9 -16.6 141 166 A A T 3 S+ 0 0 21 -2,-0.4 -1,-0.0 1,-0.2 -5,-0.0 -0.267 96.4 8.2 -63.6 145.4 -32.0 17.7 -19.9 142 167 A N T 3 S+ 0 0 114 1,-0.2 -1,-0.2 -29,-0.1 -28,-0.0 0.814 112.5 94.4 58.1 33.1 -33.8 15.8 -22.7 143 168 A F S < S- 0 0 9 -3,-1.0 -3,-0.2 -24,-0.0 -1,-0.2 -0.986 87.7 -82.7-153.8 146.2 -34.6 12.9 -20.3 144 169 A P > - 0 0 54 0, 0.0 3,-1.2 0, 0.0 -4,-0.2 -0.263 27.1-144.0 -62.9 135.9 -37.7 12.2 -18.3 145 170 A K G > S+ 0 0 145 1,-0.2 3,-1.8 2,-0.2 -4,-0.0 0.849 97.4 62.9 -61.3 -36.9 -37.9 13.9 -14.9 146 171 A D G 3 S+ 0 0 126 1,-0.3 -1,-0.2 3,-0.0 -7,-0.0 0.645 96.5 58.7 -73.2 -6.9 -39.6 10.9 -13.3 147 172 A K G < S+ 0 0 26 -3,-1.2 -22,-2.2 -23,-0.1 2,-0.4 0.409 98.2 71.9 -95.3 -0.0 -36.5 8.8 -13.9 148 173 A V E < -e 125 0A 18 -3,-1.8 2,-0.5 -24,-0.2 -22,-0.2 -0.951 57.1-168.8-119.1 133.9 -34.2 11.1 -11.9 149 174 A K E -e 126 0A 74 -24,-2.7 -22,-2.5 -2,-0.4 2,-0.5 -0.987 13.0-156.1-119.2 125.1 -34.0 11.6 -8.2 150 175 A V E -e 127 0A 41 -2,-0.5 2,-0.7 -24,-0.2 -22,-0.2 -0.849 4.9-160.5-101.6 128.6 -31.9 14.5 -7.0 151 176 A Y E +e 128 0A 13 -24,-3.1 -22,-3.1 -2,-0.5 2,-0.5 -0.926 21.1 163.6-108.0 101.7 -30.4 14.6 -3.5 152 177 A c - 0 0 47 -2,-0.7 3,-0.1 -24,-0.2 17,-0.1 -0.944 28.5-143.7-120.5 104.7 -29.5 18.2 -2.7 153 178 A A > - 0 0 19 -2,-0.5 3,-2.5 15,-0.2 6,-0.2 -0.292 34.2 -87.3 -66.6 151.9 -29.0 18.6 1.0 154 179 A V T 3 S+ 0 0 142 1,-0.3 -1,-0.1 14,-0.1 3,-0.1 -0.398 117.6 15.1 -60.7 126.0 -30.1 21.7 2.7 155 180 A G T 3 S+ 0 0 36 1,-0.3 2,-1.3 -2,-0.1 -1,-0.3 0.509 82.5 135.3 84.0 6.1 -27.3 24.2 2.4 156 181 A D X - 0 0 3 -3,-2.5 3,-2.0 12,-0.2 -1,-0.3 -0.733 39.7-166.3 -81.4 100.2 -25.4 22.2 -0.2 157 182 A L G > >S+ 0 0 59 -2,-1.3 3,-1.4 1,-0.3 5,-1.1 0.579 73.1 77.8 -73.2 -7.8 -24.7 25.4 -2.3 158 183 A V G > 5S+ 0 0 0 1,-0.3 3,-0.7 6,-0.2 -24,-0.3 0.753 89.2 60.3 -75.0 -14.1 -23.7 23.6 -5.4 159 184 A c G < 5S+ 0 0 5 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.503 95.5 64.4 -83.9 -2.7 -27.4 23.0 -6.1 160 185 A L G < 5S- 0 0 119 -3,-1.4 -1,-0.2 -4,-0.1 -2,-0.1 0.017 126.8 -89.2-110.9 22.6 -27.9 26.7 -6.1 161 186 A G T < 5S+ 0 0 37 -3,-0.7 2,-0.2 1,-0.3 -3,-0.2 0.717 97.0 102.3 79.8 21.2 -25.9 27.4 -9.2 162 187 A T < - 0 0 54 -5,-1.1 -1,-0.3 2,-0.1 -2,-0.1 -0.734 69.9-134.2-122.0 175.1 -22.6 28.0 -7.4 163 188 A L + 0 0 80 -2,-0.2 2,-0.4 -3,-0.1 -5,-0.2 0.081 58.2 136.1-113.5 20.6 -19.5 25.9 -6.9 164 189 A I - 0 0 97 -7,-0.3 2,-0.7 1,-0.1 -6,-0.2 -0.527 45.1-149.2 -73.0 124.9 -19.3 26.7 -3.2 165 190 A V + 0 0 69 -2,-0.4 -9,-0.1 -8,-0.1 -1,-0.1 -0.828 25.0 167.9-102.4 113.7 -18.5 23.6 -1.1 166 191 A A > - 0 0 22 -2,-0.7 3,-2.4 -11,-0.1 4,-0.2 -0.773 50.2 -88.6-121.2 165.9 -20.1 23.7 2.3 167 192 A P G > S+ 0 0 109 0, 0.0 3,-2.3 0, 0.0 -11,-0.1 0.788 118.8 62.9 -51.2 -35.6 -20.5 20.9 5.0 168 193 A P G > S+ 0 0 37 0, 0.0 3,-1.7 0, 0.0 -12,-0.2 0.738 86.9 77.0 -64.3 -15.6 -23.9 19.6 3.8 169 194 A H G < S+ 0 0 0 -3,-2.4 3,-0.2 1,-0.3 -13,-0.1 0.678 96.6 47.0 -61.8 -20.5 -22.2 18.6 0.6 170 195 A F G < S+ 0 0 136 -3,-2.3 -1,-0.3 -4,-0.2 3,-0.3 0.003 87.8 89.8-110.5 27.6 -20.7 15.7 2.5 171 196 A S X + 0 0 49 -3,-1.7 3,-1.0 1,-0.2 -1,-0.1 0.278 50.8 104.6-107.2 15.0 -23.9 14.5 4.2 172 197 A Y G >> + 0 0 2 1,-0.3 3,-1.7 -3,-0.2 4,-0.6 0.541 51.8 87.4 -83.9 -5.7 -25.1 12.1 1.5 173 198 A L G >4 S+ 0 0 138 1,-0.3 3,-1.3 -3,-0.3 4,-0.4 0.916 88.3 56.6 -50.9 -41.8 -24.3 8.8 3.3 174 199 A S G <4 S+ 0 0 101 -3,-1.0 4,-0.3 1,-0.3 -1,-0.3 0.643 105.8 50.9 -70.1 -12.6 -27.7 9.1 4.9 175 200 A D G <> S+ 0 0 43 -3,-1.7 4,-2.4 -4,-0.1 -1,-0.3 0.465 83.6 88.8 -99.3 -6.9 -29.4 9.3 1.5 176 201 A T H S+ 0 0 14 -4,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.921 111.4 47.6 -66.3 -44.7 -30.4 3.7 1.1 178 203 A D H > S+ 0 0 73 -4,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.910 112.7 50.8 -61.0 -39.4 -33.2 5.9 -0.3 179 204 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.901 110.5 47.2 -66.2 -44.0 -31.3 6.2 -3.5 180 205 A S H X S+ 0 0 4 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.925 111.5 52.0 -60.7 -45.5 -30.8 2.4 -3.8 181 206 A D H X S+ 0 0 102 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.903 109.3 50.2 -58.9 -41.8 -34.5 2.0 -3.0 182 207 A F H X S+ 0 0 35 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.952 111.2 47.6 -62.4 -46.8 -35.4 4.4 -5.8 183 208 A L H X S+ 0 0 0 -4,-2.5 4,-0.9 1,-0.2 -2,-0.2 0.927 112.5 49.1 -62.1 -41.6 -33.2 2.7 -8.4 184 209 A L H >< S+ 0 0 19 -4,-2.6 3,-0.5 1,-0.2 -1,-0.2 0.895 109.0 53.5 -65.2 -37.4 -34.6 -0.8 -7.4 185 210 A S H 3< S+ 0 0 89 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.833 107.1 51.5 -66.8 -32.2 -38.2 0.6 -7.6 186 211 A Q H 3< 0 0 63 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.712 360.0 360.0 -76.2 -21.2 -37.5 1.8 -11.2 187 212 A L << 0 0 65 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.629 360.0 360.0 -83.1 360.0 -36.2 -1.6 -12.1