==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-NOV-12 4I4I . COMPND 2 MOLECULE: 6-PHOSPHOFRUCTOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR R.MOSSER,M.REDDY,J.B.BRUNING,J.C.SACCHETTINI,G.D.REINHART . 1276 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40160.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 960 75.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 163 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 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 . 8 0.6 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 . 72 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 146 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 446 35.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 2.2 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 1 2 4 1 0 0 9 0 7 6 6 0 0 0 4 3 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 7 4 4 8 8 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 . 2 0 3 1 0 4 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 . 3 0 0 0 0 4 2 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 32,-0.1 0.000 360.0 360.0 360.0 124.5 -40.0 -48.3 -4.1 2 2 A K + 0 0 67 1,-0.3 31,-2.7 91,-0.1 2,-0.3 0.785 360.0 21.7 -82.0 -28.2 -40.4 -49.9 -0.7 3 3 A R E +a 33 0A 56 29,-0.2 92,-2.1 90,-0.2 93,-0.6 -0.999 61.1 178.8-150.2 134.7 -37.1 -48.5 0.6 4 4 A I E -ab 34 96A 0 29,-2.7 31,-2.7 -2,-0.3 2,-0.3 -0.896 16.0-137.9-130.2 165.4 -34.7 -45.7 -0.1 5 5 A G E -ab 35 97A 0 91,-3.3 93,-2.9 -2,-0.3 2,-0.3 -0.843 8.9-161.4-120.7 162.4 -31.4 -44.3 1.3 6 6 A V E +ab 36 98A 0 29,-1.9 31,-2.3 -2,-0.3 2,-0.3 -0.999 14.2 167.4-144.2 137.7 -30.0 -40.9 2.1 7 7 A L E - b 0 99A 0 91,-2.4 93,-3.1 -2,-0.3 2,-0.4 -0.965 27.5-128.5-147.2 162.9 -26.5 -39.7 2.7 8 8 A T E + b 0 100A 0 61,-0.6 2,-0.3 29,-0.5 32,-0.3 -0.957 25.7 178.7-117.9 136.9 -24.3 -36.5 2.9 9 9 A S E + b 0 101A 11 91,-2.0 93,-0.9 -2,-0.4 96,-0.2 -0.981 42.9 18.2-138.2 143.0 -21.1 -36.0 0.9 10 10 A G S S- 0 0 29 61,-1.0 61,-0.1 -2,-0.3 3,-0.1 -0.461 103.3 -10.3 95.2-170.2 -18.6 -33.2 0.7 11 11 A G S S- 0 0 29 -2,-0.1 -2,-0.1 1,-0.1 1106,-0.1 -0.313 82.3 -94.9 -61.8 144.7 -18.0 -30.3 3.1 12 12 A D - 0 0 8 1104,-0.5 114,-0.3 113,-0.1 -1,-0.1 -0.270 43.3-168.0 -57.1 144.9 -20.5 -29.7 5.9 13 13 A S > - 0 0 0 52,-0.1 3,-2.0 112,-0.1 4,-0.3 -0.996 28.6-108.0-140.0 134.5 -23.3 -27.2 5.2 14 14 A P T 3 S+ 0 0 0 0, 0.0 127,-0.2 0, 0.0 50,-0.1 -0.443 107.8 33.4 -60.9 127.4 -25.8 -25.5 7.5 15 15 A G T 3> S+ 0 0 0 48,-0.4 4,-2.0 50,-0.2 5,-0.2 0.281 76.6 116.1 106.7 -7.4 -29.2 -27.1 6.7 16 16 A M H <> S+ 0 0 0 -3,-2.0 4,-2.3 49,-0.3 50,-0.1 0.879 80.6 51.5 -57.4 -37.6 -28.0 -30.6 5.8 17 17 A N H > S+ 0 0 3 48,-0.6 4,-3.0 46,-0.4 -1,-0.2 0.859 106.5 52.6 -68.3 -36.2 -30.0 -31.8 8.8 18 18 A A H > S+ 0 0 0 43,-0.3 4,-2.3 45,-0.2 -1,-0.2 0.880 111.7 47.0 -62.0 -40.1 -33.1 -30.0 7.6 19 19 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.883 112.2 49.6 -71.7 -38.2 -32.7 -31.7 4.2 20 20 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.954 110.5 50.3 -61.3 -50.4 -32.2 -35.1 5.9 21 21 A R H X S+ 0 0 6 -4,-3.0 4,-2.9 1,-0.2 5,-0.3 0.937 110.9 50.6 -50.5 -49.7 -35.3 -34.5 8.1 22 22 A S H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.897 109.3 48.8 -60.0 -46.0 -37.2 -33.7 4.9 23 23 A V H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 5,-0.3 0.944 115.3 45.1 -59.1 -48.4 -36.1 -36.8 3.0 24 24 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.941 117.7 42.3 -61.3 -49.3 -37.0 -39.0 6.0 25 25 A R H X S+ 0 0 4 -4,-2.9 4,-2.3 -5,-0.2 -2,-0.2 0.856 112.9 51.1 -69.6 -39.9 -40.3 -37.4 6.7 26 26 A K H X S+ 0 0 4 -4,-2.6 4,-1.6 -5,-0.3 6,-0.2 0.962 114.3 44.2 -62.9 -51.4 -41.5 -37.1 3.1 27 27 A A H <>S+ 0 0 0 -4,-1.9 5,-2.5 -5,-0.3 3,-0.5 0.937 113.7 49.1 -58.1 -49.0 -40.8 -40.7 2.4 28 28 A I H ><5S+ 0 0 45 -4,-2.4 3,-1.9 -5,-0.3 -1,-0.2 0.903 105.4 60.3 -61.9 -35.9 -42.3 -42.0 5.6 29 29 A Y H 3<5S+ 0 0 112 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.890 107.8 44.2 -54.0 -42.2 -45.4 -39.8 4.8 30 30 A H T 3<5S- 0 0 90 -4,-1.6 -1,-0.3 -3,-0.5 -2,-0.2 0.215 125.3-101.8 -90.5 15.8 -45.8 -41.8 1.6 31 31 A G T < 5S+ 0 0 69 -3,-1.9 2,-0.2 1,-0.3 -3,-0.2 0.549 77.4 136.9 81.5 7.7 -45.2 -45.2 3.4 32 32 A V < - 0 0 11 -5,-2.5 2,-0.3 -6,-0.2 -1,-0.3 -0.590 51.7-124.1 -87.8 145.9 -41.6 -45.6 2.2 33 33 A E E -a 3 0A 63 -31,-2.7 -29,-2.7 -2,-0.2 2,-0.5 -0.670 22.1-152.2 -86.8 147.1 -38.8 -46.8 4.4 34 34 A V E -a 4 0A 0 18,-0.5 18,-3.2 -2,-0.3 2,-0.5 -0.973 7.3-165.9-127.4 127.8 -35.7 -44.7 4.8 35 35 A Y E -aC 5 51A 39 -31,-2.7 -29,-1.9 -2,-0.5 2,-0.4 -0.905 17.2-133.7-111.2 131.9 -32.2 -45.9 5.6 36 36 A G E -aC 6 50A 0 14,-3.2 14,-2.1 -2,-0.5 2,-0.6 -0.703 9.6-156.3 -83.0 129.4 -29.3 -43.6 6.7 37 37 A V E > - C 0 49A 0 -31,-2.3 3,-0.5 -2,-0.4 -29,-0.5 -0.939 19.7-150.1-103.0 114.6 -26.0 -44.1 5.0 38 38 A Y T 3 + 0 0 42 10,-2.7 10,-0.2 -2,-0.6 31,-0.2 -0.601 68.8 17.9 -91.3 148.0 -23.3 -42.8 7.4 39 39 A H T >> S- 0 0 64 29,-3.0 4,-1.8 -2,-0.2 3,-0.8 0.863 106.4-104.6 62.6 39.1 -20.0 -41.2 6.4 40 40 A G H <> S- 0 0 0 29,-1.0 4,-1.7 -3,-0.5 3,-0.4 0.014 81.9 -13.8 52.2-148.4 -21.0 -40.6 2.8 41 41 A Y H 3> S+ 0 0 11 30,-0.3 4,-2.0 1,-0.3 -1,-0.2 0.761 137.0 57.0 -59.6 -28.9 -19.9 -42.8 -0.1 42 42 A A H <> S+ 0 0 36 -3,-0.8 4,-2.1 2,-0.2 -1,-0.3 0.898 108.2 47.2 -65.8 -40.4 -17.1 -44.3 2.1 43 43 A G H <>S+ 0 0 3 -4,-1.8 5,-3.4 -3,-0.4 4,-0.4 0.804 109.2 54.5 -71.7 -29.5 -19.8 -45.4 4.5 44 44 A L H ><5S+ 0 0 0 -4,-1.7 3,-0.9 3,-0.2 -1,-0.2 0.925 109.4 46.3 -67.9 -47.2 -21.9 -46.8 1.7 45 45 A I H 3<5S+ 0 0 25 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.898 114.4 49.4 -59.8 -40.2 -19.0 -48.9 0.5 46 46 A A T 3<5S- 0 0 74 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.528 113.0-120.1 -78.5 -7.0 -18.4 -50.0 4.1 47 47 A G T < 5 + 0 0 18 -3,-0.9 2,-1.7 -4,-0.4 -3,-0.2 0.787 53.4 161.2 71.0 27.4 -22.1 -50.8 4.5 48 48 A N < + 0 0 67 -5,-3.4 -10,-2.7 -10,-0.2 2,-0.4 -0.594 25.1 141.8 -81.3 83.2 -22.4 -48.3 7.4 49 49 A I E +C 37 0A 19 -2,-1.7 2,-0.3 -12,-0.2 -12,-0.2 -0.983 25.0 171.4-140.2 119.0 -26.2 -48.3 7.0 50 50 A K E -C 36 0A 131 -14,-2.1 -14,-3.2 -2,-0.4 2,-0.1 -0.978 38.2-102.0-133.2 146.1 -29.0 -48.0 9.6 51 51 A K E -C 35 0A 62 -2,-0.3 2,-0.6 -16,-0.3 -16,-0.3 -0.392 30.8-141.8 -65.0 136.8 -32.8 -47.6 9.4 52 52 A L - 0 0 2 -18,-3.2 -18,-0.5 -2,-0.1 2,-0.1 -0.914 15.5-154.4-102.6 115.6 -34.0 -44.0 10.2 53 53 A E > - 0 0 97 -2,-0.6 3,-1.6 1,-0.1 4,-0.4 -0.417 33.3-100.5 -82.1 164.4 -37.2 -43.9 12.1 54 54 A V T 3 S+ 0 0 30 1,-0.3 3,-0.5 2,-0.2 -1,-0.1 0.785 124.9 46.2 -57.2 -29.0 -39.7 -41.0 12.1 55 55 A G T > S+ 0 0 37 1,-0.2 3,-1.5 2,-0.1 -1,-0.3 0.558 89.6 81.0 -92.8 -9.8 -38.3 -39.8 15.4 56 56 A D T < S+ 0 0 66 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.587 95.8 49.8 -69.8 -9.5 -34.6 -40.2 14.5 57 57 A V T > S+ 0 0 0 -3,-0.5 3,-0.7 -4,-0.4 4,-0.3 0.097 82.5 119.1-116.8 18.3 -35.0 -36.8 12.8 58 58 A G T < S+ 0 0 30 -3,-1.5 -3,-0.1 1,-0.2 475,-0.0 -0.628 79.3 13.2 -76.3 143.2 -36.6 -35.0 15.7 59 59 A D T 3 S+ 0 0 41 -2,-0.3 -1,-0.2 1,-0.1 -4,-0.0 0.865 102.5 93.9 55.3 42.9 -34.7 -32.0 17.0 60 60 A I X + 0 0 10 -3,-0.7 3,-1.7 -43,-0.1 -43,-0.1 0.458 54.5 87.4-126.8 -12.3 -32.3 -31.8 14.1 61 61 A I T 3 S+ 0 0 1 -4,-0.3 -43,-0.3 1,-0.3 444,-0.1 0.815 98.6 38.5 -59.7 -31.0 -34.0 -29.3 11.8 62 62 A H T 3 S+ 0 0 6 -45,-0.1 2,-0.4 442,-0.1 -1,-0.3 0.298 98.0 101.2-101.9 4.6 -32.3 -26.4 13.6 63 63 A R < - 0 0 54 -3,-1.7 -46,-0.4 192,-0.1 -48,-0.4 -0.774 66.0-132.4 -96.9 136.4 -28.9 -28.1 14.1 64 64 A G S S+ 0 0 6 -2,-0.4 191,-0.1 -50,-0.1 2,-0.1 -0.234 70.0 29.6 -71.2 172.1 -25.9 -27.4 12.0 65 65 A G S S- 0 0 3 187,-0.3 -48,-0.6 189,-0.3 2,-0.3 -0.437 95.3 -72.5 78.4-152.0 -23.7 -30.1 10.5 66 66 A T > - 0 0 14 1049,-0.2 3,-1.5 -50,-0.1 4,-0.1 -0.916 17.1-149.9-151.7 122.9 -25.1 -33.6 9.6 67 67 A I T 3 S+ 0 0 57 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.583 103.0 53.9 -66.5 -8.2 -26.2 -36.4 11.8 68 68 A L T 3 S- 0 0 0 -30,-0.1 -29,-3.0 1,-0.0 -28,-0.4 0.552 101.6-141.5-100.0 -10.1 -25.1 -38.8 9.0 69 69 A Y < - 0 0 87 -3,-1.5 -29,-1.0 -31,-0.2 -61,-0.6 0.278 9.1-122.5 64.3 162.9 -21.5 -37.5 8.6 70 70 A T + 0 0 5 -31,-0.3 1049,-0.4 -32,-0.1 2,-0.3 -0.633 23.8 179.7-121.6-172.9 -19.5 -37.0 5.4 71 71 A A - 0 0 16 -2,-0.2 -61,-1.0 -63,-0.1 2,-0.6 -0.948 33.4-108.1-172.4 166.6 -16.3 -38.2 3.9 72 72 A R - 0 0 171 -2,-0.3 3,-0.1 -63,-0.1 -63,-0.0 -0.973 34.4-178.2-104.0 123.3 -14.2 -38.0 0.8 73 73 A C > + 0 0 24 -2,-0.6 3,-0.5 1,-0.1 4,-0.2 -0.830 18.7 166.7-127.1 96.3 -14.3 -41.2 -1.1 74 74 A P G > S+ 0 0 79 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.739 78.4 71.9 -68.4 -28.1 -12.1 -41.3 -4.2 75 75 A E G > S+ 0 0 110 1,-0.3 3,-1.3 2,-0.2 6,-0.6 0.832 89.0 59.3 -58.9 -34.1 -12.6 -45.0 -4.2 76 76 A F G < S+ 0 0 13 -3,-0.5 -1,-0.3 1,-0.3 6,-0.1 0.695 92.4 67.8 -70.1 -18.3 -16.2 -44.4 -5.2 77 77 A K G < S+ 0 0 91 -3,-1.5 2,-0.4 -4,-0.2 -1,-0.3 0.152 93.6 78.8 -84.3 18.2 -14.8 -42.7 -8.3 78 78 A T S X> S- 0 0 66 -3,-1.3 4,-2.5 1,-0.1 3,-1.4 -0.978 88.2-121.2-129.0 143.7 -13.6 -46.1 -9.4 79 79 A E H 3> S+ 0 0 89 -2,-0.4 4,-0.7 1,-0.3 -1,-0.1 0.815 115.3 52.7 -49.4 -37.6 -15.5 -49.0 -11.0 80 80 A E H 3> S+ 0 0 75 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.788 111.2 47.5 -71.8 -27.5 -14.6 -51.3 -8.1 81 81 A G H <> S+ 0 0 0 -3,-1.4 4,-1.2 -6,-0.6 -2,-0.2 0.881 108.8 51.7 -77.8 -42.0 -15.9 -48.7 -5.6 82 82 A Q H X S+ 0 0 9 -4,-2.5 4,-1.2 -7,-0.3 -2,-0.2 0.657 110.6 54.8 -65.8 -15.4 -19.1 -48.2 -7.6 83 83 A K H X S+ 0 0 56 -4,-0.7 4,-2.2 -5,-0.3 -2,-0.2 0.900 105.2 46.0 -85.1 -46.6 -19.5 -52.0 -7.4 84 84 A K H X S+ 0 0 37 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.717 113.8 52.5 -71.1 -21.0 -19.2 -52.5 -3.6 85 85 A G H X S+ 0 0 0 -4,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.924 107.8 48.1 -79.6 -49.0 -21.6 -49.7 -3.1 86 86 A I H X S+ 0 0 27 -4,-1.2 4,-2.3 1,-0.2 -2,-0.2 0.898 113.7 51.0 -52.1 -42.6 -24.2 -51.2 -5.5 87 87 A E H X S+ 0 0 59 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.908 108.5 48.9 -63.5 -45.3 -23.7 -54.4 -3.6 88 88 A Q H X S+ 0 0 47 -4,-1.7 4,-1.0 2,-0.2 -1,-0.2 0.832 111.6 50.8 -67.1 -32.9 -24.2 -52.9 -0.1 89 89 A L H >X>S+ 0 0 0 -4,-2.2 5,-2.5 2,-0.2 3,-0.6 0.952 111.6 45.5 -66.5 -52.7 -27.4 -51.2 -1.3 90 90 A K H ><5S+ 0 0 69 -4,-2.3 3,-1.1 1,-0.3 -2,-0.2 0.894 108.8 57.5 -59.8 -40.6 -28.9 -54.4 -2.8 91 91 A K H 3<5S+ 0 0 157 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.841 112.4 42.3 -54.3 -34.2 -27.8 -56.2 0.4 92 92 A H H <<5S- 0 0 36 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.421 113.1-117.7 -97.9 1.1 -29.9 -53.7 2.3 93 93 A G T <<5 + 0 0 32 -3,-1.1 2,-0.6 -4,-0.5 -3,-0.2 0.745 59.3 156.1 71.5 22.3 -32.9 -53.7 -0.1 94 94 A I < + 0 0 2 -5,-2.5 -1,-0.3 1,-0.1 -90,-0.2 -0.749 18.9 177.3 -87.8 120.5 -32.2 -50.0 -0.9 95 95 A E + 0 0 77 -92,-2.1 2,-0.3 -2,-0.6 -91,-0.2 0.659 62.4 24.1-101.4 -20.4 -33.7 -49.2 -4.3 96 96 A G E -b 4 0A 0 -93,-0.6 -91,-3.3 21,-0.1 2,-0.4 -0.995 63.5-146.7-149.2 153.0 -33.0 -45.5 -4.5 97 97 A L E -bd 5 119A 2 21,-2.2 23,-2.2 -2,-0.3 2,-0.6 -0.963 5.4-156.6-127.3 132.4 -30.6 -42.9 -3.0 98 98 A V E -bd 6 120A 0 -93,-2.9 -91,-2.4 -2,-0.4 2,-0.6 -0.937 18.3-161.7 -99.7 117.4 -30.8 -39.2 -2.1 99 99 A V E -bd 7 121A 0 21,-2.5 23,-3.3 -2,-0.6 2,-0.6 -0.891 4.1-168.0-102.9 116.4 -27.4 -37.6 -2.1 100 100 A I E +bd 8 122A 0 -93,-3.1 -91,-2.0 -2,-0.6 2,-0.3 -0.904 44.0 71.5-105.3 117.0 -27.1 -34.3 -0.2 101 101 A G E S-bd 9 123A 0 21,-2.4 23,-3.1 -2,-0.6 -91,-0.2 -0.973 73.1 -39.4 172.3-163.7 -23.8 -32.5 -0.9 102 102 A G > - 0 0 12 -93,-0.9 4,-0.7 -2,-0.3 3,-0.3 -0.017 68.5 -78.6 -83.9-172.5 -21.6 -30.4 -3.2 103 103 A D H >> S+ 0 0 48 1,-0.2 3,-1.0 2,-0.2 4,-0.6 0.884 128.6 59.1 -55.1 -39.6 -20.8 -30.6 -7.0 104 104 A G H >> S+ 0 0 61 1,-0.2 3,-1.4 2,-0.2 4,-0.6 0.908 97.7 57.4 -54.9 -47.7 -18.5 -33.4 -6.2 105 105 A S H 3> S+ 0 0 3 -3,-0.3 4,-0.9 1,-0.3 -1,-0.2 0.698 93.5 69.9 -59.2 -21.8 -21.2 -35.6 -4.7 106 106 A Y H X S+ 0 0 55 -4,-2.4 4,-2.0 2,-0.2 3,-0.7 0.975 113.7 42.4 -54.4 -63.0 -24.8 -39.9 -12.1 111 111 A K H 3X S+ 0 0 110 -4,-2.1 4,-1.9 1,-0.2 6,-0.2 0.928 108.7 60.2 -49.6 -52.3 -22.8 -43.2 -12.2 112 112 A L H 3<>S+ 0 0 4 -4,-2.0 5,-2.1 1,-0.2 -1,-0.2 0.822 108.1 43.8 -50.1 -39.6 -25.2 -44.9 -9.7 113 113 A T H X<5S+ 0 0 34 -4,-1.6 3,-2.5 -3,-0.7 -1,-0.2 0.872 107.1 59.4 -74.6 -38.1 -28.2 -44.3 -12.0 114 114 A E H 3<5S+ 0 0 113 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.838 106.0 50.3 -56.8 -32.0 -26.2 -45.4 -15.1 115 115 A H T 3<5S- 0 0 119 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.105 134.3 -93.2 -94.1 22.1 -25.7 -48.7 -13.3 116 116 A G T < 5S+ 0 0 58 -3,-2.5 -3,-0.2 1,-0.2 -2,-0.2 0.764 88.8 120.6 77.3 29.3 -29.5 -48.9 -12.6 117 117 A F < - 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