==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-JUL-06 2IY8 . COMPND 2 MOLECULE: PROTEIN PM0188; . SOURCE 2 ORGANISM_SCIENTIFIC: PASTEURELLA MULTOCIDA; . AUTHOR D.U.KIM,H.S.CHO . 377 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17272.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 272 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 15.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 0 0.0 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 . 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 . 29 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 28.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 1 2 3 1 1 1 1 0 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 3 3 2 1 0 1 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 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 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 25 A S 0 0 110 0, 0.0 2,-0.3 0, 0.0 77,-0.2 0.000 360.0 360.0 360.0 122.6 16.2 53.3 35.8 2 26 A K E -a 78 0A 95 75,-2.4 77,-2.7 72,-0.1 2,-0.5 -0.854 360.0-140.9-109.8 147.8 18.5 50.9 37.6 3 27 A T E -a 79 0A 37 -2,-0.3 2,-0.4 75,-0.2 77,-0.2 -0.945 12.9-166.2-113.1 118.4 18.5 47.2 36.9 4 28 A I E -a 80 0A 1 75,-2.6 77,-2.6 -2,-0.5 2,-0.5 -0.872 9.7-150.8-102.1 137.8 18.9 44.8 39.8 5 29 A T E -ab 81 33A 9 27,-2.8 29,-2.8 -2,-0.4 2,-0.5 -0.924 7.1-159.8-112.1 129.4 19.7 41.2 38.9 6 30 A L E -ab 82 34A 0 75,-2.6 77,-2.5 -2,-0.5 2,-0.6 -0.917 8.2-169.0-113.4 131.0 18.6 38.4 41.2 7 31 A Y E +ab 83 35A 4 27,-2.9 29,-4.5 -2,-0.5 2,-0.4 -0.937 20.4 170.0-116.4 105.3 20.1 34.9 41.2 8 32 A L E + b 0 36A 1 75,-1.6 29,-0.2 -2,-0.6 10,-0.1 -0.958 8.4 136.4-124.4 137.2 18.0 32.5 43.2 9 33 A D E - b 0 37A 0 27,-2.5 29,-2.2 -2,-0.4 30,-0.5 -0.772 31.7-168.1-176.0 127.9 18.2 28.7 43.6 10 34 A P S S+ 0 0 28 0, 0.0 -1,-0.1 0, 0.0 27,-0.1 0.676 82.4 49.5 -92.1 -14.4 18.0 26.1 46.4 11 35 A A S S- 0 0 7 27,-0.1 28,-0.5 1,-0.1 107,-0.1 0.325 89.0-101.7 -98.1-137.6 19.2 23.3 44.1 12 36 A S S > S+ 0 0 12 105,-0.6 4,-2.4 3,-0.1 5,-0.3 0.700 97.4 54.1-118.0 -71.8 22.0 22.8 41.6 13 37 A L H > S+ 0 0 9 104,-0.5 4,-2.2 1,-0.2 5,-0.2 0.853 110.2 48.5 -37.8 -59.4 21.3 23.1 37.9 14 38 A P H >> S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 3,-0.9 0.954 112.5 49.3 -47.7 -59.1 19.7 26.5 38.1 15 39 A A H 3> S+ 0 0 0 1,-0.3 4,-2.8 2,-0.2 5,-0.3 0.867 107.8 54.0 -44.7 -49.8 22.7 27.8 40.2 16 40 A L H 3X S+ 0 0 2 -4,-2.4 4,-1.1 1,-0.2 -1,-0.3 0.885 114.6 42.2 -56.2 -39.2 25.2 26.3 37.7 17 41 A N H < S+ 0 0 0 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.877 108.9 52.6 -55.9 -42.4 27.1 35.9 36.0 23 47 A T H >< S+ 0 0 0 -4,-2.6 3,-2.3 1,-0.3 -1,-0.2 0.936 101.8 59.1 -61.8 -43.9 30.5 34.9 34.8 24 48 A Q T 3< S+ 0 0 88 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.612 114.8 38.1 -61.6 -10.7 29.7 36.0 31.2 25 49 A N T X S+ 0 0 73 -3,-1.2 3,-1.8 -4,-0.5 -1,-0.3 0.211 76.5 116.7-123.6 12.3 29.1 39.5 32.7 26 50 A N T < + 0 0 14 -3,-2.3 -2,-0.1 1,-0.3 -3,-0.1 0.551 63.6 75.5 -62.6 -4.4 31.9 39.6 35.3 27 51 A E T 3 S+ 0 0 146 -4,-0.2 2,-1.3 1,-0.2 -1,-0.3 0.868 80.4 75.5 -72.2 -36.0 33.5 42.5 33.3 28 52 A D X - 0 0 64 -3,-1.8 3,-0.7 1,-0.2 -1,-0.2 -0.636 64.8-179.1 -78.3 94.4 30.8 44.7 34.8 29 53 A K T 3 S+ 0 0 91 -2,-1.3 22,-2.6 1,-0.2 -1,-0.2 0.640 72.5 43.6 -72.7 -15.6 32.1 45.2 38.3 30 54 A T T 3 S+ 0 0 70 20,-0.2 -1,-0.2 2,-0.1 20,-0.1 0.213 70.7 126.6-119.7 19.8 29.3 47.4 39.6 31 55 A H S < S- 0 0 48 -3,-0.7 2,-0.6 1,-0.1 -27,-0.1 -0.620 71.3-106.6 -76.9 131.7 26.0 46.0 38.4 32 56 A P + 0 0 18 0, 0.0 -27,-2.8 0, 0.0 2,-0.4 -0.430 49.8 177.3 -61.4 106.3 23.6 45.4 41.4 33 57 A R E -bc 5 53A 3 19,-2.2 21,-3.4 -2,-0.6 2,-0.5 -0.926 20.6-164.7-118.7 138.8 23.5 41.6 41.9 34 58 A I E -bc 6 54A 2 -29,-2.8 -27,-2.9 -2,-0.4 2,-0.6 -0.930 10.6-160.1-123.2 107.9 21.7 39.6 44.6 35 59 A F E +bc 7 55A 3 19,-3.0 21,-2.2 -2,-0.5 -27,-0.2 -0.767 17.6 172.4 -92.0 122.5 22.8 36.0 45.0 36 60 A G E +b 8 0A 0 -29,-4.5 -27,-2.5 -2,-0.6 2,-0.7 -0.526 24.8 149.1-122.7 60.9 20.4 33.6 46.7 37 61 A L E -b 9 0A 18 -29,-0.2 3,-0.4 3,-0.2 -29,-0.1 -0.858 26.8-173.6-104.3 108.3 22.3 30.4 46.1 38 62 A S S S+ 0 0 70 -29,-2.2 -1,-0.2 -2,-0.7 -27,-0.1 0.877 85.6 39.4 -66.5 -40.8 21.9 27.7 48.7 39 63 A R S S+ 0 0 68 -28,-0.5 2,-0.4 -30,-0.5 -1,-0.2 0.479 110.2 66.3 -91.1 -0.5 24.4 25.2 47.4 40 64 A F - 0 0 20 -3,-0.4 2,-0.5 2,-0.0 -3,-0.2 -0.973 56.4-165.4-129.5 135.3 27.1 27.7 46.3 41 65 A K - 0 0 157 -2,-0.4 181,-0.1 179,-0.3 -3,-0.0 -0.963 21.2-136.2-115.8 120.8 29.3 30.0 48.3 42 66 A I - 0 0 7 -2,-0.5 2,-0.1 1,-0.1 178,-0.1 -0.641 30.6-112.7 -78.1 126.5 31.0 32.8 46.3 43 67 A P >> - 0 0 22 0, 0.0 3,-2.2 0, 0.0 4,-1.9 -0.385 18.2-125.4 -63.4 129.6 34.7 33.1 47.5 44 68 A D H 3> S+ 0 0 108 1,-0.3 4,-2.5 2,-0.2 5,-0.3 0.866 108.8 61.0 -37.6 -55.6 35.5 36.3 49.3 45 69 A N H 34 S+ 0 0 99 1,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.825 109.1 42.9 -46.5 -36.3 38.4 37.1 47.0 46 70 A I H X4 S+ 0 0 8 -3,-2.2 3,-1.0 1,-0.2 -1,-0.3 0.878 112.5 56.1 -77.0 -36.6 35.9 37.1 44.1 47 71 A I H >< S+ 0 0 38 -4,-1.9 3,-1.9 1,-0.2 -2,-0.2 0.889 99.3 56.7 -60.6 -46.7 33.4 39.1 46.2 48 72 A T T 3< S+ 0 0 115 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.1 0.589 98.3 62.8 -65.5 -11.8 35.7 42.0 47.1 49 73 A Q T < S+ 0 0 101 -3,-1.0 2,-0.3 -5,-0.3 -1,-0.3 0.506 99.1 71.9 -88.5 -7.6 36.3 42.7 43.4 50 74 A Y < - 0 0 12 -3,-1.9 2,-0.3 -4,-0.2 3,-0.3 -0.806 64.9-152.8-114.6 153.6 32.6 43.5 43.0 51 75 A Q S S+ 0 0 126 -22,-2.6 -18,-0.2 -2,-0.3 3,-0.1 -0.910 77.4 19.9-120.9 149.1 30.3 46.3 44.1 52 76 A N S S+ 0 0 69 -2,-0.3 -19,-2.2 1,-0.2 2,-0.6 0.898 84.6 146.2 60.8 40.1 26.6 46.3 44.9 53 77 A I E -c 33 0A 24 -3,-0.3 2,-0.3 -21,-0.2 -1,-0.2 -0.956 24.1-179.0-111.6 119.3 26.8 42.6 45.3 54 78 A H E -c 34 0A 30 -21,-3.4 -19,-3.0 -2,-0.6 2,-0.4 -0.824 18.4-145.9-121.3 159.9 24.5 41.2 47.9 55 79 A F E -c 35 0A 90 -2,-0.3 2,-0.4 -21,-0.2 -19,-0.2 -0.981 12.1-171.7-127.7 134.3 23.6 37.8 49.4 56 80 A V - 0 0 11 -21,-2.2 2,-0.1 -2,-0.4 9,-0.0 -0.974 20.4-126.3-128.3 140.6 20.3 36.6 50.7 57 81 A E - 0 0 126 -2,-0.4 7,-1.6 -21,-0.1 2,-0.4 -0.397 20.4-135.5 -78.4 154.8 19.4 33.4 52.5 58 82 A L B +G 63 0B 26 5,-0.2 2,-0.4 -2,-0.1 34,-0.0 -0.959 24.5 173.5-116.9 132.8 16.7 31.0 51.3 59 83 A K - 0 0 126 3,-3.0 3,-0.2 -2,-0.4 -2,-0.0 -0.971 69.7 -6.2-141.8 127.4 14.1 29.5 53.6 60 84 A D S S- 0 0 106 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.899 131.9 -54.7 58.0 41.4 11.1 27.3 52.6 61 85 A N S S+ 0 0 54 1,-0.2 -1,-0.2 31,-0.0 -3,-0.0 0.825 121.1 97.5 61.3 36.7 12.0 28.0 49.0 62 86 A R S S- 0 0 62 -3,-0.2 -3,-3.0 31,-0.1 -1,-0.2 -0.987 79.1-105.1-156.0 144.2 11.9 31.7 49.4 63 87 A P B -G 58 0B 4 0, 0.0 -5,-0.2 0, 0.0 -27,-0.0 -0.425 44.2-122.2 -63.8 134.9 14.3 34.7 50.0 64 88 A T > - 0 0 34 -7,-1.6 3,-2.2 1,-0.1 4,-0.1 -0.213 34.4 -92.0 -70.9 171.9 14.0 35.9 53.6 65 89 A E T >> S+ 0 0 139 1,-0.3 3,-2.3 2,-0.2 4,-1.1 0.591 114.0 90.1 -64.3 -7.7 13.0 39.5 54.3 66 90 A A H 3> S+ 0 0 46 1,-0.3 4,-1.4 2,-0.2 -1,-0.3 0.802 77.3 69.4 -57.2 -22.2 16.7 40.3 54.4 67 91 A L H <> S+ 0 0 2 -3,-2.2 4,-2.0 1,-0.2 -1,-0.3 0.777 91.7 57.1 -64.2 -30.2 15.9 40.8 50.7 68 92 A F H <> S+ 0 0 20 -3,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.936 100.7 53.0 -70.8 -46.1 13.9 43.9 51.6 69 93 A T H X S+ 0 0 87 -4,-1.1 4,-0.9 1,-0.2 -1,-0.2 0.910 109.5 53.7 -54.6 -39.0 16.7 45.7 53.4 70 94 A I H >< S+ 0 0 18 -4,-1.4 3,-1.8 1,-0.2 -2,-0.2 0.982 109.9 44.0 -58.4 -61.1 18.7 45.1 50.2 71 95 A L H >< S+ 0 0 2 -4,-2.0 3,-2.8 1,-0.3 -1,-0.2 0.875 102.9 67.5 -52.5 -40.9 16.2 46.6 47.9 72 96 A D H 3< S+ 0 0 82 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.790 88.7 68.1 -51.3 -29.6 15.7 49.5 50.3 73 97 A Q T << S+ 0 0 112 -3,-1.8 -1,-0.3 -4,-0.9 -2,-0.2 0.555 90.0 67.3 -70.5 -7.2 19.2 50.6 49.5 74 98 A Y < + 0 0 15 -3,-2.8 -1,-0.2 -4,-0.2 4,-0.1 -0.838 58.8 174.8-120.9 93.6 18.2 51.5 45.9 75 99 A P + 0 0 99 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.607 51.2 84.8 -69.7 -22.9 15.8 54.6 45.9 76 100 A G S S- 0 0 25 1,-0.2 2,-0.6 -75,-0.0 -2,-0.1 -0.014 100.7 -68.1 -75.7-174.5 15.5 55.2 42.2 77 101 A N - 0 0 97 30,-0.1 -75,-2.4 -74,-0.0 2,-0.3 -0.679 64.0-166.0 -75.5 120.3 13.2 53.5 39.7 78 102 A I E -ad 2 107A 1 28,-0.7 30,-1.6 -2,-0.6 2,-0.4 -0.859 17.5-157.4-116.9 148.7 14.4 49.9 39.6 79 103 A E E -ad 3 108A 66 -77,-2.7 -75,-2.6 -2,-0.3 2,-0.5 -0.956 18.1-134.7-119.4 138.6 13.7 47.0 37.2 80 104 A L E -ad 4 109A 7 28,-2.4 30,-2.6 -2,-0.4 31,-1.8 -0.832 13.5-168.6-105.1 128.7 14.2 43.4 38.2 81 105 A N E -ad 5 111A 24 -77,-2.6 -75,-2.6 -2,-0.5 2,-0.5 -0.914 25.8-165.4-107.2 98.2 15.9 40.7 36.1 82 106 A I E -ad 6 112A 0 29,-2.4 31,-2.5 -2,-0.8 2,-0.5 -0.793 16.9-164.5 -99.3 128.1 15.0 37.6 38.0 83 107 A H E +ad 7 113A 3 -77,-2.5 -75,-1.6 -2,-0.5 2,-0.3 -0.919 25.5 176.9-104.4 126.4 16.7 34.2 37.6 84 108 A L E - d 0 114A 0 29,-3.2 31,-2.7 -2,-0.5 2,-0.6 -0.914 37.9-112.3-135.2 162.4 14.6 31.4 39.2 85 109 A N E - d 0 115A 0 -2,-0.3 3,-0.5 29,-0.2 7,-0.2 -0.808 31.3-141.1 -89.5 119.8 14.3 27.6 39.7 86 110 A I S > S+ 0 0 0 29,-3.0 3,-2.5 -2,-0.6 4,-0.4 0.937 95.6 54.3 -49.8 -60.0 11.3 26.4 37.7 87 111 A A T 3 S+ 0 0 12 1,-0.3 -1,-0.2 28,-0.3 3,-0.2 0.828 123.4 27.9 -45.6 -40.0 10.0 23.9 40.2 88 112 A H T 3> S+ 0 0 46 -3,-0.5 4,-2.6 1,-0.2 -1,-0.3 0.031 84.2 119.5-115.0 30.4 9.9 26.5 43.0 89 113 A S H <> S+ 0 0 0 -3,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.838 71.6 56.0 -62.4 -36.8 9.4 29.6 40.9 90 114 A V H > S+ 0 0 20 -4,-0.4 4,-0.6 -3,-0.2 -1,-0.2 0.910 115.3 36.2 -64.7 -44.8 6.1 30.4 42.5 91 115 A Q H >4 S+ 0 0 50 1,-0.2 3,-0.9 2,-0.2 -2,-0.2 0.908 112.4 59.2 -74.0 -42.9 7.5 30.5 46.1 92 116 A L H 3< S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.768 110.3 42.9 -58.0 -27.1 10.9 32.0 45.0 93 117 A I H >X S+ 0 0 0 -4,-1.3 4,-2.4 -5,-0.2 3,-1.1 0.631 89.0 94.7 -94.7 -13.8 9.2 35.1 43.6 94 118 A R H S+ 0 0 10 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.701 111.8 59.9 -70.0 -15.5 8.7 38.1 48.5 96 120 A I H <> S+ 0 0 4 -3,-1.1 4,-1.8 2,-0.2 -2,-0.2 0.929 111.8 38.7 -73.0 -47.5 9.8 39.8 45.3 97 121 A L H X S+ 0 0 16 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.875 112.9 57.5 -68.8 -37.7 6.2 40.5 44.4 98 122 A A H X S+ 0 0 46 -4,-2.6 4,-1.1 -5,-0.3 -2,-0.2 0.956 111.7 41.5 -57.0 -50.5 5.3 41.2 48.0 99 123 A Y H < S+ 0 0 7 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.855 110.7 59.3 -65.5 -34.5 8.0 43.9 48.1 100 124 A R H >< S+ 0 0 60 -4,-1.8 3,-2.3 1,-0.3 7,-0.2 0.947 102.3 51.2 -60.9 -48.2 6.8 45.0 44.7 101 125 A F H >< S+ 0 0 157 -4,-2.9 3,-0.7 1,-0.3 -1,-0.3 0.806 104.0 58.8 -60.7 -26.4 3.3 45.7 45.9 102 126 A K T 3< S+ 0 0 123 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.571 122.2 26.7 -77.6 -5.3 4.9 47.8 48.7 103 127 A H T X> + 0 0 40 -3,-2.3 4,-2.3 -4,-0.3 3,-1.1 -0.169 65.0 146.3-150.6 51.0 6.4 49.9 45.9 104 128 A L T <4 S+ 0 0 98 -3,-0.7 -3,-0.1 1,-0.2 -2,-0.1 0.855 77.7 62.1 -56.2 -35.6 4.3 49.8 42.7 105 129 A D T 34 S+ 0 0 129 -4,-0.1 -1,-0.2 1,-0.1 -2,-0.1 0.825 123.2 13.4 -58.2 -35.1 5.4 53.4 42.1 106 130 A R T <4 S+ 0 0 35 -3,-1.1 -28,-0.7 -6,-0.2 2,-0.3 0.824 111.4 69.0-111.7 -50.2 9.1 52.4 41.9 107 131 A V E < +d 78 0A 5 -4,-2.3 2,-0.3 -7,-0.2 -28,-0.2 -0.613 51.7 164.4 -86.1 134.6 9.7 48.6 41.5 108 132 A S E -d 79 0A 49 -30,-1.6 -28,-2.4 -2,-0.3 2,-0.5 -0.982 38.2-111.6-144.1 152.9 8.9 46.7 38.4 109 133 A I E -d 80 0A 20 -2,-0.3 -28,-0.2 -30,-0.2 3,-0.1 -0.758 23.8-173.8 -89.9 124.6 9.8 43.2 37.0 110 134 A Q E - 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0 0 103 1,-0.2 4,-3.0 -2,-0.1 5,-0.2 -0.673 37.9-170.5 -79.1 92.0 -6.5 18.3 29.3 133 157 A I H > S+ 0 0 8 -2,-1.5 4,-2.2 53,-0.2 -1,-0.2 0.936 80.8 53.4 -51.1 -54.8 -3.3 20.2 29.0 134 158 A S H > S+ 0 0 50 1,-0.2 4,-1.7 2,-0.2 3,-0.3 0.915 112.8 43.6 -47.3 -53.6 -4.9 23.1 27.1 135 159 A A H > S+ 0 0 43 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.963 109.1 58.0 -57.7 -52.5 -7.5 23.5 29.8 136 160 A E H X S+ 0 0 34 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.823 105.8 52.0 -45.4 -39.7 -4.9 23.2 32.6 137 161 A I H X S+ 0 0 9 -4,-2.2 4,-2.9 -3,-0.3 3,-0.4 0.989 108.5 45.4 -63.3 -64.9 -3.0 26.1 31.1 138 162 A K H X S+ 0 0 109 -4,-1.7 4,-2.3 1,-0.3 5,-0.2 0.877 113.0 54.0 -47.1 -43.7 -5.9 28.6 30.9 139 163 A Q H X S+ 0 0 65 -4,-2.5 4,-1.7 1,-0.2 -1,-0.3 0.923 110.4 46.3 -58.0 -45.8 -6.8 27.6 34.5 140 164 A A H X S+ 0 0 1 -4,-1.9 4,-1.9 -3,-0.4 5,-0.2 0.908 108.2 55.5 -66.1 -42.9 -3.2 28.3 35.6 141 165 A E H >X S+ 0 0 63 -4,-2.9 4,-2.3 1,-0.2 3,-0.9 0.968 108.5 48.4 -52.9 -56.6 -3.0 31.7 33.8 142 166 A K H 3X S+ 0 0 136 -4,-2.3 4,-2.0 1,-0.3 -1,-0.2 0.866 111.3 49.9 -52.2 -40.9 -6.1 32.9 35.6 143 167 A Q H 3X S+ 0 0 20 -4,-1.7 4,-2.0 2,-0.2 11,-0.3 0.761 108.5 52.1 -73.7 -24.0 -4.8 31.7 39.0 144 168 A L H X S+ 0 0 3 -4,-2.0 4,-2.6 1,-0.2 3,-0.6 0.921 111.8 48.9 -63.0 -46.5 -1.7 35.6 42.6 148 172 A L H 3< S+ 0 0 40 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.814 116.5 43.9 -64.2 -30.5 -0.3 38.7 41.0 149 173 A L H 3< S+ 0 0 125 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.503 129.1 21.7 -93.9 -7.8 -3.3 40.7 42.1 150 174 A T H << S- 0 0 57 -4,-1.0 -3,-0.2 -3,-0.6 -2,-0.2 0.507 92.2-122.3-133.6 -15.2 -3.7 39.5 45.7 151 175 A G S < S+ 0 0 49 -4,-2.6 2,-0.4 -5,-0.3 -4,-0.2 0.510 72.8 131.6 79.2 4.5 -0.4 38.1 46.7 152 176 A K - 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