==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE(PHOSPHOTRANSFERASE) 25-JAN-88 4PFK . COMPND 2 MOLECULE: PHOSPHOFRUCTOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR P.R.EVANS,P.J.HUDSON . 319 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14133.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 237 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 3.8 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 . 17 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 35.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.5 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 1 1 0 2 1 2 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 1 2 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 . 0 0 0 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 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 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 M 0 0 75 0, 0.0 3,-0.1 0, 0.0 93,-0.1 0.000 360.0 360.0 360.0 167.5 28.0 -32.2 -0.6 2 2 A K + 0 0 110 1,-0.3 31,-3.2 30,-0.1 2,-0.4 0.526 360.0 43.9-122.4 -14.9 24.8 -33.7 -1.9 3 3 A R E +a 33 0A 72 29,-0.2 92,-2.5 90,-0.1 93,-0.9 -0.987 59.2 171.7-140.1 128.2 22.4 -32.8 0.9 4 4 A I E -ab 34 96A 0 29,-2.4 31,-2.2 -2,-0.4 2,-0.3 -0.802 18.7-141.1-126.3 166.9 21.9 -29.6 2.9 5 5 A G E -ab 35 97A 0 91,-2.1 93,-2.2 -2,-0.3 2,-0.3 -0.761 9.9-162.7-121.4 166.0 19.4 -28.4 5.4 6 6 A V E +ab 36 98A 0 29,-0.9 31,-2.3 -2,-0.3 2,-0.3 -0.948 13.7 168.2-150.5 139.1 17.8 -24.9 5.9 7 7 A L E - b 0 99A 0 91,-1.5 93,-2.6 -2,-0.3 2,-0.4 -0.965 27.1-133.1-151.6 162.7 16.0 -23.5 8.9 8 8 A T E + b 0 100A 0 61,-0.5 63,-0.3 29,-0.4 2,-0.3 -0.973 29.2 171.8-121.6 132.3 14.7 -20.2 10.3 9 9 A S E + b 0 101A 10 91,-1.9 93,-0.6 -2,-0.4 2,-0.2 -0.940 40.5 28.6-138.3 159.5 15.3 -19.2 14.0 10 10 A G S S- 0 0 11 61,-0.5 2,-0.2 -2,-0.3 115,-0.1 -0.468 110.9 -17.8 85.1-162.2 14.8 -16.1 16.1 11 11 A G S S- 0 0 18 -2,-0.2 -2,-0.1 1,-0.1 60,-0.0 -0.571 80.4-109.8 -77.5 141.0 12.0 -13.7 15.5 12 12 A D - 0 0 41 -2,-0.2 114,-0.2 -4,-0.1 -1,-0.1 -0.207 35.1-165.7 -65.9 158.0 10.6 -13.9 11.9 13 13 A S > - 0 0 0 112,-0.1 3,-1.8 52,-0.1 2,-0.3 -0.985 31.4 -96.3-147.8 150.0 11.2 -11.2 9.4 14 14 A P T 3 S+ 0 0 0 0, 0.0 127,-0.2 0, 0.0 50,-0.2 -0.544 112.7 38.1 -65.1 125.4 9.8 -10.2 6.0 15 15 A G T 3> S+ 0 0 0 48,-0.6 4,-1.3 50,-0.3 5,-0.1 0.274 76.5 112.1 113.5 -9.5 12.1 -11.8 3.4 16 16 A M H <> S+ 0 0 0 -3,-1.8 4,-2.4 49,-0.3 3,-0.3 0.926 80.5 51.6 -58.7 -45.1 12.8 -15.1 5.2 17 17 A N H > S+ 0 0 2 48,-0.9 4,-2.3 46,-0.4 -1,-0.2 0.810 105.5 52.3 -63.1 -36.9 10.8 -16.9 2.5 18 18 A A H > S+ 0 0 0 43,-0.3 4,-1.3 45,-0.2 -1,-0.2 0.792 111.9 50.2 -70.1 -26.1 12.8 -15.2 -0.4 19 19 A A H X S+ 0 0 0 -4,-1.3 4,-2.7 -3,-0.3 3,-0.3 0.947 110.1 46.9 -69.3 -53.6 15.9 -16.5 1.5 20 20 A I H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.3 -2,-0.2 0.898 110.9 55.7 -52.7 -48.3 14.6 -20.0 1.8 21 21 A R H X S+ 0 0 73 -4,-2.3 4,-2.5 2,-0.2 -1,-0.3 0.841 108.7 44.1 -58.2 -41.0 13.7 -19.8 -1.8 22 22 A S H X S+ 0 0 12 -4,-1.3 4,-3.8 -3,-0.3 5,-0.3 0.897 113.1 51.4 -78.4 -37.6 17.3 -18.9 -3.1 23 23 A V H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.949 114.9 44.1 -58.9 -48.2 18.9 -21.6 -0.8 24 24 A V H X S+ 0 0 0 -4,-2.9 4,-1.7 2,-0.2 -2,-0.2 0.905 121.6 37.2 -61.3 -49.7 16.4 -24.1 -2.3 25 25 A R H X S+ 0 0 80 -4,-2.5 4,-2.4 2,-0.2 5,-0.3 0.923 115.9 52.8 -71.7 -46.1 16.9 -23.0 -5.9 26 26 A K H X S+ 0 0 47 -4,-3.8 4,-1.0 -5,-0.2 -2,-0.2 0.941 111.5 47.2 -53.5 -51.9 20.6 -22.3 -5.6 27 27 A A H <>S+ 0 0 0 -4,-2.8 5,-3.1 -5,-0.3 3,-0.3 0.864 113.3 47.1 -56.7 -45.3 21.2 -25.8 -4.1 28 28 A I H ><5S+ 0 0 56 -4,-1.7 3,-2.2 3,-0.3 -1,-0.2 0.830 104.5 59.2 -67.9 -35.5 19.1 -27.6 -6.8 29 29 A Y H 3<5S+ 0 0 197 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.816 108.8 48.3 -58.0 -32.7 20.7 -25.7 -9.7 30 30 A H T 3<5S- 0 0 76 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.268 122.5-113.0 -89.1 2.4 23.9 -27.2 -8.3 31 31 A G T < 5S+ 0 0 66 -3,-2.2 -3,-0.3 1,-0.3 2,-0.2 0.521 75.1 132.3 70.1 13.2 22.3 -30.7 -8.2 32 32 A V < - 0 0 8 -5,-3.1 2,-0.4 -6,-0.2 -1,-0.3 -0.633 55.1-125.1 -89.7 154.3 22.4 -30.7 -4.4 33 33 A E E -a 3 0A 64 -31,-3.2 -29,-2.4 -2,-0.2 2,-0.4 -0.844 19.2-142.4-104.0 144.5 19.2 -31.7 -2.5 34 34 A V E -aC 4 52A 1 18,-0.6 18,-3.2 -2,-0.4 2,-0.4 -0.879 11.2-167.5-114.8 136.4 17.6 -29.5 0.2 35 35 A Y E -aC 5 51A 31 -31,-2.2 -29,-0.9 -2,-0.4 2,-0.4 -0.900 15.1-139.5-116.5 140.6 15.9 -30.5 3.4 36 36 A G E -aC 6 50A 0 14,-3.7 14,-1.7 -2,-0.4 2,-0.5 -0.862 3.7-152.3-105.4 138.0 13.8 -28.1 5.5 37 37 A V E - C 0 49A 0 -31,-2.3 3,-0.4 -2,-0.4 -29,-0.4 -0.975 17.7-149.2-108.6 126.3 13.9 -28.1 9.3 38 38 A Y S S+ 0 0 41 10,-2.6 10,-0.2 -2,-0.5 31,-0.2 -0.728 75.1 19.1 -98.3 138.7 10.6 -26.9 10.8 39 39 A H S >> S- 0 0 69 29,-2.4 3,-0.9 -2,-0.3 4,-0.7 0.758 105.2-110.7 74.1 26.9 10.4 -25.0 14.0 40 40 A G H >> S- 0 0 0 29,-0.5 3,-0.7 -3,-0.4 4,-0.6 -0.215 84.6 -9.0 52.8-139.6 14.1 -24.0 13.9 41 41 A Y H >> S+ 0 0 12 30,-0.4 4,-1.9 1,-0.2 3,-1.0 0.832 133.2 62.0 -56.7 -39.9 16.4 -25.6 16.5 42 42 A A H <> S+ 0 0 32 -3,-0.9 4,-1.5 1,-0.3 -1,-0.2 0.826 108.6 40.1 -55.0 -40.8 13.5 -27.1 18.3 43 43 A G H <<>S+ 0 0 1 -4,-0.7 5,-3.2 -3,-0.7 -1,-0.3 0.543 105.1 68.2 -88.9 -7.2 12.4 -29.2 15.4 44 44 A L H X<5S+ 0 0 0 -3,-1.0 3,-0.8 -4,-0.6 -2,-0.2 0.935 107.6 38.7 -72.3 -48.6 16.0 -29.9 14.6 45 45 A I H 3<5S+ 0 0 18 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.1 0.874 116.1 50.8 -62.1 -47.1 16.1 -32.0 17.8 46 46 A A T 3<5S- 0 0 67 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.456 113.4-120.0 -71.3 -5.9 12.6 -33.4 17.3 47 47 A G T < 5 + 0 0 19 -3,-0.8 2,-2.1 1,-0.2 -3,-0.2 0.778 51.9 163.5 65.2 35.2 13.6 -34.4 13.8 48 48 A N < + 0 0 79 -5,-3.2 -10,-2.6 -10,-0.2 2,-0.4 -0.522 24.2 145.1 -79.0 68.1 10.9 -32.3 12.1 49 49 A I E +C 37 0A 18 -2,-2.1 2,-0.3 -12,-0.2 -12,-0.2 -0.964 23.3 173.9-117.8 125.0 12.7 -32.5 8.7 50 50 A K E -C 36 0A 64 -14,-1.7 -14,-3.7 -2,-0.4 2,-0.1 -0.955 35.5-109.4-127.8 145.2 11.1 -32.7 5.1 51 51 A K E -C 35 0A 82 -2,-0.3 2,-0.5 -16,-0.3 -16,-0.3 -0.460 29.7-140.5 -71.0 142.9 12.7 -32.6 1.7 52 52 A L E -C 34 0A 4 -18,-3.2 -18,-0.6 -2,-0.1 2,-0.3 -0.939 14.9-156.9-111.6 126.1 12.0 -29.3 -0.3 53 53 A E > - 0 0 104 -2,-0.5 3,-2.1 -20,-0.1 4,-0.4 -0.689 35.8 -96.6 -99.2 156.2 11.3 -29.7 -4.0 54 54 A V G > S+ 0 0 81 1,-0.3 3,-0.6 -2,-0.3 -29,-0.1 0.758 123.0 44.9 -41.5 -41.9 11.8 -27.0 -6.6 55 55 A G G > S+ 0 0 56 1,-0.2 3,-0.8 2,-0.2 -1,-0.3 0.405 89.9 79.5 -87.4 -6.5 8.1 -26.0 -6.5 56 56 A D G < S+ 0 0 84 -3,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.622 99.3 46.9 -74.9 -18.1 7.6 -26.0 -2.7 57 57 A V G X S+ 0 0 0 -3,-0.6 3,-0.8 -4,-0.4 4,-0.3 0.185 86.7 113.3-107.8 6.9 9.3 -22.6 -2.8 58 58 A G T < S+ 0 0 29 -3,-0.8 -3,-0.1 1,-0.2 -37,-0.0 -0.462 81.2 16.8 -77.1 145.6 7.1 -21.4 -5.7 59 59 A D T 3 S+ 0 0 131 -2,-0.2 -1,-0.2 1,-0.1 -4,-0.0 0.687 99.7 92.6 59.3 31.4 4.8 -18.6 -4.6 60 60 A I X + 0 0 12 -3,-0.8 3,-2.1 -43,-0.1 -42,-0.1 0.479 54.1 94.1-120.1 -16.2 6.5 -17.6 -1.4 61 61 A I T 3 S+ 0 0 50 -4,-0.3 -43,-0.3 1,-0.3 -42,-0.1 0.879 91.5 41.1 -48.8 -47.3 8.8 -14.8 -2.7 62 62 A H T 3 S+ 0 0 66 193,-0.1 -1,-0.3 -45,-0.1 2,-0.3 0.514 98.5 104.7 -80.3 -1.9 6.3 -12.1 -1.9 63 63 A R < - 0 0 136 -3,-2.1 -48,-0.6 192,-0.2 -46,-0.4 -0.600 60.1-136.7 -92.3 147.8 5.2 -13.5 1.5 64 64 A G + 0 0 22 -2,-0.3 191,-0.1 -50,-0.2 189,-0.1 -0.097 67.9 29.7 -80.5 179.1 6.0 -12.4 5.0 65 65 A G S S- 0 0 16 187,-0.4 -48,-0.9 189,-0.2 2,-0.4 -0.093 96.2 -73.0 61.6-164.5 6.9 -14.8 7.9 66 66 A T > - 0 0 18 -50,-0.2 3,-1.6 -49,-0.1 -1,-0.1 -0.993 20.5-149.3-132.2 126.3 8.6 -18.1 7.3 67 67 A I T 3 S+ 0 0 51 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.536 102.2 56.5 -66.5 -12.8 7.0 -21.2 5.8 68 68 A L T 3 S- 0 0 0 1,-0.2 -29,-2.4 -30,-0.1 -28,-0.4 0.451 104.8-138.9 -95.7 -5.4 9.4 -23.4 7.9 69 69 A Y < - 0 0 133 -3,-1.6 -29,-0.5 -31,-0.2 -61,-0.5 0.077 11.2-120.1 69.5 175.1 8.2 -21.7 11.1 70 70 A T + 0 0 42 -31,-0.2 2,-0.3 -32,-0.1 -61,-0.2 -0.981 26.3 179.9-153.6 149.9 10.5 -20.7 14.0 71 71 A A - 0 0 26 -63,-0.3 2,-0.6 -2,-0.3 -61,-0.5 -0.974 32.6-109.0-153.5 159.7 10.8 -21.6 17.7 72 72 A R - 0 0 164 -2,-0.3 3,-0.0 -32,-0.1 -32,-0.0 -0.874 31.2-172.5 -94.2 119.2 12.8 -20.9 20.8 73 73 A C > + 0 0 21 -2,-0.6 3,-1.4 1,-0.1 4,-0.2 -0.817 17.7 167.7-120.2 90.5 15.0 -24.0 21.7 74 74 A P T 3 S+ 0 0 100 0, 0.0 3,-0.2 0, 0.0 4,-0.1 0.438 77.7 68.6 -77.3 -1.3 16.7 -23.5 25.1 75 75 A E T 3 S+ 0 0 126 1,-0.2 6,-0.4 2,-0.1 7,-0.1 0.403 86.4 68.0 -93.3 -7.9 17.6 -27.2 25.0 76 76 A F S < S+ 0 0 9 -3,-1.4 -1,-0.2 5,-0.2 6,-0.1 0.494 85.5 68.0 -90.5 -8.1 20.0 -26.5 22.1 77 77 A K S S+ 0 0 166 -4,-0.2 -1,-0.2 -3,-0.2 2,-0.1 0.744 90.7 86.4 -76.0 -28.5 22.3 -24.6 24.4 78 78 A T S > S- 0 0 55 -4,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.444 84.6-128.8 -74.8 143.4 22.9 -28.0 26.0 79 79 A E H > S+ 0 0 131 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.962 114.1 50.7 -56.9 -55.8 25.6 -30.5 24.8 80 80 A E H > S+ 0 0 114 1,-0.2 4,-3.5 2,-0.2 -1,-0.2 0.870 109.3 53.0 -46.9 -47.9 22.9 -33.2 24.7 81 81 A G H > S+ 0 0 2 -6,-0.4 4,-2.5 1,-0.3 5,-0.3 0.923 109.9 44.9 -55.5 -57.4 20.7 -30.8 22.7 82 82 A Q H X S+ 0 0 9 -4,-2.7 4,-1.7 1,-0.2 -1,-0.3 0.754 115.5 51.9 -63.4 -24.0 23.5 -30.2 20.1 83 83 A K H X S+ 0 0 116 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.947 109.5 45.9 -72.9 -53.3 24.0 -34.0 20.2 84 84 A K H X S+ 0 0 91 -4,-3.5 4,-1.4 1,-0.2 -2,-0.2 0.843 116.8 45.8 -55.6 -41.9 20.4 -35.0 19.6 85 85 A G H X S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.879 110.6 52.8 -71.8 -42.8 20.1 -32.4 16.8 86 86 A I H X S+ 0 0 17 -4,-1.7 4,-1.6 -5,-0.3 -2,-0.2 0.832 108.8 51.7 -60.9 -33.2 23.4 -33.5 15.3 87 87 A E H X S+ 0 0 130 -4,-2.2 4,-3.3 1,-0.2 -1,-0.2 0.860 105.8 54.5 -66.9 -42.2 22.1 -37.1 15.3 88 88 A Q H X S+ 0 0 30 -4,-1.4 4,-1.3 2,-0.2 -1,-0.2 0.820 105.8 52.4 -64.0 -35.7 19.0 -36.0 13.5 89 89 A L H X>S+ 0 0 0 -4,-1.6 5,-3.0 2,-0.2 4,-0.5 0.919 113.5 42.9 -66.4 -46.4 21.0 -34.4 10.7 90 90 A K H ><5S+ 0 0 133 -4,-1.6 3,-1.0 2,-0.2 -2,-0.2 0.884 106.5 60.3 -65.2 -43.6 23.0 -37.6 10.2 91 91 A K H 3<5S+ 0 0 163 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.889 113.8 39.4 -53.0 -37.2 19.9 -39.8 10.5 92 92 A H H 3<5S- 0 0 51 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.547 114.1-118.4 -90.1 -8.6 18.7 -37.8 7.5 93 93 A G T <<5 + 0 0 31 -3,-1.0 2,-0.6 -4,-0.5 -3,-0.2 0.713 57.0 157.8 77.3 26.2 22.1 -37.7 5.7 94 94 A I < + 0 0 3 -5,-3.0 -1,-0.3 1,-0.1 -90,-0.2 -0.783 18.3 178.6 -87.8 123.8 22.2 -33.9 5.9 95 95 A Q + 0 0 68 -92,-2.5 2,-0.3 -2,-0.6 -91,-0.2 0.719 59.8 30.9 -96.6 -30.1 25.8 -32.6 5.6 96 96 A G E -b 4 0A 0 -93,-0.9 -91,-2.1 21,-0.1 2,-0.4 -0.861 62.3-148.0-130.6 163.9 25.4 -28.8 5.7 97 97 A L E -bd 5 119A 0 21,-2.2 23,-2.1 -2,-0.3 2,-0.6 -0.980 6.0-161.3-141.0 125.8 23.1 -26.2 7.2 98 98 A V E -bd 6 120A 0 -93,-2.2 -91,-1.5 -2,-0.4 2,-0.5 -0.906 17.9-167.6-100.4 127.0 21.9 -22.8 6.1 99 99 A V E -bd 7 121A 0 21,-3.2 23,-2.1 -2,-0.6 2,-0.5 -0.989 5.1-166.5-117.9 117.8 20.6 -21.0 9.2 100 100 A I E +bd 8 122A 0 -93,-2.6 -91,-1.9 -2,-0.5 2,-0.3 -0.929 46.5 71.1-100.9 121.4 18.6 -17.8 8.5 101 101 A G E S-bd 9 123A 0 21,-3.4 23,-1.7 -2,-0.5 -91,-0.2 -0.992 72.3 -36.6 169.4-164.9 18.1 -15.8 11.7 102 102 A G > - 0 0 13 -93,-0.6 4,-1.7 -2,-0.3 20,-0.1 0.113 62.0 -89.5 -77.1-169.7 19.3 -13.6 14.6 103 103 A D H > S+ 0 0 78 2,-0.2 4,-1.8 26,-0.2 5,-0.1 0.887 126.8 58.3 -74.6 -38.0 22.5 -13.5 16.6 104 104 A G H > S+ 0 0 54 1,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.918 109.5 47.2 -51.7 -43.7 21.1 -15.9 19.1 105 105 A S H >> S+ 0 0 3 1,-0.2 3,-1.1 2,-0.2 4,-1.1 0.889 104.2 57.8 -67.7 -43.2 20.7 -18.2 16.1 106 106 A Y H 3X S+ 0 0 2 -4,-1.7 4,-1.8 1,-0.3 -1,-0.2 0.835 98.4 63.5 -59.7 -32.8 24.2 -17.6 14.8 107 107 A Q H 3X S+ 0 0 100 -4,-1.8 4,-1.8 1,-0.2 -1,-0.3 0.784 103.6 46.8 -59.1 -33.6 25.5 -18.9 18.1 108 108 A G H X S+ 0 0 21 -4,-1.8 4,-2.0 2,-0.2 3,-0.9 0.956 108.1 50.1 -64.5 -57.3 28.8 -21.9 15.6 111 111 A K H 3X S+ 0 0 80 -4,-1.8 4,-1.1 1,-0.3 -1,-0.2 0.760 109.9 55.5 -54.1 -31.9 28.3 -24.7 18.1 112 112 A L H 3<>S+ 0 0 0 -4,-1.2 5,-3.3 2,-0.2 -1,-0.3 0.814 106.3 46.1 -74.5 -35.7 27.3 -26.9 15.2 113 113 A T H X<5S+ 0 0 35 -4,-1.2 3,-3.2 -3,-0.9 -2,-0.2 0.900 106.8 59.6 -71.5 -43.3 30.5 -26.3 13.1 114 114 A E H 3<5S+ 0 0 124 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.857 108.4 45.9 -52.8 -40.2 32.6 -26.9 16.3 115 115 A H T 3<5S- 0 0 88 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.192 135.1 -91.5 -91.4 19.5 31.0 -30.4 16.4 116 116 A G T < 5S+ 0 0 55 -3,-3.2 -3,-0.3 1,-0.2 -2,-0.2 0.450 85.1 126.1 92.3 3.7 31.6 -30.8 12.7 117 117 A F < - 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