==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-JUL-04 1WMF . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SP.; . AUTHOR T.NONAKA,M.FUJIHASHI,A.KITA,K.SAEKI,S.ITO,K.HORIKOSHI,K.MIKI . 434 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14535.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 284 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 13.1 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 . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 0.2 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 . 36 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.2 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 1 2 0 0 0 2 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 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 0 0 PARALLEL BRIDGES PER LADDER . 3 1 1 1 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 1 2 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 1 A N > 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -45.7 17.4 62.7 65.6 2 2 A D H > + 0 0 84 226,-0.3 4,-0.9 1,-0.2 9,-0.1 0.869 360.0 39.8 -61.4 -37.8 19.5 65.4 67.3 3 3 A V H >> S+ 0 0 41 2,-0.2 4,-2.0 1,-0.2 3,-0.5 0.914 115.1 51.0 -77.5 -42.7 18.4 64.3 70.7 4 4 A A H 3> S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 6,-0.3 0.883 102.4 63.3 -59.9 -33.9 18.6 60.6 69.9 5 5 A R H 3<>S+ 0 0 69 -4,-2.8 5,-1.7 1,-0.2 6,-1.4 0.895 107.3 42.5 -56.0 -41.4 22.1 61.2 68.5 6 6 A G H X<5S+ 0 0 27 -4,-0.9 3,-0.6 -3,-0.5 -1,-0.2 0.892 111.7 54.2 -74.1 -40.5 23.3 62.2 72.0 7 7 A I H 3<5S+ 0 0 25 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.923 114.3 38.9 -61.3 -45.9 21.4 59.4 73.8 8 8 A V T 3<5S- 0 0 0 -4,-2.6 304,-3.0 -5,-0.1 -1,-0.2 0.389 113.4-117.4 -90.2 3.8 22.9 56.6 71.7 9 9 A K T <>5S+ 0 0 70 -3,-0.6 4,-1.9 -4,-0.3 -3,-0.2 0.713 73.1 135.1 70.5 24.0 26.4 58.3 71.7 10 10 A A H >< + 0 0 0 -5,-1.7 4,-2.5 -6,-0.3 -4,-0.2 0.780 69.7 64.8 -67.1 -22.3 26.5 58.8 68.0 11 11 A D H > S+ 0 0 48 -6,-1.4 4,-3.5 2,-0.2 5,-0.3 0.921 103.7 43.6 -66.8 -43.3 27.6 62.3 68.9 12 12 A V H >>S+ 0 0 33 -7,-0.2 4,-2.7 2,-0.2 5,-1.1 0.903 112.1 53.3 -65.7 -44.0 30.8 60.9 70.5 13 13 A A H <5S+ 0 0 0 -4,-1.9 6,-2.6 3,-0.2 4,-0.5 0.903 117.5 38.2 -58.4 -41.8 31.3 58.5 67.6 14 14 A Q H X5S+ 0 0 9 -4,-2.5 4,-1.1 4,-0.2 -2,-0.2 0.962 124.9 36.3 -71.9 -52.7 31.1 61.5 65.2 15 15 A S H <5S+ 0 0 85 -4,-3.5 -3,-0.2 -5,-0.2 -2,-0.2 0.908 130.1 26.8 -72.7 -44.7 33.0 64.1 67.2 16 16 A S T <5S+ 0 0 92 -4,-2.7 -3,-0.2 -5,-0.3 -1,-0.2 0.759 133.0 32.0 -93.2 -25.1 35.7 62.1 68.9 17 17 A Y T 4 + 0 0 0 1,-0.2 3,-2.3 68,-0.2 70,-0.3 0.514 61.3 166.1 85.7 6.2 29.3 56.5 58.0 22 22 A Q T 3 + 0 0 99 1,-0.3 -1,-0.2 68,-0.2 68,-0.2 -0.241 68.4 24.8 -52.6 137.3 31.3 57.6 54.9 23 23 A G T 3 S+ 0 0 55 66,-0.5 2,-0.3 1,-0.3 -1,-0.3 0.163 102.4 105.7 93.8 -21.5 32.1 54.6 52.7 24 24 A Q < - 0 0 13 -3,-2.3 67,-2.5 63,-0.1 2,-0.5 -0.647 54.9-153.8 -96.7 150.4 29.1 52.6 54.0 25 25 A I E -a 91 0A 35 97,-0.3 99,-1.9 -2,-0.3 100,-0.9 -0.986 8.6-165.9-123.9 120.4 25.9 52.0 52.1 26 26 A V E -ab 92 125A 0 65,-2.4 67,-2.7 -2,-0.5 2,-0.4 -0.902 9.1-147.0-107.8 134.0 22.7 51.3 53.9 27 27 A A E -ab 93 126A 0 98,-3.9 100,-2.9 -2,-0.5 2,-0.5 -0.821 10.5-166.0 -96.2 139.1 19.6 49.9 52.3 28 28 A V E -ab 94 127A 0 65,-2.9 67,-2.6 -2,-0.4 2,-0.7 -0.997 6.0-164.4-122.7 123.8 16.2 51.0 53.5 29 29 A A E +a 95 0A 0 98,-1.7 100,-0.5 -2,-0.5 2,-0.2 -0.946 43.0 117.4-104.9 107.6 13.0 49.1 52.4 30 30 A D E S-a 96 0A 5 65,-1.4 67,-2.4 -2,-0.7 68,-0.5 -0.821 74.9 -61.1-157.7-168.4 10.1 51.3 53.2 31 31 A T S S- 0 0 11 -2,-0.2 67,-1.3 65,-0.2 2,-0.3 0.937 92.1 -62.1 -56.6 -57.2 7.1 53.2 51.7 32 32 A G - 0 0 0 64,-0.2 2,-0.5 65,-0.1 31,-0.2 -0.957 43.5-101.5-177.4 175.7 8.9 55.7 49.4 33 33 A L > - 0 0 0 29,-2.6 3,-2.5 -2,-0.3 4,-0.2 -0.885 56.9 -84.4-128.3 99.0 11.4 58.5 49.4 34 34 A D T 3 S+ 0 0 4 -2,-0.5 30,-2.6 1,-0.3 -1,-0.1 -0.121 113.6 0.2 43.7-123.3 10.1 62.1 49.0 35 35 A T T 3 S- 0 0 35 28,-0.2 28,-0.3 6,-0.2 -1,-0.3 0.688 93.0-129.4 -69.2 -17.4 9.6 62.9 45.3 36 36 A G S < S+ 0 0 16 -3,-2.5 26,-0.5 26,-0.3 2,-0.4 0.611 72.2 110.9 77.5 13.1 10.8 59.5 44.3 37 37 A R - 0 0 147 -4,-0.2 2,-1.5 2,-0.1 -1,-0.2 -0.981 66.8-137.8-121.0 134.3 13.3 60.8 41.8 38 38 A N S S+ 0 0 85 -2,-0.4 2,-0.2 15,-0.1 15,-0.0 -0.596 74.2 83.7 -87.9 76.0 17.1 60.7 42.2 39 39 A D S > S- 0 0 54 -2,-1.5 3,-1.9 0, 0.0 9,-0.1 -0.789 102.6 -60.6-153.8-168.6 17.8 64.3 40.9 40 40 A S T 3 S+ 0 0 103 1,-0.3 7,-0.1 -2,-0.2 -2,-0.1 0.661 121.6 71.3 -68.1 -10.2 17.8 67.8 42.2 41 41 A S T 3 S+ 0 0 53 2,-0.0 -1,-0.3 -6,-0.0 -6,-0.2 0.686 78.3 110.4 -74.8 -12.1 14.1 67.6 43.1 42 42 A M S < S- 0 0 1 -3,-1.9 5,-0.2 1,-0.1 -8,-0.1 -0.321 83.7 -87.2 -74.6 143.6 15.0 65.3 46.0 43 43 A H >> - 0 0 11 1,-0.2 3,-2.7 3,-0.1 4,-2.4 -0.076 38.9-117.7 -39.4 131.3 14.8 66.3 49.7 44 44 A E T 34 S+ 0 0 41 1,-0.3 -1,-0.2 2,-0.2 35,-0.1 0.756 110.1 67.6 -50.0 -27.3 17.9 68.0 50.9 45 45 A A T 34 S+ 0 0 2 1,-0.2 34,-1.8 202,-0.1 -1,-0.3 0.697 119.8 15.7 -71.0 -13.8 18.5 65.2 53.4 46 46 A F T X4 S+ 0 0 1 -3,-2.7 3,-2.6 32,-0.2 -2,-0.2 0.568 87.4 125.1-134.6 -15.2 19.2 62.6 50.6 47 47 A R T 3< S+ 0 0 120 -4,-2.4 -7,-0.1 1,-0.3 -9,-0.1 -0.315 86.9 10.6 -52.3 125.1 19.8 64.6 47.4 48 48 A G T 3 S+ 0 0 74 -9,-0.1 -1,-0.3 2,-0.1 -4,-0.1 0.355 115.0 78.8 87.4 -4.9 23.2 63.5 46.0 49 49 A K < + 0 0 17 -3,-2.6 43,-3.0 42,-0.1 2,-0.7 0.151 60.0 115.5-122.1 22.2 23.7 60.6 48.4 50 50 A I E -c 92 0A 15 41,-0.2 43,-0.2 -4,-0.2 3,-0.2 -0.835 36.7-177.2-102.2 116.5 21.4 58.0 46.7 51 51 A T E S- 0 0 56 41,-1.9 2,-0.3 -2,-0.7 42,-0.2 0.915 77.3 -10.4 -65.5 -48.6 23.1 54.9 45.3 52 52 A A E -c 93 0A 12 40,-1.4 42,-3.1 2,-0.0 2,-0.4 -0.972 53.2-159.2-158.1 146.2 19.9 53.5 44.0 53 53 A L E -c 94 0A 32 -2,-0.3 2,-0.4 40,-0.2 42,-0.2 -0.947 21.7-170.1-130.2 104.1 16.2 54.3 44.3 54 54 A Y E -c 95 0A 76 40,-3.4 42,-2.9 -2,-0.4 2,-0.8 -0.847 17.8-149.8-107.1 130.5 13.9 51.4 43.4 55 55 A A E +c 96 0A 35 -2,-0.4 5,-0.4 40,-0.2 42,-0.1 -0.827 34.6 149.6 -98.4 106.9 10.1 51.3 42.9 56 56 A L + 0 0 46 40,-2.8 41,-0.2 -2,-0.8 3,-0.2 0.779 68.1 44.5-104.8 -36.5 8.9 47.9 43.9 57 57 A G S S+ 0 0 20 39,-2.2 43,-0.5 1,-0.3 2,-0.4 0.807 125.6 25.9 -82.6 -32.0 5.4 48.4 45.1 58 58 A R S > S- 0 0 35 3,-0.4 3,-2.0 38,-0.4 -1,-0.3 -0.949 93.9-119.5-136.2 109.1 4.2 50.7 42.4 59 59 A T T 3 S+ 0 0 114 -2,-0.4 -3,-0.1 1,-0.3 -2,-0.0 -0.154 95.1 5.1 -53.9 134.7 6.0 50.4 39.1 60 60 A N T 3 S+ 0 0 157 -5,-0.4 -1,-0.3 1,-0.1 2,-0.2 0.789 114.9 92.3 63.3 22.5 7.7 53.5 38.0 61 61 A N < + 0 0 56 -3,-2.0 -3,-0.4 35,-0.1 -4,-0.1 -0.672 29.7 155.1-152.8 106.8 6.9 55.3 41.3 62 62 A A + 0 0 6 -26,-0.5 -29,-2.6 -2,-0.2 -26,-0.3 0.106 38.7 127.0-109.8 24.1 9.0 55.4 44.4 63 63 A N - 0 0 27 -28,-0.3 2,-0.5 -31,-0.2 -28,-0.2 -0.178 57.1-123.5 -77.4 176.0 7.7 58.6 45.9 64 64 A D + 0 0 0 -30,-2.6 170,-0.5 -32,-0.2 -30,-0.1 -0.766 39.0 157.2-131.2 90.1 6.4 59.0 49.4 65 65 A T S S+ 0 0 71 -2,-0.5 -1,-0.1 1,-0.1 -30,-0.0 0.560 81.8 53.1 -80.6 -10.7 2.9 60.3 49.9 66 66 A N S S- 0 0 63 169,-0.2 -1,-0.1 -3,-0.1 -2,-0.1 0.878 91.5-142.5 -90.5 -49.6 2.8 58.6 53.4 67 67 A G S > S+ 0 0 0 168,-0.1 4,-1.9 -35,-0.1 165,-0.2 0.101 70.7 104.0 109.6 -23.8 5.9 60.0 55.0 68 68 A H H > S+ 0 0 36 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.926 82.2 43.3 -58.6 -55.6 7.0 56.9 56.9 69 69 A G H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.845 113.2 52.8 -63.9 -34.6 9.9 55.7 54.6 70 70 A T H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 160,-0.3 0.918 111.7 45.3 -68.7 -38.3 11.2 59.3 54.2 71 71 A H H X S+ 0 0 0 -4,-1.9 4,-1.5 2,-0.2 159,-0.4 0.940 113.1 51.8 -70.0 -41.4 11.4 59.9 57.9 72 72 A V H >X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 3,-0.6 0.962 110.6 45.1 -60.6 -52.9 12.9 56.5 58.5 73 73 A A H 3X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 5,-0.5 0.891 108.3 60.3 -59.3 -35.4 15.7 57.0 55.9 74 74 A G H 3X S+ 0 0 1 -4,-1.8 4,-1.6 -5,-0.2 -1,-0.2 0.847 103.0 50.8 -61.5 -32.5 16.3 60.4 57.4 75 75 A S H << S+ 0 0 0 -4,-1.5 11,-2.6 -3,-0.6 -1,-0.2 0.822 111.0 49.6 -74.5 -31.9 17.1 58.9 60.8 76 76 A V H < S- 0 0 0 -4,-1.5 11,-2.0 9,-0.2 -2,-0.2 0.960 140.7 -20.3 -68.4 -50.7 19.6 56.5 59.2 77 77 A L H < S+ 0 0 0 -4,-2.2 -3,-0.2 9,-0.2 -2,-0.2 0.175 76.1 156.5-154.7 14.6 21.7 58.9 57.2 78 78 A G < - 0 0 2 -4,-1.6 7,-1.8 -5,-0.5 -32,-0.2 -0.246 17.7-172.0 -53.1 136.8 19.8 62.2 56.4 79 79 A N + 0 0 53 -34,-1.8 -1,-0.1 5,-0.2 5,-0.1 -0.117 31.3 136.7-129.2 41.4 22.4 64.9 55.7 80 80 A G S S- 0 0 4 2,-0.3 4,-0.1 3,-0.1 -35,-0.1 -0.107 74.6 -92.3 -73.7 179.8 20.2 68.1 55.6 81 81 A S S S+ 0 0 92 2,-0.1 2,-0.3 3,-0.0 3,-0.1 0.756 110.1 24.5 -65.5 -25.8 21.2 71.3 57.2 82 82 A T S S+ 0 0 63 1,-0.1 -2,-0.3 0, 0.0 -1,-0.0 -0.886 114.1 23.0-134.5 165.2 19.3 70.2 60.3 83 83 A N S S- 0 0 9 -2,-0.3 147,-0.2 1,-0.1 -1,-0.1 0.835 76.0-167.2 53.0 45.3 18.1 67.1 62.1 84 84 A K - 0 0 78 -4,-0.1 -5,-0.2 -3,-0.1 -1,-0.1 -0.208 18.7-113.0 -64.1 151.2 20.7 64.8 60.5 85 85 A G - 0 0 0 -7,-1.8 -9,-0.2 -40,-0.1 -8,-0.2 -0.121 38.2 -95.5 -71.6 179.3 20.5 61.0 60.7 86 86 A M S S+ 0 0 0 -11,-2.6 -9,-0.2 1,-0.3 -10,-0.1 0.801 121.2 34.1 -71.0 -26.0 23.1 59.1 62.7 87 87 A A S > S+ 0 0 0 -11,-2.0 3,-2.5 -12,-0.2 -1,-0.3 -0.548 71.0 168.4-126.7 61.4 25.4 58.3 59.7 88 88 A P T 3 S+ 0 0 3 0, 0.0 -67,-0.2 0, 0.0 -11,-0.1 0.551 74.0 52.3 -66.5 -10.1 25.0 61.4 57.6 89 89 A Q T 3 S+ 0 0 93 -69,-3.0 -66,-0.5 -3,-0.1 -68,-0.2 0.423 86.2 103.8-102.5 5.1 27.8 60.6 55.2 90 90 A A S < S- 0 0 0 -3,-2.5 2,-0.2 -70,-0.7 -65,-0.2 -0.460 72.1-120.9 -74.0 155.4 26.6 57.1 54.4 91 91 A N E -a 25 0A 65 -67,-2.5 -65,-2.4 -70,-0.3 2,-0.5 -0.662 24.9-123.6 -95.6 162.1 25.0 56.5 51.0 92 92 A L E -ac 26 50A 0 -43,-3.0 -41,-1.9 -2,-0.2 -40,-1.4 -0.853 19.8-172.3-113.8 128.8 21.4 55.3 50.5 93 93 A V E -ac 27 52A 0 -67,-2.7 -65,-2.9 -2,-0.5 2,-0.5 -0.969 23.4-167.2-103.2 124.8 19.9 52.3 48.7 94 94 A F E -ac 28 53A 0 -42,-3.1 -40,-3.4 -2,-0.5 2,-0.6 -0.967 14.4-169.8-123.7 126.7 16.1 52.8 48.9 95 95 A Q E -ac 29 54A 0 -67,-2.6 -65,-1.4 -2,-0.5 2,-0.6 -0.937 15.0-150.2-111.4 101.1 13.6 50.1 48.0 96 96 A S E +ac 30 55A 0 -42,-2.9 -40,-2.8 -2,-0.6 -39,-2.2 -0.636 24.8 166.5 -75.8 109.9 10.0 51.6 47.8 97 97 A I + 0 0 0 -67,-2.4 9,-2.5 -2,-0.6 10,-0.4 0.408 31.5 118.2-110.7 -0.4 7.6 48.8 48.7 98 98 A M - 0 0 12 -67,-1.3 6,-0.3 -68,-0.5 2,-0.2 -0.487 52.2-148.3 -67.3 136.1 4.3 50.7 49.3 99 99 A D > - 0 0 40 4,-2.5 3,-1.3 -2,-0.2 -41,-0.2 -0.473 31.1 -97.6 -95.2 175.3 1.6 49.6 46.9 100 100 A S T 3 S+ 0 0 117 -43,-0.5 -42,-0.1 1,-0.2 -1,-0.1 0.847 122.9 58.8 -59.1 -34.2 -1.2 51.8 45.5 101 101 A G T 3 S- 0 0 73 1,-0.1 -1,-0.2 0, 0.0 3,-0.1 0.596 122.0-103.2 -74.2 -14.0 -3.6 50.4 48.2 102 102 A G S < S+ 0 0 55 -3,-1.3 -2,-0.1 1,-0.3 -1,-0.1 0.463 87.9 111.9 104.2 4.5 -1.3 51.6 51.1 103 103 A G S S- 0 0 30 -46,-0.1 -4,-2.5 -72,-0.0 -1,-0.3 -0.130 80.8-101.0 -96.1-167.2 0.1 48.2 51.7 104 104 A L > + 0 0 68 -6,-0.3 3,-1.6 1,-0.2 -6,-0.2 -0.289 63.1 139.2-114.9 46.0 3.5 46.6 51.3 105 105 A G T 3 + 0 0 53 1,-0.3 -1,-0.2 -48,-0.1 -7,-0.2 0.635 56.8 76.5 -70.1 -14.5 2.9 44.7 48.1 106 106 A G T 3 S+ 0 0 11 -9,-2.5 -1,-0.3 -3,-0.2 -8,-0.1 0.627 70.8 105.3 -71.0 -12.5 6.3 45.6 46.7 107 107 A L S < S- 0 0 37 -3,-1.6 2,-0.1 -10,-0.4 4,-0.1 -0.494 76.7-123.1 -64.2 134.8 7.8 43.0 49.0 108 108 A P - 0 0 36 0, 0.0 6,-0.1 0, 0.0 -1,-0.1 -0.422 17.3-116.7 -74.3 158.5 8.8 39.9 47.0 109 109 A S S S+ 0 0 119 1,-0.2 2,-0.8 -2,-0.1 3,-0.1 0.885 112.7 49.5 -59.7 -41.4 7.4 36.6 48.0 110 110 A N S >> S- 0 0 61 1,-0.1 3,-2.0 34,-0.0 4,-0.6 -0.879 77.7-158.5-101.6 107.8 10.9 35.5 48.8 111 111 A L H >> S+ 0 0 2 -2,-0.8 4,-2.0 1,-0.3 3,-0.6 0.730 86.2 76.2 -57.0 -21.7 12.5 38.2 50.9 112 112 A Q H 3> S+ 0 0 33 1,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.856 89.2 58.2 -61.1 -29.3 15.9 36.9 49.8 113 113 A T H <> S+ 0 0 84 -3,-2.0 4,-2.0 1,-0.2 -1,-0.3 0.823 104.0 51.8 -64.9 -34.0 15.3 38.7 46.5 114 114 A L H <>S+ 0 0 0 -4,-1.8 5,-2.1 2,-0.2 3,-0.5 0.940 111.8 52.7 -65.0 -43.9 20.3 45.7 47.8 119 119 A Y H ><5S+ 0 0 54 -4,-2.8 3,-1.9 1,-0.3 -2,-0.2 0.915 105.5 53.1 -57.7 -47.1 23.5 43.6 48.1 120 120 A S H 3<5S+ 0 0 107 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.781 104.9 56.8 -61.4 -25.8 24.1 43.9 44.3 121 121 A A T <<5S- 0 0 22 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.528 127.5-100.8 -81.3 -6.8 23.8 47.7 44.7 122 122 A G T < 5S+ 0 0 27 -3,-1.9 -97,-0.3 -4,-0.4 -3,-0.2 0.359 73.0 144.1 106.9 -3.9 26.6 47.6 47.3 123 123 A A < + 0 0 0 -5,-2.1 -1,-0.3 -6,-0.2 -97,-0.2 -0.480 23.1 176.6 -70.5 141.4 24.5 47.8 50.6 124 124 A R S S+ 0 0 59 -99,-1.9 31,-2.7 1,-0.2 2,-0.4 0.287 70.4 57.2-122.0 4.6 25.9 45.8 53.5 125 125 A I E -bd 26 155A 0 -100,-0.9 -98,-3.9 29,-0.2 2,-0.4 -0.997 63.9-172.3-137.3 134.7 23.3 47.0 56.0 126 126 A H E -bd 27 156A 0 29,-2.7 31,-3.1 -2,-0.4 2,-0.4 -0.979 4.3-168.0-137.6 114.4 19.5 46.5 55.4 127 127 A T E -bd 28 157A 0 -100,-2.9 -98,-1.7 -2,-0.4 2,-0.4 -0.916 3.5-171.7-119.8 137.4 17.0 48.1 57.6 128 128 A N E - 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