==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-OCT-11 3U39 . COMPND 2 MOLECULE: 6-PHOSPHOFRUCTOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR R.MOSSER,M.C.M.REDDY,J.B.BRUNING,J.C.SACCHETTINI,G.D.REINHAR . 1275 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42520.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 966 75.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 158 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 3.5 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 . 4 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 0.1 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 . 79 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 153 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 452 35.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 32 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 4 0 0 4 0 10 2 1 3 6 6 0 0 0 0 4 0 0 4 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 4 3 12 5 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 4 0 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 . 0 0 4 0 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 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 77 0, 0.0 3,-0.1 0, 0.0 93,-0.1 0.000 360.0 360.0 360.0 152.8 19.3 -10.2 50.6 2 2 A K + 0 0 58 1,-0.3 31,-3.4 30,-0.1 2,-0.4 0.596 360.0 35.7-119.4 -35.1 17.6 -6.9 51.0 3 3 A R E +a 33 0A 56 29,-0.2 92,-2.5 90,-0.2 -1,-0.3 -0.982 65.3 167.8-124.7 134.7 20.6 -4.6 50.5 4 4 A I E -a 34 0A 0 29,-2.2 31,-2.4 -2,-0.4 2,-0.3 -0.870 20.4-131.8-134.2 170.2 23.6 -5.0 48.2 5 5 A G E -ab 35 97A 0 91,-2.9 93,-2.5 -2,-0.3 2,-0.3 -0.792 8.6-159.0-123.5 164.6 26.5 -3.0 46.8 6 6 A V E +ab 36 98A 0 29,-1.9 31,-2.3 -2,-0.3 2,-0.3 -0.998 15.0 164.4-145.9 146.8 28.1 -2.2 43.5 7 7 A L E - b 0 99A 0 91,-1.8 93,-2.8 -2,-0.3 2,-0.4 -0.973 25.2-137.3-157.9 155.0 31.5 -0.9 42.6 8 8 A T E + b 0 100A 0 29,-0.4 32,-0.3 61,-0.4 63,-0.3 -0.991 24.8 180.0-127.3 127.1 33.9 -0.6 39.5 9 9 A S E + b 0 101A 13 91,-1.5 93,-0.5 -2,-0.4 115,-0.1 -0.773 41.3 17.1-124.4 167.2 37.6 -1.3 39.6 10 10 A G S S+ 0 0 21 -2,-0.3 93,-0.1 61,-0.2 115,-0.1 -0.266 104.9 0.8 69.1-160.7 40.6 -1.3 37.3 11 11 A G S S- 0 0 22 1,-0.1 91,-0.4 113,-0.1 -2,-0.1 -0.175 80.5 -98.6 -62.8 150.2 40.6 0.5 34.0 12 12 A D - 0 0 1 89,-0.1 114,-0.3 58,-0.1 -1,-0.1 -0.200 42.0-171.5 -57.4 154.7 37.7 2.5 32.6 13 13 A S > - 0 0 0 112,-0.1 3,-2.3 1101,-0.1 4,-0.3 -0.860 28.3-114.3-161.1 123.4 35.4 0.8 30.1 14 14 A P T 3 S+ 0 0 0 0, 0.0 127,-0.2 0, 0.0 50,-0.2 -0.354 104.8 31.9 -60.3 119.6 32.5 2.0 27.8 15 15 A G T >> S+ 0 0 0 48,-0.5 4,-2.2 50,-0.4 3,-0.5 0.078 79.9 110.7 121.1 -20.4 29.3 0.2 29.1 16 16 A M H <> S+ 0 0 2 -3,-2.3 4,-3.1 1,-0.3 5,-0.2 0.914 80.1 53.8 -50.3 -45.7 30.2 -0.0 32.8 17 17 A N H 3> S+ 0 0 1 48,-0.9 4,-3.3 46,-0.4 -1,-0.3 0.867 106.1 52.1 -57.4 -37.3 27.4 2.5 33.4 18 18 A A H <> S+ 0 0 0 -3,-0.5 4,-2.2 43,-0.2 -1,-0.2 0.891 110.5 49.1 -66.6 -36.7 25.0 0.3 31.5 19 19 A A H X S+ 0 0 0 -4,-2.2 4,-3.2 2,-0.2 -2,-0.2 0.962 113.3 45.8 -62.5 -52.6 26.2 -2.5 33.8 20 20 A I H X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.908 111.3 52.1 -57.6 -48.6 25.6 -0.3 36.9 21 21 A R H X S+ 0 0 14 -4,-3.3 4,-3.2 2,-0.2 5,-0.2 0.919 113.8 44.9 -50.4 -47.7 22.3 0.8 35.7 22 22 A S H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 5,-0.3 0.911 109.4 53.3 -69.6 -44.1 21.3 -2.8 35.2 23 23 A V H X S+ 0 0 0 -4,-3.2 4,-1.8 2,-0.2 -1,-0.2 0.948 116.7 42.0 -50.5 -49.6 22.6 -4.0 38.5 24 24 A V H X S+ 0 0 2 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.981 115.0 45.1 -65.2 -59.7 20.5 -1.2 40.1 25 25 A R H X S+ 0 0 54 -4,-3.2 4,-1.6 1,-0.2 -1,-0.2 0.798 113.1 52.2 -61.3 -28.4 17.3 -1.5 38.2 26 26 A K H X S+ 0 0 0 -4,-2.3 4,-1.1 -5,-0.2 -1,-0.2 0.951 108.0 50.8 -67.8 -50.4 17.3 -5.3 38.4 27 27 A A H ><>S+ 0 0 0 -4,-1.8 5,-2.7 -5,-0.3 3,-1.0 0.920 107.5 54.5 -53.4 -45.6 17.7 -5.2 42.2 28 28 A I H ><5S+ 0 0 82 -4,-2.4 3,-2.6 1,-0.3 -1,-0.2 0.926 100.3 59.4 -54.2 -47.3 14.8 -2.7 42.4 29 29 A Y H 3<5S+ 0 0 134 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.791 109.8 44.5 -51.2 -30.6 12.5 -5.2 40.5 30 30 A H T <<5S- 0 0 88 -4,-1.1 -1,-0.3 -3,-1.0 -2,-0.2 0.242 121.9-105.2-102.1 11.2 13.1 -7.7 43.3 31 31 A G T < 5S+ 0 0 66 -3,-2.6 2,-0.4 1,-0.2 -3,-0.2 0.742 74.3 140.2 73.8 24.3 12.7 -5.2 46.1 32 32 A V < - 0 0 8 -5,-2.7 -1,-0.2 -6,-0.2 -29,-0.2 -0.830 47.8-130.6-103.0 138.4 16.4 -5.0 46.9 33 33 A E E -a 3 0A 67 -31,-3.4 -29,-2.2 -2,-0.4 2,-0.4 -0.491 18.3-151.8 -78.5 152.8 18.3 -1.8 47.8 34 34 A V E -a 4 0A 5 18,-0.5 18,-3.1 -31,-0.2 2,-0.4 -0.992 6.8-165.3-131.3 130.2 21.5 -0.9 46.0 35 35 A Y E -aC 5 51A 34 -31,-2.4 -29,-1.9 -2,-0.4 2,-0.3 -0.927 16.3-135.2-112.6 133.7 24.4 1.2 47.4 36 36 A G E -aC 6 50A 0 14,-2.9 14,-1.9 -2,-0.4 2,-0.5 -0.683 8.4-155.3 -85.8 138.3 27.2 2.6 45.3 37 37 A V E - C 0 49A 0 -31,-2.3 3,-0.4 -2,-0.3 -29,-0.4 -0.977 19.8-145.9-111.3 123.0 30.8 2.4 46.4 38 38 A Y + 0 0 49 10,-2.4 10,-0.3 -2,-0.5 31,-0.2 -0.683 67.5 17.0 -99.7 143.0 32.8 5.2 44.8 39 39 A H S > S- 0 0 37 29,-2.8 4,-1.6 -2,-0.3 3,-0.4 0.868 105.3 -95.2 70.9 40.7 36.4 5.0 43.7 40 40 A G H >> S- 0 0 0 29,-0.5 4,-1.9 -3,-0.4 3,-0.6 -0.052 85.0 -22.0 58.1-153.6 36.9 1.2 43.5 41 41 A Y H 3> S+ 0 0 11 30,-0.4 4,-3.1 1,-0.3 5,-0.3 0.870 136.7 62.6 -59.9 -35.4 38.3 -0.8 46.4 42 42 A A H 3> S+ 0 0 31 29,-0.7 4,-1.8 -3,-0.4 -1,-0.3 0.886 105.6 47.1 -53.7 -41.6 40.0 2.4 47.6 43 43 A G H S+ 0 0 1 -4,-1.6 4,-2.5 -3,-0.6 5,-1.6 0.916 109.2 53.3 -63.4 -46.0 36.5 3.8 48.1 44 44 A L H <5S+ 0 0 0 -4,-1.9 3,-0.3 1,-0.2 -2,-0.2 0.948 111.5 44.8 -57.6 -52.3 35.4 0.6 49.8 45 45 A I H <5S+ 0 0 13 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.904 116.6 49.7 -51.4 -42.7 38.2 0.8 52.3 46 46 A A H <5S- 0 0 61 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.745 111.4-115.7 -76.1 -29.5 37.4 4.5 52.7 47 47 A G T <5 + 0 0 20 -4,-2.5 2,-2.4 -3,-0.3 -3,-0.2 0.551 54.2 157.9 102.5 9.6 33.7 4.3 53.2 48 48 A N < + 0 0 71 -5,-1.6 -10,-2.4 -10,-0.3 2,-0.5 -0.404 25.5 142.6 -64.1 75.5 32.5 6.1 50.1 49 49 A I E +C 37 0A 20 -2,-2.4 2,-0.4 -12,-0.2 -12,-0.2 -0.969 19.5 162.3-131.2 124.3 29.1 4.5 50.1 50 50 A K E -C 36 0A 74 -14,-1.9 -14,-2.9 -2,-0.5 -2,-0.0 -0.997 42.3-107.5-138.5 133.2 25.8 6.1 49.2 51 51 A K E -C 35 0A 77 -2,-0.4 2,-0.4 -16,-0.3 -16,-0.3 -0.252 34.0-134.9 -47.7 141.8 22.5 4.5 48.4 52 52 A L - 0 0 6 -18,-3.1 -18,-0.5 -28,-0.0 2,-0.2 -0.883 18.7-152.6 -98.3 139.7 21.7 4.7 44.7 53 53 A E > - 0 0 86 -2,-0.4 3,-2.0 -20,-0.1 4,-0.4 -0.649 31.8-101.4-105.2 168.4 18.2 5.8 43.7 54 54 A V G > S+ 0 0 77 1,-0.3 3,-1.4 -2,-0.2 -29,-0.1 0.885 121.8 57.9 -51.7 -40.1 16.2 5.0 40.6 55 55 A G G 3 S+ 0 0 61 1,-0.3 -1,-0.3 2,-0.2 3,-0.2 0.479 92.2 68.0 -75.7 -2.9 16.9 8.5 39.3 56 56 A D G < S+ 0 0 76 -3,-2.0 -1,-0.3 1,-0.2 4,-0.2 0.565 105.6 40.7 -91.7 -10.3 20.7 7.9 39.5 57 57 A V S < S+ 0 0 0 -3,-1.4 4,-0.3 -4,-0.4 -1,-0.2 0.155 84.6 112.5-114.9 16.2 20.6 5.4 36.7 58 58 A G S S+ 0 0 34 -3,-0.2 -2,-0.1 2,-0.1 -1,-0.1 0.805 90.5 8.3 -64.8 -39.8 18.1 7.5 34.8 59 59 A D S S+ 0 0 59 -4,-0.2 2,-0.5 -3,-0.1 -2,-0.1 0.783 95.5 96.6 -64.2-100.3 20.4 8.3 32.0 60 60 A I > + 0 0 5 -4,-0.2 3,-1.9 1,-0.1 -42,-0.1 -0.599 46.3 96.0-119.1 16.9 23.2 6.8 32.0 61 61 A I T 3 S+ 0 0 2 -2,-0.5 -43,-0.2 -4,-0.3 -1,-0.1 0.705 94.4 46.7 -61.7 -21.4 23.0 3.8 29.7 62 62 A H T 3 S+ 0 0 46 -45,-0.1 2,-0.4 193,-0.1 -1,-0.3 0.497 91.3 103.5 -99.1 -7.0 24.6 5.7 26.9 63 63 A R < - 0 0 77 -3,-1.9 -48,-0.5 192,-0.2 -46,-0.4 -0.639 60.9-141.2 -90.1 131.2 27.4 7.3 28.9 64 64 A G + 0 0 7 -2,-0.4 191,-0.1 -50,-0.2 189,-0.1 -0.056 67.6 35.4 -68.7-177.7 31.0 6.1 28.7 65 65 A G S S- 0 0 2 187,-0.4 -48,-0.9 189,-0.2 2,-0.4 -0.166 97.1 -74.0 66.6-163.6 33.2 5.9 31.8 66 66 A T > - 0 0 5 1048,-0.4 3,-1.8 -50,-0.1 -1,-0.1 -0.979 20.5-152.9-135.9 125.5 31.8 5.0 35.2 67 67 A I T 3 S+ 0 0 31 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.663 101.6 57.6 -69.1 -13.5 29.7 7.2 37.5 68 68 A L T 3 S- 0 0 0 1,-0.2 -29,-2.8 -30,-0.1 -28,-0.4 0.482 103.8-143.7 -90.5 -2.0 31.1 5.3 40.5 69 69 A Y < - 0 0 78 -3,-1.8 -29,-0.5 -31,-0.2 -61,-0.4 -0.084 10.2-126.4 60.8-169.7 34.6 6.3 39.4 70 70 A T + 0 0 4 1048,-1.4 2,-0.3 -31,-0.2 -61,-0.2 -0.939 26.1 173.6-171.2 144.6 37.5 3.8 39.9 71 71 A A - 0 0 31 -63,-0.3 -29,-0.7 -2,-0.3 -30,-0.4 -0.981 32.6 -99.4-164.0 150.3 40.9 3.8 41.6 72 72 A R - 0 0 177 -2,-0.3 3,-0.1 -31,-0.1 -2,-0.0 -0.225 27.5-164.6 -69.6 158.4 43.8 1.7 42.5 73 73 A C > + 0 0 26 1,-0.1 3,-1.2 -32,-0.1 4,-0.4 -0.606 19.5 173.0-149.4 83.7 44.3 0.3 46.0 74 74 A P G >> S+ 0 0 107 0, 0.0 3,-2.1 0, 0.0 4,-0.5 0.937 85.8 62.8 -49.7 -45.3 47.6 -1.1 47.1 75 75 A E G >4 S+ 0 0 94 1,-0.3 3,-0.9 2,-0.2 6,-0.4 0.753 92.1 62.4 -54.0 -30.0 46.1 -1.4 50.5 76 76 A F G <4 S+ 0 0 11 -3,-1.2 6,-0.3 1,-0.2 -1,-0.3 0.619 89.6 68.0 -78.1 -12.1 43.4 -3.9 49.4 77 77 A K G <4 S+ 0 0 179 -3,-2.1 2,-0.3 -4,-0.4 -1,-0.2 0.777 91.6 75.0 -74.6 -26.6 46.0 -6.5 48.5 78 78 A T S XX S- 0 0 70 -3,-0.9 3,-1.7 -4,-0.5 4,-1.1 -0.660 89.5-124.2 -87.8 145.6 46.9 -6.8 52.1 79 79 A E H 3> S+ 0 0 114 -2,-0.3 4,-2.1 1,-0.3 5,-0.2 0.886 107.9 64.5 -53.9 -48.1 44.5 -8.7 54.5 80 80 A E H 3> S+ 0 0 137 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.789 102.9 55.8 -47.4 -27.6 44.1 -5.8 56.9 81 81 A G H <> S+ 0 0 0 -3,-1.7 4,-3.0 -6,-0.4 5,-0.3 0.987 102.6 45.5 -73.7 -62.4 42.5 -4.1 53.9 82 82 A Q H X S+ 0 0 2 -4,-1.1 4,-2.4 -6,-0.3 -1,-0.2 0.847 113.2 57.3 -50.7 -30.2 39.7 -6.3 52.8 83 83 A K H >X S+ 0 0 45 -4,-2.1 4,-2.5 2,-0.2 3,-0.5 0.994 106.9 44.4 -61.0 -63.7 39.0 -6.5 56.5 84 84 A K H 3X S+ 0 0 91 -4,-1.9 4,-2.1 1,-0.3 -2,-0.2 0.857 113.7 53.7 -44.5 -43.5 38.6 -2.8 56.8 85 85 A G H 3X S+ 0 0 0 -4,-3.0 4,-2.2 2,-0.2 -1,-0.3 0.867 106.8 49.4 -65.6 -39.4 36.5 -2.9 53.6 86 86 A I H <>S+ 0 0 0 -4,-2.2 5,-2.0 1,-0.2 3,-1.3 0.974 112.9 44.4 -50.6 -60.8 30.2 -3.0 54.0 90 90 A K H ><5S+ 0 0 162 -4,-3.5 3,-2.1 1,-0.3 -2,-0.2 0.890 105.8 63.5 -52.4 -42.4 28.8 -4.3 57.3 91 91 A K H 3<5S+ 0 0 148 -4,-3.3 -1,-0.3 1,-0.3 -2,-0.2 0.795 109.1 39.6 -56.0 -31.4 28.5 -0.7 58.6 92 92 A H T <<5S- 0 0 46 -4,-1.3 -1,-0.3 -3,-1.3 -2,-0.2 0.342 117.1-113.5-101.1 7.0 26.0 0.1 55.8 93 93 A G T < 5 + 0 0 32 -3,-2.1 2,-0.4 -4,-0.4 -3,-0.2 0.834 57.0 163.3 67.6 34.9 24.3 -3.3 56.1 94 94 A I < - 0 0 5 -5,-2.0 -1,-0.2 -6,-0.2 -90,-0.2 -0.749 20.4-176.0 -89.6 130.6 25.4 -4.5 52.7 95 95 A E + 0 0 83 -92,-2.5 2,-0.3 -2,-0.4 -91,-0.2 0.460 64.5 17.5-107.1 -6.5 25.0 -8.2 52.2 96 96 A G - 0 0 0 -93,-0.3 -91,-2.9 21,-0.1 2,-0.4 -0.982 61.4-145.2-163.1 160.4 26.5 -8.6 48.8 97 97 A L E -bd 5 119A 0 21,-1.5 23,-2.7 -2,-0.3 2,-0.6 -0.986 4.2-154.9-143.1 126.7 28.7 -6.9 46.2 98 98 A V E -bd 6 120A 0 -93,-2.5 -91,-1.8 -2,-0.4 2,-0.7 -0.889 16.4-161.1 -94.4 123.3 28.8 -6.7 42.4 99 99 A V E -bd 7 121A 0 21,-3.3 23,-3.0 -2,-0.6 2,-0.5 -0.905 6.6-166.2-110.5 108.7 32.3 -5.9 41.2 100 100 A I E +bd 8 122A 0 -93,-2.8 -91,-1.5 -2,-0.7 2,-0.2 -0.816 42.1 34.4 -98.5 124.6 32.4 -4.6 37.6 101 101 A G E -bd 9 123A 0 21,-3.3 23,-0.7 -2,-0.5 24,-0.2 -0.837 63.8 -90.1 147.1-177.4 35.6 -4.3 35.7 102 102 A G S S+ 0 0 4 22,-1.0 3,-0.3 -93,-0.5 -93,-0.3 -0.100 71.4 67.9 -87.3-151.6 39.0 -5.8 34.9 103 103 A D S S- 0 0 77 1,-0.3 -1,-0.1 -2,-0.2 -93,-0.1 -0.702 107.9 -40.6-162.8 47.0 41.8 -5.8 35.6 104 104 A G S S+ 0 0 46 -3,-0.1 -1,-0.3 -93,-0.0 3,-0.1 0.427 83.5 111.6 171.6 131.3 41.7 -7.0 38.1 105 105 A S > + 0 0 11 -3,-0.3 4,-1.1 1,-0.2 -2,-0.1 -0.630 61.5 96.3 98.1 -41.6 39.9 -6.9 40.6 106 106 A Y H > S+ 0 0 6 2,-0.2 4,-2.6 1,-0.1 -1,-0.2 0.733 85.0 66.5 -73.7 -31.1 38.4 -10.3 40.4 107 107 A Q H > S+ 0 0 90 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.918 101.9 44.3 -50.0 -48.8 41.2 -11.0 42.8 108 108 A G H > S+ 0 0 6 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.882 108.9 54.5 -67.8 -42.2 39.5 -8.8 45.3 109 109 A A H X S+ 0 0 0 -4,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.914 111.6 49.1 -55.1 -42.5 36.0 -10.3 44.7 110 110 A K H X S+ 0 0 59 -4,-2.6 4,-2.2 2,-0.2 3,-0.5 0.991 111.8 43.8 -59.1 -64.7 37.7 -13.7 45.4 111 111 A K H X S+ 0 0 58 -4,-2.5 4,-1.3 1,-0.3 -1,-0.2 0.814 111.2 58.0 -55.3 -30.9 39.5 -12.7 48.7 112 112 A L H <>S+ 0 0 0 -4,-2.4 5,-2.4 2,-0.2 3,-0.3 0.943 106.5 46.9 -62.4 -49.1 36.3 -11.0 49.7 113 113 A T H ><5S+ 0 0 44 -4,-2.0 3,-2.8 -3,-0.5 -2,-0.2 0.923 107.8 56.1 -56.9 -50.1 34.3 -14.2 49.4 114 114 A E H 3<5S+ 0 0 117 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.810 104.8 53.8 -51.1 -34.6 37.0 -16.1 51.3 115 115 A H T 3<5S- 0 0 67 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.264 129.7-101.0 -87.5 11.0 36.4 -13.6 54.1 116 116 A G T < 5S+ 0 0 63 -3,-2.8 -3,-0.2 1,-0.2 -2,-0.2 0.635 82.8 127.6 84.2 14.5 32.8 -14.5 54.0 117 117 A F < - 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