==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2006 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-OCT-99 1QO8 . COMPND 2 MOLECULE: FLAVOCYTOCHROME C3 FUMARATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA FRIGIDIMARINA; . AUTHOR V.BAMFORD,P.S.DOBBIN,D.J.RICHARDSON,A.M.HEMMINGS . 1128 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47464.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 736 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 55 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 121 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 10 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 2 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 . 69 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 115 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 306 27.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 2.0 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 3 2 3 4 5 4 1 4 1 1 0 2 0 2 0 0 1 3 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 5 2 3 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 PARALLEL BRIDGES PER LADDER . 6 6 6 0 1 5 2 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 4 1 0 1 2 1 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 2 A T 0 0 184 0, 0.0 94,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -30.6 61.9 58.5 -8.4 2 3 A P - 0 0 61 0, 0.0 2,-0.3 0, 0.0 93,-0.2 0.127 360.0-160.7 -73.0 175.2 61.7 62.0 -7.0 3 4 A D > - 0 0 34 91,-0.1 4,-2.6 90,-0.0 5,-0.2 -0.904 43.8 -93.4-133.2-179.7 59.9 63.6 -4.2 4 5 A M H > S+ 0 0 31 65,-0.5 4,-2.2 -2,-0.3 67,-0.2 0.847 124.1 56.5 -60.9 -51.6 59.2 67.2 -3.6 5 6 A G H > S+ 0 0 18 65,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.948 110.4 44.2 -38.4 -46.2 62.4 67.7 -1.6 6 7 A S H > S+ 0 0 39 64,-0.3 4,-2.7 1,-0.3 -2,-0.2 0.887 109.3 55.4 -81.0 -37.9 64.5 66.4 -4.5 7 8 A F H X S+ 0 0 103 -4,-2.6 4,-0.8 1,-0.2 -1,-0.3 0.945 115.5 40.3 -50.4 -47.6 62.6 68.4 -7.1 8 9 A H H X S+ 0 0 45 -4,-2.2 4,-2.3 -5,-0.2 3,-0.3 0.816 112.7 52.8 -72.4 -46.4 63.4 71.5 -5.0 9 10 A A H < S+ 0 0 26 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.887 104.8 58.0 -56.2 -41.2 67.0 70.6 -4.2 10 11 A D H < S+ 0 0 137 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.752 113.6 38.5 -55.8 -33.6 67.7 70.1 -7.9 11 12 A M H < S- 0 0 126 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.817 145.7 -10.9 -85.2 -32.3 66.6 73.7 -8.4 12 13 A G S < S- 0 0 50 -4,-2.3 2,-0.3 -5,-0.1 -3,-0.2 0.338 97.9 -87.2-130.9-102.2 68.3 75.0 -5.3 13 14 A S > - 0 0 54 -5,-0.2 3,-3.0 1,-0.1 4,-0.4 -0.946 42.6 -79.7-164.5-177.3 69.6 72.7 -2.6 14 15 A C G >> S+ 0 0 66 1,-0.3 4,-1.7 -2,-0.3 3,-1.7 0.881 126.9 63.7 -52.0 -40.3 68.6 70.9 0.5 15 16 A Q G 34 S+ 0 0 72 1,-0.3 -1,-0.3 2,-0.2 5,-0.1 0.536 74.5 87.8 -69.2 -11.2 69.0 74.2 2.2 16 17 A S G <4 S+ 0 0 45 -3,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.952 117.8 4.8 -52.2 -43.4 66.2 75.7 0.1 17 18 A C T <4 S+ 0 0 39 -3,-1.7 2,-0.3 -4,-0.4 -2,-0.2 0.660 125.3 65.5-109.3 -16.4 63.9 74.3 3.0 18 19 A H S < S- 0 0 29 -4,-1.7 4,-0.1 -5,-0.2 6,-0.1 -0.841 77.7-113.3-110.9 152.1 66.2 72.9 5.7 19 20 A A - 0 0 41 -2,-0.3 4,-0.1 4,-0.2 -1,-0.1 -0.146 49.7 -83.1 -65.1 165.0 68.7 74.6 8.0 20 21 A K S S+ 0 0 176 2,-0.1 2,-0.2 -5,-0.1 -1,-0.1 -0.981 123.3 35.1 -99.8 113.4 72.4 73.8 7.6 21 22 A P S S- 0 0 107 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 0.621 111.9-109.9 -10.9 130.9 73.1 70.8 9.3 22 23 A I + 0 0 95 -2,-0.2 2,-0.2 -4,-0.1 -2,-0.1 -0.495 59.7 152.0 -63.6 111.5 69.6 69.1 8.4 23 24 A K - 0 0 166 -2,-0.4 2,-0.4 -4,-0.1 -4,-0.2 -0.748 27.9-160.8-140.9 87.1 67.9 69.1 11.8 24 25 A V - 0 0 30 -2,-0.2 2,-0.1 268,-0.1 -6,-0.1 -0.566 13.8-135.2 -83.0 122.2 64.1 69.3 11.3 25 26 A T > - 0 0 64 -2,-0.4 3,-1.9 1,-0.1 6,-0.1 -0.384 23.4-109.5 -70.0 158.1 62.1 70.5 14.3 26 27 A D T 3 S+ 0 0 9 1,-0.3 265,-0.1 2,-0.1 -1,-0.1 0.935 122.0 47.3 -51.7 -44.0 58.9 68.6 15.4 27 28 A S T 3 S- 0 0 13 1,-0.1 -1,-0.3 263,-0.0 242,-0.1 0.387 102.5-134.7 -78.9 0.9 56.8 71.6 14.3 28 29 A E <> + 0 0 18 -3,-1.9 4,-2.2 240,-0.1 5,-0.3 0.832 49.7 155.4 47.6 36.1 58.7 71.9 10.9 29 30 A T H > + 0 0 85 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.988 62.8 45.9 -61.1 -59.1 58.9 75.6 11.6 30 31 A H H > S+ 0 0 82 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.894 112.8 50.8 -53.6 -50.7 61.9 76.5 9.5 31 32 A E H > S+ 0 0 15 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.921 112.1 46.1 -59.8 -41.8 60.7 74.5 6.5 32 33 A N H X S+ 0 0 4 -4,-2.2 4,-1.8 -3,-0.2 -1,-0.2 0.846 106.2 58.3 -75.8 -30.2 57.2 76.0 6.4 33 34 A A H X S+ 0 0 53 -4,-2.8 4,-2.3 -5,-0.3 -1,-0.2 0.946 108.1 50.5 -59.3 -34.8 58.7 79.6 6.8 34 35 A Q H X S+ 0 0 55 -4,-1.7 4,-2.2 -17,-0.2 5,-0.4 0.912 103.8 55.0 -72.5 -46.2 60.5 78.7 3.6 35 36 A C H X S+ 0 0 26 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.901 113.1 43.9 -41.3 -54.7 57.5 77.6 1.7 36 37 A K H X S+ 0 0 35 -4,-1.8 4,-3.1 2,-0.2 -2,-0.2 0.865 109.3 57.1 -72.6 -37.4 55.8 80.9 2.5 37 38 A S H < S+ 0 0 87 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.958 120.1 28.2 -49.5 -67.0 59.0 83.0 1.6 38 39 A C H < S+ 0 0 108 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.693 134.1 32.0 -67.1 -35.4 59.3 81.6 -1.8 39 40 A H H < S- 0 0 114 -4,-2.3 -3,-0.2 -5,-0.4 -1,-0.2 0.577 104.6-117.3-103.4 -12.3 55.6 80.9 -2.5 40 41 A G < - 0 0 9 -4,-3.1 -1,-0.2 -5,-0.2 2,-0.1 -0.178 33.8 -73.4 100.1 157.1 53.7 83.5 -0.6 41 42 A E > - 0 0 105 -4,-0.1 4,-2.5 -2,-0.1 3,-0.4 -0.289 57.4 -86.4 -78.2-179.0 51.2 83.1 2.3 42 43 A Y H > S+ 0 0 38 1,-0.2 4,-2.5 2,-0.2 13,-0.0 0.865 124.8 60.7 -62.9 -40.5 47.6 81.8 1.9 43 44 A A H 4 S+ 0 0 97 1,-0.2 -1,-0.2 2,-0.2 12,-0.0 0.939 113.1 39.6 -56.5 -35.4 46.1 85.3 1.0 44 45 A E H 4 S+ 0 0 152 -3,-0.4 -2,-0.2 1,-0.2 -1,-0.2 0.889 117.2 47.9 -84.2 -35.0 48.4 85.3 -2.0 45 46 A L H < S+ 0 0 60 -4,-2.5 -1,-0.2 10,-0.1 -2,-0.2 0.789 90.3 109.3 -75.2 -21.0 48.0 81.6 -2.8 46 47 A A < - 0 0 31 -4,-2.5 10,-0.1 -5,-0.2 2,-0.1 -0.150 48.9-166.8 -63.8 142.6 44.2 81.8 -2.5 47 48 A N - 0 0 79 1,-0.1 -1,-0.1 3,-0.1 -2,-0.0 0.087 12.8-164.7 -99.9-145.0 42.1 81.6 -5.6 48 49 A D S S+ 0 0 147 -2,-0.1 2,-0.8 0, 0.0 -1,-0.1 0.008 84.5 70.5-178.6 -28.3 38.3 82.5 -5.7 49 50 A K S S+ 0 0 188 4,-0.0 2,-0.4 0, 0.0 4,-0.0 -0.181 86.2 99.1 -84.9 39.2 37.5 80.8 -9.0 50 51 A L S S- 0 0 76 -2,-0.8 -3,-0.1 1,-0.2 -4,-0.0 -0.996 70.6-138.1-148.4 125.3 38.0 77.5 -7.2 51 52 A Q S S+ 0 0 158 -2,-0.4 -1,-0.2 1,-0.1 380,-0.0 0.874 94.8 8.0 -54.5 -54.3 35.5 75.0 -5.7 52 53 A F S S- 0 0 47 5,-0.0 -1,-0.1 380,-0.0 4,-0.1 0.891 79.2-145.2-101.8 -45.2 37.2 74.1 -2.5 53 54 A D > - 0 0 12 2,-0.1 3,-2.3 4,-0.1 -7,-0.1 0.973 11.8-168.8 67.0 90.6 40.3 76.2 -1.8 54 55 A P T 3 S+ 0 0 56 0, 0.0 3,-0.2 0, 0.0 -8,-0.1 0.894 91.8 52.7 -68.1 -28.4 42.9 74.1 -0.1 55 56 A H T 3 S+ 0 0 58 1,-0.2 -9,-0.2 -10,-0.1 2,-0.2 0.195 114.4 37.2-100.0 15.0 44.7 77.5 0.5 56 57 A N S < S+ 0 0 114 -3,-2.3 2,-0.3 -4,-0.1 -1,-0.2 -0.590 81.6 134.9-157.2 91.4 41.8 79.3 2.1 57 58 A S S > S- 0 0 41 -3,-0.2 3,-1.7 -2,-0.2 -4,-0.1 -0.889 70.5 -95.5-130.5 173.0 39.7 77.0 4.3 58 59 A H T 3 S+ 0 0 86 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.711 111.2 82.0 -68.3 -20.4 38.2 77.1 7.8 59 60 A L T 3 S- 0 0 22 1,-0.2 -1,-0.3 102,-0.0 2,-0.1 0.783 88.1-158.3 -52.5 -30.4 41.4 75.3 9.1 60 61 A G < - 0 0 23 -3,-1.7 2,-1.2 2,-0.1 -3,-0.2 -0.452 49.4 -5.3 86.1-153.1 42.9 78.9 9.1 61 62 A D S S+ 0 0 77 -2,-0.1 2,-0.3 -3,-0.1 -1,-0.1 -0.610 83.5 152.3 -88.2 85.7 46.7 79.5 9.0 62 63 A I - 0 0 19 -2,-1.2 92,-0.1 92,-0.1 -2,-0.1 -0.829 51.3 -72.0-109.7 172.1 48.3 76.0 9.3 63 64 A N > - 0 0 27 90,-0.5 3,-1.8 -2,-0.3 4,-0.3 -0.327 32.0-136.1 -57.2 131.1 51.6 74.5 8.1 64 65 A C G >> S+ 0 0 22 1,-0.2 4,-2.8 2,-0.2 3,-1.6 0.771 106.7 64.0 -43.4 -43.1 51.9 73.9 4.3 65 66 A T G 34 S+ 0 0 15 2,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.488 74.5 88.5 -76.9 10.7 53.4 70.4 5.2 66 67 A S G <4 S+ 0 0 2 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.883 119.6 0.5 -53.9 -42.4 50.0 69.5 6.8 67 68 A C T <4 S+ 0 0 26 -3,-1.6 8,-2.3 -4,-0.3 2,-0.4 0.753 122.8 68.6-112.0 -56.9 49.5 68.4 3.3 68 69 A H S < S- 0 0 48 -4,-2.8 2,-0.4 6,-0.2 -1,-0.2 -0.776 72.0-153.8 -68.0 133.7 52.5 68.9 1.0 69 70 A K - 0 0 17 -2,-0.4 -65,-0.5 3,-0.4 3,-0.2 -0.900 18.3-146.8-112.1 148.2 55.2 66.5 2.0 70 71 A G S S+ 0 0 28 -2,-0.4 -65,-2.5 1,-0.2 -64,-0.3 0.906 96.8 8.1 -58.2 -51.5 59.0 66.7 1.6 71 72 A H S S+ 0 0 80 -67,-0.2 2,-0.3 -68,-0.1 -1,-0.2 0.024 121.2 48.1-138.6 25.8 59.8 63.1 1.2 72 73 A E S S- 0 0 32 -3,-0.2 -3,-0.4 22,-0.1 22,-0.2 -0.989 93.1 -55.2-164.6 168.0 56.5 61.2 0.9 73 74 A E - 0 0 85 22,-1.8 19,-0.1 -2,-0.3 24,-0.1 -0.202 64.7-113.2 -46.9 124.4 53.0 60.9 -0.6 74 75 A P - 0 0 17 0, 0.0 2,-0.5 0, 0.0 -6,-0.2 -0.285 22.0-134.4 -58.7 151.4 51.2 64.1 -0.1 75 76 A K - 0 0 67 -8,-2.3 2,-1.4 -10,-0.1 3,-0.1 -0.981 2.5-152.6-105.5 119.0 48.1 64.3 2.3 76 77 A F > - 0 0 40 -2,-0.5 3,-1.6 1,-0.2 4,-0.1 -0.740 20.4-166.8 -81.6 96.6 45.0 66.1 1.1 77 78 A Y G > S+ 0 0 21 -2,-1.4 3,-1.9 1,-0.3 4,-0.2 0.695 73.3 73.5 -72.6 -27.0 44.2 66.7 4.6 78 79 A C G >> S+ 0 0 23 1,-0.3 4,-3.0 2,-0.1 3,-1.7 0.885 88.4 63.5 -37.8 -47.2 40.5 67.9 3.8 79 80 A N G <4 S+ 0 0 59 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.328 76.9 82.0 -74.9 11.2 39.6 64.3 3.1 80 81 A E G <4 S+ 0 0 73 -3,-1.9 -1,-0.3 -4,-0.1 -2,-0.1 0.657 121.3 8.2 -73.7 -22.9 40.2 63.2 6.7 81 82 A C T <4 S+ 0 0 32 -3,-1.7 286,-2.8 -4,-0.2 -2,-0.3 0.654 132.3 46.4-123.0 -38.5 36.8 64.6 7.2 82 83 A H < - 0 0 27 -4,-3.0 351,-0.1 284,-0.2 284,-0.1 -0.300 65.1-140.2 -98.6-176.0 35.3 65.4 3.7 83 84 A S + 0 0 66 349,-0.5 283,-0.1 -2,-0.1 -4,-0.1 -0.151 32.6 167.2-136.6 47.0 35.3 63.4 0.5 84 85 A F - 0 0 16 1,-0.1 2,-0.6 350,-0.0 349,-0.1 -0.309 37.3-126.2 -55.6 149.5 36.0 66.1 -2.2 85 86 A D + 0 0 135 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.901 45.0 162.3-102.9 117.7 36.9 64.5 -5.5 86 87 A I - 0 0 75 -2,-0.6 3,-0.1 3,-0.0 0, 0.0 -0.927 41.7-104.8-138.4 151.8 40.2 66.0 -6.6 87 88 A K - 0 0 176 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.485 63.2 -73.4 -73.6 148.9 43.0 65.2 -9.1 88 89 A P - 0 0 100 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.192 56.5-113.4 -41.4 128.3 46.2 63.9 -7.6 89 90 A M > - 0 0 34 1,-0.2 3,-0.8 -3,-0.1 -13,-0.0 -0.261 46.0 -74.6 -55.7 154.9 48.2 66.5 -5.7 90 91 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.2 0, 0.0 -86,-0.1 -0.312 121.8 19.5 -48.3 144.6 51.6 67.7 -7.0 91 92 A F T > S+ 0 0 56 -3,-0.1 3,-1.3 1,-0.1 -87,-0.2 0.856 77.5 151.9 66.6 38.8 54.2 65.0 -6.2 92 93 A S T < + 0 0 51 -3,-0.8 -1,-0.1 1,-0.3 -19,-0.1 0.709 60.1 65.4 -86.7 -7.4 51.7 62.2 -5.7 93 94 A D T 3 S+ 0 0 129 -20,-0.1 -1,-0.3 -21,-0.1 3,-0.2 0.625 73.6 120.4 -89.6 -0.7 54.0 59.4 -6.8 94 95 A A S < S- 0 0 6 -3,-1.3 -21,-0.2 -22,-0.2 -91,-0.1 -0.131 79.2 -72.9 -52.1 147.6 56.3 59.9 -3.8 95 96 A K - 0 0 157 -94,-0.2 -22,-1.8 -93,-0.2 2,-0.2 -0.095 42.8-121.3 -42.7 124.7 56.7 56.9 -1.5 96 97 A K - 0 0 168 -24,-0.2 2,-0.3 -3,-0.2 -1,-0.1 -0.534 36.4-178.2 -69.0 128.7 53.9 55.9 0.8 97 98 A K - 0 0 104 -2,-0.2 2,-0.1 -24,-0.1 3,-0.1 -0.935 28.8-107.5-132.4 154.1 55.0 55.9 4.4 98 99 A K - 0 0 195 -2,-0.3 4,-0.1 1,-0.2 0, 0.0 -0.520 52.7 -82.6 -76.2 147.7 53.2 55.0 7.6 99 100 A S - 0 0 70 1,-0.2 -1,-0.2 -2,-0.1 0, 0.0 -0.175 34.3-127.8 -38.9 143.8 52.1 57.8 9.9 100 101 A W S S+ 0 0 48 1,-0.2 2,-1.4 -3,-0.1 -1,-0.2 0.780 99.1 78.2 -66.4 -31.8 55.0 58.9 12.2 101 102 A D + 0 0 36 1,-0.1 -1,-0.2 50,-0.0 -2,-0.1 -0.660 56.6 159.8 -87.0 86.9 52.6 58.4 15.1 102 103 A D - 0 0 127 -2,-1.4 2,-0.3 1,-0.3 -1,-0.1 0.023 55.9 -90.2-101.9 29.4 52.8 54.6 15.4 103 104 A G - 0 0 29 2,-0.1 2,-0.4 0, 0.0 -1,-0.3 -0.764 70.0 -35.3 92.6-149.0 51.6 54.2 19.0 104 105 A W - 0 0 123 -2,-0.3 2,-0.8 -3,-0.1 3,-0.1 -0.892 38.8-152.0-122.7 132.5 53.8 54.0 22.1 105 106 A D > - 0 0 65 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 -0.862 10.9-170.1-108.3 101.7 57.3 52.6 22.4 106 107 A Q H > S+ 0 0 113 -2,-0.8 4,-2.9 2,-0.2 5,-0.2 0.922 85.2 53.0 -59.8 -41.6 57.6 51.5 26.1 107 108 A D H > S+ 0 0 89 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.961 112.8 44.1 -63.5 -40.4 61.3 50.8 25.8 108 109 A K H > S+ 0 0 115 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.845 112.1 53.1 -71.1 -28.4 62.0 54.3 24.4 109 110 A I H X S+ 0 0 4 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.913 108.4 50.5 -66.7 -48.3 59.6 55.9 26.9 110 111 A Q H X S+ 0 0 124 -4,-2.9 4,-3.4 -5,-0.2 3,-0.3 0.969 108.7 52.4 -50.4 -51.2 61.6 54.2 29.7 111 112 A K H X S+ 0 0 153 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.897 108.2 50.4 -54.7 -44.6 64.9 55.5 28.3 112 113 A A H < S+ 0 0 12 -4,-2.0 185,-0.3 1,-0.2 -1,-0.2 0.831 114.5 43.3 -70.3 -33.1 63.6 59.1 28.2 113 114 A I H >< S+ 0 0 49 -4,-2.0 3,-2.7 -3,-0.3 -2,-0.2 0.924 111.6 53.2 -72.2 -44.7 62.4 58.9 31.9 114 115 A A H 3< S+ 0 0 91 -4,-3.4 -2,-0.2 1,-0.3 -3,-0.2 0.979 109.0 52.1 -50.5 -54.2 65.6 57.1 33.1 115 116 A A T 3< S- 0 0 85 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.470 108.0-139.4 -53.5 -11.6 67.5 59.9 31.4 116 117 A G < - 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