==== 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 14-APR-09 3H2G . COMPND 2 MOLECULE: ESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOMONAS ORYZAE PV. ORYZAE; . AUTHOR G.APARNA,A.CHATTERJEE,R.V.SONTI,R.SANKARANARAYANAN . 387 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15487.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 272 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 8.5 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 . 1 0.3 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 . 1 0.3 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 . 23 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 3.1 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 4 0 1 1 2 2 0 0 1 0 0 0 3 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 1 1 1 1 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 0 1 0 0 0 1 0 0 0 1 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 1 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 2 A P 0 0 130 0, 0.0 3,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 142.7 16.1 64.9 49.8 2 3 A A > - 0 0 72 1,-0.1 3,-2.2 2,-0.1 41,-0.3 -0.383 360.0 -84.7 -69.5 147.2 19.0 63.9 47.6 3 4 A R T 3 S+ 0 0 93 1,-0.3 41,-0.2 -2,-0.1 -1,-0.1 -0.237 117.0 24.4 -52.6 133.0 19.9 60.2 47.4 4 5 A G T 3 S+ 0 0 6 39,-2.7 -1,-0.3 1,-0.3 144,-0.2 0.328 82.1 152.7 93.1 -8.4 22.1 59.1 50.2 5 6 A T < - 0 0 54 -3,-2.2 38,-2.2 38,-0.1 2,-0.6 -0.344 46.8-125.3 -58.8 130.8 21.1 61.9 52.6 6 7 A L E +A 42 0A 52 36,-0.2 36,-0.2 1,-0.2 3,-0.1 -0.709 32.5 174.5 -82.2 116.5 21.5 60.9 56.2 7 8 A L E - 0 0 81 34,-2.1 2,-0.3 -2,-0.6 35,-0.2 0.890 64.7 -9.8 -88.5 -47.6 18.1 61.4 58.0 8 9 A T E -A 41 0A 72 33,-1.3 33,-2.3 2,-0.0 -1,-0.3 -0.975 58.6-173.1-148.6 159.0 18.9 59.9 61.4 9 10 A S E +A 40 0A 56 -2,-0.3 2,-0.3 31,-0.3 31,-0.3 -0.983 4.5 178.6-153.6 148.7 21.7 57.9 63.0 10 11 A N E -A 39 0A 81 29,-2.7 29,-3.2 -2,-0.3 2,-0.5 -0.982 23.7-133.4-155.9 139.9 22.2 56.2 66.4 11 12 A F E -A 38 0A 64 -2,-0.3 27,-0.3 27,-0.2 3,-0.1 -0.848 20.0-178.0 -99.0 129.8 24.9 54.2 68.1 12 13 A L E - 0 0 41 25,-2.5 2,-0.3 -2,-0.5 -1,-0.2 0.910 52.3 -42.7 -91.4 -53.6 23.6 51.1 69.9 13 14 A T E -A 37 0A 52 24,-0.9 24,-3.2 2,-0.0 2,-0.3 -0.948 45.2-126.6-165.8 179.2 26.6 49.4 71.6 14 15 A S E -A 36 0A 71 -2,-0.3 2,-0.4 22,-0.2 22,-0.2 -0.985 11.3-146.9-142.2 150.5 30.2 48.3 71.3 15 16 A Y E -A 35 0A 25 20,-2.8 20,-2.8 -2,-0.3 2,-0.1 -0.965 21.5-123.0-121.4 137.0 32.1 45.0 71.7 16 17 A T > - 0 0 75 -2,-0.4 4,-2.1 18,-0.2 5,-0.2 -0.344 20.9-117.4 -75.9 157.5 35.6 44.7 72.9 17 18 A R H > S+ 0 0 35 1,-0.2 4,-2.4 2,-0.2 14,-0.4 0.911 116.7 49.3 -58.7 -43.1 38.4 43.0 71.0 18 19 A D H > S+ 0 0 102 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.879 107.3 53.0 -65.9 -39.7 38.7 40.4 73.8 19 20 A A H > S+ 0 0 44 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.906 111.9 47.0 -62.0 -40.7 35.0 39.7 73.9 20 21 A I H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.917 110.1 51.7 -67.6 -42.8 35.1 39.0 70.2 21 22 A S H X S+ 0 0 19 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.878 106.4 56.1 -60.9 -36.8 38.2 36.8 70.4 22 23 A A H X S+ 0 0 61 -4,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.896 106.6 48.6 -62.8 -40.3 36.3 34.8 73.1 23 24 A M H >< S+ 0 0 52 -4,-1.6 3,-0.5 1,-0.2 -1,-0.2 0.866 112.4 49.8 -67.5 -33.9 33.5 34.2 70.7 24 25 A L H 3< S+ 0 0 20 -4,-1.9 5,-0.3 1,-0.2 -2,-0.2 0.819 103.2 59.7 -72.6 -31.9 36.0 33.1 68.1 25 26 A A H 3< 0 0 73 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.651 360.0 360.0 -71.5 -15.5 37.8 30.8 70.5 26 27 A S << 0 0 130 -4,-0.6 -3,-0.0 -3,-0.5 0, 0.0 -0.411 360.0 360.0 -96.5 360.0 34.6 28.8 70.9 27 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 28 37 A P 0 0 147 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 0.000 360.0 360.0 360.0 128.0 42.2 30.1 66.8 29 38 A E - 0 0 57 -5,-0.3 2,-0.4 1,-0.0 -5,-0.1 -0.322 360.0-154.0 -62.0 136.7 41.4 33.5 65.1 30 39 A Q - 0 0 144 -6,-0.1 -12,-0.1 -2,-0.0 2,-0.1 -0.938 14.6-122.0-117.2 137.1 41.9 36.5 67.3 31 40 A A - 0 0 6 -2,-0.4 76,-0.2 -14,-0.4 3,-0.1 -0.371 17.2-168.9 -71.0 152.9 40.1 39.8 66.9 32 41 A K + 0 0 80 74,-2.5 33,-0.3 1,-0.1 2,-0.3 0.532 65.6 51.9-116.9 -13.0 42.3 42.9 66.3 33 42 A a S S- 0 0 0 73,-1.8 2,-0.2 -16,-0.1 30,-0.2 -0.911 71.0-128.6-129.5 152.1 39.6 45.6 66.7 34 43 A N E - B 0 62A 62 28,-3.6 28,-1.4 -2,-0.3 2,-0.4 -0.585 37.6-137.2 -83.5 158.5 36.8 46.6 69.1 35 44 A V E -AB 15 61A 1 -20,-2.8 -20,-2.8 -2,-0.2 2,-0.4 -0.977 13.4-158.7-130.2 126.7 33.6 47.0 67.2 36 45 A R E -AB 14 60A 91 24,-2.9 24,-2.5 -2,-0.4 2,-0.5 -0.838 12.3-146.4-101.0 135.3 31.0 49.8 67.5 37 46 A V E +AB 13 59A 0 -24,-3.2 -25,-2.5 -2,-0.4 -24,-0.9 -0.895 23.0 171.8-105.6 124.4 27.4 49.1 66.2 38 47 A A E -AB 11 58A 2 20,-2.7 20,-2.6 -2,-0.5 2,-0.3 -0.897 15.3-158.4-128.6 157.5 25.5 52.0 64.7 39 48 A E E +AB 10 57A 14 -29,-3.2 -29,-2.7 -2,-0.3 2,-0.3 -0.887 15.4 171.9-129.5 161.0 22.1 52.3 62.9 40 49 A F E -AB 9 56A 4 16,-1.5 16,-2.1 -2,-0.3 2,-0.3 -0.990 23.7-138.3-165.1 161.4 20.8 54.9 60.6 41 50 A T E +AB 8 55A 17 -33,-2.3 -34,-2.1 -2,-0.3 -33,-1.3 -0.934 27.6 176.7-125.0 151.1 18.0 55.9 58.2 42 51 A Y E -AB 6 54A 0 12,-2.6 12,-1.7 -2,-0.3 2,-0.3 -0.966 32.7 -97.9-151.9 166.8 18.5 57.6 54.8 43 52 A A E + B 0 53A 6 -38,-2.2 -39,-2.7 -2,-0.3 10,-0.2 -0.686 51.8 143.5 -87.8 139.0 16.9 58.9 51.7 44 53 A T E - B 0 52A 4 8,-3.0 8,-2.0 -2,-0.3 2,-0.3 -0.741 42.5 -84.2-151.9-161.7 16.9 56.7 48.6 45 54 A I E - B 0 51A 38 6,-0.2 72,-0.1 -2,-0.2 2,-0.1 -0.881 24.5-132.0-123.7 155.8 14.7 55.8 45.6 46 55 A G > - 0 0 2 4,-2.8 3,-1.6 -2,-0.3 6,-0.1 -0.178 48.3 -83.1 -87.2-172.7 11.9 53.3 45.0 47 56 A V T 3 S+ 0 0 28 1,-0.3 -1,-0.0 2,-0.1 86,-0.0 0.669 132.7 47.9 -69.3 -16.0 11.7 51.0 42.0 48 57 A E T 3 S- 0 0 154 2,-0.1 -1,-0.3 3,-0.0 188,-0.0 0.200 123.7-102.9-106.7 13.1 10.2 53.8 39.8 49 58 A G S < S+ 0 0 46 -3,-1.6 -2,-0.1 1,-0.3 3,-0.1 0.547 77.7 140.0 78.8 7.5 12.9 56.3 41.0 50 59 A E - 0 0 68 1,-0.1 -4,-2.8 -5,-0.1 -1,-0.3 -0.399 63.3 -81.0 -80.8 158.9 10.5 58.0 43.3 51 60 A P E +B 45 0A 110 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.316 60.9 153.9 -63.0 141.9 11.6 59.2 46.8 52 61 A A E -B 44 0A 4 -8,-2.0 -8,-3.0 -6,-0.1 2,-0.3 -0.938 31.4-128.2-155.8 169.6 11.7 56.5 49.5 53 62 A T E +B 43 0A 38 -2,-0.3 70,-0.5 -10,-0.2 71,-0.5 -0.846 21.4 177.6-125.2 163.8 13.5 55.9 52.8 54 63 A A E -B 42 0A 0 -12,-1.7 -12,-2.6 -2,-0.3 2,-0.2 -0.964 19.1-130.5-156.9 165.5 15.5 52.9 54.2 55 64 A S E -B 41 0A 3 64,-0.4 60,-2.7 61,-0.3 61,-0.5 -0.720 24.2-178.9-118.0 169.6 17.5 51.9 57.3 56 65 A G E -BC 40 114A 1 -16,-2.1 -16,-1.5 58,-0.3 2,-0.4 -0.979 24.1-116.7-160.7 171.9 20.9 50.4 57.6 57 66 A V E -BC 39 113A 1 56,-2.7 56,-2.2 -2,-0.3 2,-0.4 -0.910 20.2-166.7-118.1 144.9 23.6 49.0 59.9 58 67 A L E -BC 38 112A 0 -20,-2.6 -20,-2.7 -2,-0.4 2,-0.5 -0.982 2.0-165.8-135.3 121.1 27.1 50.4 60.3 59 68 A L E -BC 37 111A 0 52,-2.8 52,-1.9 -2,-0.4 -22,-0.2 -0.938 9.3-166.2-109.0 123.1 29.9 48.5 62.0 60 69 A I E -B 36 0A 15 -24,-2.5 -24,-2.9 -2,-0.5 2,-0.1 -0.940 7.4-147.6-115.5 123.8 33.0 50.6 62.9 61 70 A P E +B 35 0A 6 0, 0.0 2,-0.3 0, 0.0 -26,-0.2 -0.455 27.8 152.3 -83.7 159.6 36.3 49.1 64.0 62 71 A G E +B 34 0A 22 -28,-1.4 -28,-3.6 43,-0.1 2,-0.2 -0.958 5.6 114.5-174.3 164.1 38.7 50.8 66.4 63 72 A G > - 0 0 31 -2,-0.3 3,-2.0 -30,-0.2 -30,-0.0 -0.597 68.8 -79.0 140.7 159.4 41.4 50.0 69.0 64 73 A E T 3 S+ 0 0 167 1,-0.3 3,-0.3 -2,-0.2 -1,-0.1 0.781 132.3 38.4 -58.6 -30.7 45.1 50.3 69.9 65 74 A R T 3 S+ 0 0 148 -33,-0.3 -1,-0.3 1,-0.2 -2,-0.0 0.183 113.7 64.2-103.8 15.4 46.0 47.5 67.6 66 75 A a < + 0 0 4 -3,-2.0 -1,-0.2 -5,-0.0 -3,-0.2 -0.258 61.9 158.5-136.5 49.5 43.5 48.7 65.0 67 76 A S - 0 0 105 -3,-0.3 -5,-0.1 -5,-0.1 -3,-0.0 -0.371 33.9-106.5 -71.3 154.1 44.4 52.2 63.7 68 77 A G S S+ 0 0 26 2,-0.1 2,-0.1 -7,-0.1 89,-0.1 0.057 74.3 121.8 -75.6-167.0 42.9 53.2 60.4 69 78 A P - 0 0 87 0, 0.0 88,-0.3 0, 0.0 86,-0.0 0.590 58.5-166.3 -75.8 158.6 42.6 53.9 57.5 70 79 A Y E -d 157 0A 17 86,-2.4 88,-2.0 -2,-0.1 89,-0.5 -0.868 19.4-120.8-117.0 147.1 39.9 51.2 57.0 71 80 A P E - 0 0 9 0, 0.0 39,-2.4 0, 0.0 2,-0.6 -0.463 28.8-123.8 -78.3 156.8 38.3 49.8 53.8 72 81 A L E -de 161 110A 3 88,-2.4 90,-2.8 37,-0.2 2,-0.6 -0.919 24.7-165.9-107.2 116.2 34.5 50.3 53.4 73 82 A L E -de 162 111A 0 37,-3.5 39,-2.6 -2,-0.6 2,-0.4 -0.896 7.4-152.8-107.1 117.1 32.6 47.0 52.8 74 83 A G E -de 163 112A 1 88,-2.8 90,-2.0 -2,-0.6 2,-0.4 -0.734 18.9-156.9 -86.3 133.7 29.1 47.2 51.6 75 84 A W E -de 164 113A 4 37,-3.3 39,-0.7 -2,-0.4 2,-0.6 -0.920 14.2-153.9-120.8 139.2 27.0 44.1 52.7 76 85 A G E -d 165 0A 0 88,-1.4 90,-1.7 -2,-0.4 93,-0.2 -0.929 19.5-144.8-108.8 121.2 23.9 42.5 51.3 77 86 A H - 0 0 11 -2,-0.6 95,-0.2 37,-0.5 3,-0.1 -0.395 21.7-103.8 -81.7 161.1 21.8 40.5 53.9 78 87 A P - 0 0 34 0, 0.0 89,-0.1 0, 0.0 -1,-0.1 -0.087 61.7 -46.5 -75.2 178.1 19.9 37.3 53.1 79 88 A T - 0 0 22 1,-0.1 2,-0.4 2,-0.0 187,-0.2 -0.168 57.7-171.6 -49.6 129.0 16.1 36.8 52.5 80 89 A E + 0 0 42 -3,-0.1 185,-0.1 1,-0.1 -1,-0.1 -0.965 19.2 171.4-131.2 114.8 14.1 38.6 55.2 81 90 A A + 0 0 0 -2,-0.4 181,-3.2 180,-0.1 2,-1.0 0.571 58.5 92.0 -96.4 -13.9 10.3 38.1 55.5 82 91 A L B > -j 262 0B 44 179,-0.2 3,-1.6 1,-0.2 38,-0.4 -0.747 66.7-155.4 -86.1 104.5 9.8 39.9 58.8 83 92 A R T 3 S+ 0 0 94 179,-1.7 37,-1.5 -2,-1.0 -1,-0.2 0.830 87.7 48.8 -46.1 -45.9 9.0 43.4 57.6 84 93 A A T 3 S+ 0 0 65 178,-0.4 -1,-0.3 35,-0.2 35,-0.1 0.601 80.4 127.3 -76.4 -12.1 10.2 45.2 60.8 85 94 A Q < - 0 0 40 -3,-1.6 2,-0.5 35,-0.1 35,-0.4 -0.200 37.6-170.0 -54.1 127.8 13.5 43.4 61.1 86 95 A E > - 0 0 31 34,-0.1 4,-1.9 1,-0.1 5,-0.2 -0.985 19.0-147.1-121.1 123.6 16.6 45.7 61.4 87 96 A Q H > S+ 0 0 25 -2,-0.5 4,-2.3 1,-0.2 5,-0.2 0.882 97.5 56.4 -55.8 -42.1 20.1 44.2 61.1 88 97 A A H > S+ 0 0 1 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.920 109.9 43.3 -58.3 -47.1 21.5 46.6 63.6 89 98 A K H > S+ 0 0 54 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.821 110.8 56.6 -70.1 -30.0 19.1 45.7 66.4 90 99 A E H X S+ 0 0 87 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.919 107.6 47.2 -66.9 -43.4 19.5 42.0 65.6 91 100 A I H <>S+ 0 0 4 -4,-2.3 5,-2.1 2,-0.2 6,-0.3 0.909 112.3 51.1 -63.9 -39.6 23.3 42.2 66.1 92 101 A R H ><5S+ 0 0 83 -4,-1.8 3,-1.5 1,-0.2 -2,-0.2 0.929 109.9 49.1 -63.0 -44.3 22.6 44.1 69.3 93 102 A D H 3<5S+ 0 0 102 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.867 109.8 51.7 -62.3 -36.6 20.2 41.4 70.4 94 103 A A T ><5S- 0 0 35 -4,-2.2 3,-1.8 -5,-0.1 -1,-0.3 0.391 110.4-127.3 -80.8 3.8 22.8 38.7 69.6 95 104 A K T < 5S- 0 0 167 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.899 73.7 -43.7 49.0 48.7 25.3 40.7 71.7 96 105 A G T 3 > S- 0 0 28 -2,-2.1 4,-2.4 -3,-0.1 3,-1.4 -0.968 74.4-126.0-152.1 135.4 27.3 37.7 64.1 99 108 A P H 3>>S+ 0 0 17 0, 0.0 4,-2.4 0, 0.0 5,-1.0 0.762 108.2 65.7 -57.4 -25.0 30.1 37.0 61.5 100 109 A L H 34>S+ 0 0 3 3,-0.2 5,-2.6 2,-0.2 4,-0.4 0.885 113.0 34.4 -64.0 -34.4 30.0 40.6 60.2 101 110 A V H <4>S+ 0 0 0 -3,-1.4 5,-1.7 3,-0.2 -1,-0.2 0.943 124.7 40.1 -81.2 -53.9 31.2 41.6 63.7 102 111 A T H <5S+ 0 0 6 -4,-2.4 -2,-0.2 -6,-0.3 -1,-0.1 0.763 127.4 27.7 -70.3 -29.5 33.5 38.6 64.5 103 112 A R T <5S+ 0 0 43 -4,-2.4 -3,-0.2 -5,-0.3 -1,-0.2 0.737 132.8 18.5-106.0 -28.1 35.1 38.0 61.1 104 113 A L T > XS+ 0 0 2 -5,-1.0 5,-1.9 -4,-0.4 3,-1.7 0.834 123.7 39.8-109.9 -62.3 35.1 41.4 59.3 105 114 A A G > - 0 0 2 -61,-0.5 3,-1.6 22,-0.1 -61,-0.3 0.110 37.3 -49.6 85.3 160.6 16.6 47.1 51.8 117 126 A L T 3 S+ 0 0 3 1,-0.2 -63,-0.1 17,-0.2 3,-0.1 -0.388 126.7 18.3 -63.3 138.1 13.4 48.8 50.6 118 127 A G T 3 S+ 0 0 1 -65,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.446 110.7 88.3 82.1 -0.8 10.3 47.7 52.5 119 128 A L S X S+ 0 0 0 -3,-1.6 3,-2.1 7,-0.1 -64,-0.4 -0.823 82.9 2.4-126.0 166.2 12.2 46.3 55.5 120 129 A G T 3 S- 0 0 13 -37,-1.5 -34,-0.1 -35,-0.4 -35,-0.1 -0.382 132.8 -19.1 60.7-131.7 13.5 47.7 58.7 121 130 A K T 3 S+ 0 0 90 -2,-0.1 -1,-0.3 -36,-0.0 -37,-0.1 0.326 100.7 132.1 -91.2 8.5 12.5 51.4 59.1 122 131 A S < - 0 0 17 -3,-2.1 -68,-0.2 -6,-0.3 -5,-0.0 -0.256 54.5-144.2 -61.9 145.7 11.9 51.8 55.3 123 132 A N + 0 0 101 -70,-0.5 2,-0.2 2,-0.0 -1,-0.1 0.388 60.4 122.3 -91.1 4.4 8.6 53.5 54.3 124 133 A Y - 0 0 24 -71,-0.5 -72,-0.0 -5,-0.2 -2,-0.0 -0.467 64.5-134.8 -71.6 137.0 8.2 51.3 51.2 125 134 A A S S+ 0 0 85 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.647 82.8 8.1 -65.4 -19.3 4.9 49.4 51.1 126 135 A Y S S- 0 0 21 -7,-0.0 -7,-0.1 109,-0.0 -2,-0.0 -0.934 79.1-103.9-151.6 171.8 6.6 46.1 50.0 127 136 A H - 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0 0 90 2,-0.2 -1,-0.1 1,-0.1 3,-0.1 0.684 36.9-126.9 -77.9 -19.8 32.6 18.8 51.8 358 367 A G S S+ 0 0 72 1,-0.2 2,-0.5 2,-0.0 -1,-0.1 0.462 77.2 111.6 85.3 0.9 32.8 17.0 48.4 359 368 A N > - 0 0 87 1,-0.1 3,-2.3 0, 0.0 -1,-0.2 -0.944 62.6-149.9-113.0 120.3 30.5 14.3 49.7 360 369 A A G > S+ 0 0 71 -2,-0.5 3,-2.0 1,-0.3 -1,-0.1 0.742 93.4 75.9 -57.7 -24.1 27.0 14.0 48.3 361 370 A S G 3 S+ 0 0 101 1,-0.3 -1,-0.3 -3,-0.0 -35,-0.0 0.715 95.4 50.6 -60.8 -19.5 25.8 12.7 51.6 362 371 A D G < S+ 0 0 74 -3,-2.3 -1,-0.3 2,-0.0 -2,-0.2 0.433 79.1 122.2 -98.1 -1.8 26.1 16.3 52.8 363 372 A N < + 0 0 50 -3,-2.0 2,-0.3 -4,-0.2 -36,-0.2 -0.442 38.6 136.1 -62.5 130.2 24.0 17.7 50.0 364 373 A S B > -m 327 0E 41 -38,-2.6 -36,-1.8 -2,-0.2 3,-1.0 -0.972 68.6-113.6-171.8 157.3 21.1 19.5 51.6 365 374 A A T > S+ 0 0 1 -2,-0.3 3,-1.1 1,-0.2 4,-0.3 0.832 118.1 58.8 -66.4 -30.7 18.9 22.7 51.5 366 375 A F T 3> S+ 0 0 101 1,-0.2 4,-0.7 2,-0.2 3,-0.4 0.593 84.8 76.2 -74.7 -12.3 20.4 23.4 54.9 367 376 A A H <> S+ 0 0 6 -3,-1.0 4,-0.7 -41,-0.3 -1,-0.2 0.703 81.9 74.1 -70.9 -16.5 24.0 23.4 53.6 368 377 A H H X4 S+ 0 0 7 -3,-1.1 3,-1.3 -4,-0.3 4,-0.4 0.945 92.4 49.9 -59.7 -51.3 23.1 26.8 52.2 369 378 A M H >4 S+ 0 0 82 -3,-0.4 3,-1.0 -4,-0.3 4,-0.5 0.768 100.3 65.7 -61.3 -27.5 23.2 28.5 55.7 370 379 A L H 3X S+ 0 0 121 -4,-0.7 4,-1.4 1,-0.2 -1,-0.3 0.790 91.5 64.4 -66.2 -27.1 26.6 27.0 56.4 371 380 A T H S+ 0 0 51 -3,-1.0 4,-1.6 -4,-0.4 -1,-0.2 0.976 109.7 20.8 -55.9 -62.4 27.5 32.3 55.3 373 382 A E H > S+ 0 0 79 -4,-0.5 4,-2.3 2,-0.2 5,-0.2 0.903 124.1 55.5 -75.9 -39.3 30.3 32.2 57.8 374 383 A S H X S+ 0 0 60 -4,-1.4 4,-2.2 1,-0.2 -2,-0.2 0.924 114.1 40.8 -57.5 -46.6 32.5 29.7 56.0 375 384 A b H X S+ 0 0 0 -4,-2.3 4,-3.2 2,-0.2 5,-0.4 0.852 109.1 58.6 -71.4 -36.4 32.5 31.9 52.8 376 385 A I H X S+ 0 0 0 -4,-1.6 4,-1.8 -5,-0.4 -2,-0.2 0.949 111.1 44.3 -57.4 -45.3 32.9 35.1 54.7 377 386 A V H X S+ 0 0 29 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.941 115.8 46.9 -63.6 -47.9 36.1 33.7 56.2 378 387 A V H X S+ 0 0 31 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.915 113.9 44.8 -62.4 -47.9 37.3 32.3 52.8 379 388 A V H X>S+ 0 0 1 -4,-3.2 4,-2.4 2,-0.2 5,-2.2 0.860 112.5 52.9 -67.8 -34.2 36.7 35.4 50.7 380 389 A R H <>S+ 0 0 9 -4,-1.8 5,-3.0 -5,-0.4 6,-0.3 0.962 115.8 40.3 -62.8 -50.4 38.2 37.6 53.4 381 390 A D H <5S+ 0 0 72 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.896 123.8 37.4 -65.3 -43.6 41.4 35.5 53.4 382 391 A Q H <5S- 0 0 99 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.748 137.5 -1.3 -84.9 -25.5 41.6 34.9 49.7 383 392 A L T X5S+ 0 0 19 -4,-2.4 4,-1.1 -5,-0.2 3,-0.2 0.665 120.7 54.7-129.3 -58.5 40.5 38.2 48.2 384 393 A L H >>4