==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/TRANSFERASE 13-AUG-09 3INV . COMPND 2 MOLECULE: BIFUNCTIONAL DIHYDROFOLATE REDUCTASE-THYMIDYLATE . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA CRUZI; . AUTHOR P.CHITNUMSUB,J.YUVANIYAMA,Y.YUTHAVONG . 1027 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43711.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 695 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 89 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 138 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 93 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 124 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 214 20.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.1 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 1 6 6 1 1 0 2 4 0 0 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 4 0 2 0 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 10 4 2 4 2 0 2 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 0 2 0 0 2 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 S > 0 0 88 0, 0.0 3,-0.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -51.0 4.0 32.9 93.9 2 3 A L T 3 + 0 0 151 1,-0.2 4,-0.1 3,-0.1 0, 0.0 0.701 360.0 60.1 -73.2 -16.3 6.0 36.0 92.9 3 4 A F T 3 S+ 0 0 117 2,-0.1 -1,-0.2 358,-0.0 2,-0.1 0.746 102.9 64.5 -79.1 -23.6 8.3 33.8 90.8 4 5 A K S < S- 0 0 71 -3,-0.7 2,-0.8 491,-0.0 296,-0.0 -0.451 92.6-108.3 -93.8 169.3 5.2 32.7 88.7 5 6 A I - 0 0 5 -2,-0.1 490,-3.0 367,-0.0 2,-0.3 -0.860 30.5-143.3-105.0 105.6 3.0 34.8 86.5 6 7 A R B -A 494 0A 120 -2,-0.8 488,-0.3 488,-0.2 487,-0.1 -0.486 15.4-129.0 -70.3 130.0 -0.4 35.4 88.0 7 8 A M - 0 0 9 486,-2.9 440,-0.1 -2,-0.3 2,-0.1 -0.483 24.8-122.1 -77.0 147.5 -3.3 35.3 85.6 8 9 A P > - 0 0 37 0, 0.0 3,-1.7 0, 0.0 4,-0.2 -0.294 27.1 -99.0 -84.2 173.6 -5.7 38.3 85.7 9 10 A E T 3 S+ 0 0 194 1,-0.3 3,-0.4 2,-0.1 4,-0.3 0.676 122.5 59.7 -66.7 -17.5 -9.5 38.2 86.3 10 11 A T T 3 S+ 0 0 67 1,-0.2 -1,-0.3 2,-0.1 438,-0.1 0.429 70.4 114.6 -89.3 0.3 -10.0 38.6 82.5 11 12 A V S < S+ 0 0 19 -3,-1.7 4,-0.2 1,-0.2 -1,-0.2 0.794 84.9 32.0 -39.7 -44.3 -8.1 35.3 81.9 12 13 A A S > S+ 0 0 18 -3,-0.4 2,-1.5 1,-0.2 3,-1.0 0.833 106.0 73.1 -88.0 -35.0 -11.2 33.5 80.5 13 14 A E T 3 S+ 0 0 108 -4,-0.3 -1,-0.2 1,-0.2 -4,-0.0 -0.653 95.2 48.1 -81.2 90.0 -13.0 36.5 78.9 14 15 A G T 3 S+ 0 0 28 -2,-1.5 -1,-0.2 -3,-0.1 261,-0.2 0.073 113.4 40.3 168.4 -31.2 -10.8 37.0 75.9 15 16 A T S < S+ 0 0 8 -3,-1.0 2,-0.5 -4,-0.2 473,-0.2 0.152 83.9 132.6-118.2 11.2 -10.4 33.6 74.5 16 17 A R - 0 0 151 -4,-0.3 2,-0.3 1,-0.1 471,-0.1 -0.545 64.5-118.9 -71.1 116.8 -14.0 32.8 75.1 17 18 A L - 0 0 19 -2,-0.5 3,-0.1 122,-0.2 -1,-0.1 -0.397 28.5-173.0 -60.1 114.4 -15.5 31.3 72.0 18 19 A A S S+ 0 0 68 -2,-0.3 2,-0.4 1,-0.3 121,-0.2 0.900 70.7 13.8 -76.8 -43.8 -18.4 33.6 70.8 19 20 A L S S- 0 0 29 256,-0.1 2,-0.3 120,-0.1 -1,-0.3 -0.996 75.5-125.6-137.8 140.9 -19.7 31.3 68.1 20 21 A R - 0 0 1 115,-1.3 119,-0.1 -2,-0.4 118,-0.1 -0.662 30.5-117.9 -86.0 138.1 -19.1 27.7 67.3 21 22 A A + 0 0 2 -2,-0.3 129,-0.4 150,-0.1 2,-0.3 -0.298 39.2 178.7 -70.2 159.1 -17.9 26.8 63.7 22 23 A F E -b 171 0B 1 148,-2.2 150,-2.5 145,-0.2 151,-0.5 -0.959 24.1-130.6-155.9 170.8 -20.1 24.6 61.6 23 24 A S E -bc 173 151B 9 127,-3.2 129,-2.9 -2,-0.3 2,-0.4 -0.806 21.9-132.2-123.1 164.7 -20.6 22.9 58.2 24 25 A L E -bc 174 152B 0 149,-2.7 151,-3.9 -2,-0.3 2,-0.4 -0.974 13.6-170.6-129.0 134.7 -23.6 22.9 55.9 25 26 A V E +b 175 0B 6 127,-2.4 2,-0.3 -2,-0.4 151,-0.2 -0.980 21.2 155.2-121.8 128.6 -25.4 20.1 54.1 26 27 A V E -b 176 0B 8 149,-2.5 151,-2.6 -2,-0.4 2,-0.5 -0.996 33.3-144.4-153.4 153.8 -28.1 20.8 51.4 27 28 A A E +b 177 0B 16 -2,-0.3 2,-0.3 149,-0.2 151,-0.2 -0.986 26.5 175.1-121.3 122.4 -29.7 19.3 48.4 28 29 A V E -b 178 0B 9 149,-2.7 151,-2.9 -2,-0.5 6,-0.2 -0.915 24.7-129.9-126.6 153.4 -30.7 21.7 45.6 29 30 A D E > -b 179 0B 3 4,-1.9 3,-1.7 -2,-0.3 151,-0.2 -0.252 49.3 -81.3 -88.0-173.8 -32.2 21.1 42.1 30 31 A E T 3 S+ 0 0 92 149,-0.8 150,-0.1 1,-0.3 -1,-0.1 0.579 131.5 48.9 -68.2 -6.7 -30.6 22.7 39.0 31 32 A H T 3 S- 0 0 139 2,-0.1 -1,-0.3 0, 0.0 159,-0.1 0.063 121.9-101.7-118.2 23.7 -32.4 26.0 39.6 32 33 A G S < S+ 0 0 14 -3,-1.7 158,-2.1 1,-0.2 2,-0.2 0.617 71.8 150.1 68.6 14.2 -31.4 26.2 43.3 33 34 A G E +J 189 0C 0 156,-0.2 -4,-1.9 1,-0.1 156,-0.2 -0.534 20.4 171.7 -78.4 145.3 -34.8 25.1 44.5 34 35 A I E - 0 0 18 154,-2.9 2,-0.3 1,-0.5 155,-0.2 0.507 60.9 -22.9-127.2 -14.2 -34.9 23.2 47.8 35 36 A G E -J 188 0C 6 153,-1.1 152,-2.4 5,-0.2 153,-2.0 -0.978 53.3-106.6 179.8 174.0 -38.6 22.9 48.6 36 37 A D S S- 0 0 68 3,-1.9 4,-0.1 150,-0.3 153,-0.1 0.353 74.9 -90.5 -98.9 4.3 -42.1 24.3 48.1 37 38 A G S S+ 0 0 48 2,-0.5 3,-0.1 151,-0.1 149,-0.0 0.090 123.7 47.3 108.9 -20.2 -42.1 25.8 51.5 38 39 A R S S- 0 0 211 1,-0.4 2,-0.3 44,-0.0 -3,-0.0 0.684 119.0 -6.4-119.6 -37.4 -43.6 22.7 53.1 39 40 A S S S- 0 0 55 44,-0.0 -3,-1.9 0, 0.0 -2,-0.5 -0.876 76.2 -81.9-150.3-179.4 -41.6 19.7 51.8 40 41 A I - 0 0 89 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.0 -0.862 33.1-144.9 -97.4 120.9 -38.9 18.6 49.4 41 42 A P S S+ 0 0 69 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.534 75.6 55.9 -58.8 -15.4 -40.3 18.0 45.8 42 43 A W - 0 0 40 2,-0.0 2,-0.4 139,-0.0 -2,-0.1 -0.708 66.9-142.4-119.8 171.9 -38.1 15.1 45.0 43 44 A N + 0 0 104 -2,-0.2 179,-0.1 4,-0.0 3,-0.1 -0.860 28.0 159.3-136.7 98.5 -37.3 11.6 46.4 44 45 A V >> - 0 0 8 -2,-0.4 4,-1.7 1,-0.1 3,-1.6 -0.829 18.2-169.8-124.8 91.7 -33.7 10.5 46.1 45 46 A P H 3> S+ 0 0 59 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.835 85.3 60.3 -45.2 -43.5 -33.0 7.7 48.7 46 47 A E H 3> S+ 0 0 45 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.819 104.9 47.1 -60.9 -33.6 -29.3 7.9 48.1 47 48 A D H <> S+ 0 0 20 -3,-1.6 4,-3.1 2,-0.2 5,-0.2 0.924 109.0 53.6 -73.3 -44.3 -29.1 11.6 49.1 48 49 A M H X S+ 0 0 120 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.875 112.1 47.6 -55.6 -36.5 -31.1 10.9 52.3 49 50 A K H X S+ 0 0 108 -4,-2.1 4,-2.6 -5,-0.2 5,-0.2 0.894 109.4 51.0 -72.6 -41.2 -28.5 8.2 53.0 50 51 A F H X S+ 0 0 62 -4,-2.0 4,-3.0 1,-0.2 5,-0.2 0.939 111.6 49.0 -59.6 -46.6 -25.6 10.5 52.3 51 52 A F H X S+ 0 0 42 -4,-3.1 4,-2.4 1,-0.2 5,-0.3 0.913 110.8 50.7 -57.8 -46.9 -27.1 13.0 54.7 52 53 A R H X S+ 0 0 126 -4,-2.0 4,-1.4 -5,-0.2 5,-0.3 0.937 115.3 40.6 -58.4 -52.2 -27.6 10.4 57.3 53 54 A D H X S+ 0 0 42 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.936 115.7 50.7 -65.0 -48.2 -24.0 9.0 57.2 54 55 A L H < S+ 0 0 31 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.939 117.0 37.1 -55.9 -53.8 -22.4 12.4 56.8 55 56 A T H < S+ 0 0 0 -4,-2.4 -1,-0.2 -5,-0.2 16,-0.2 0.703 122.1 44.7 -76.3 -18.7 -24.1 14.1 59.8 56 57 A T H < S+ 0 0 28 -4,-1.4 15,-0.3 -5,-0.3 -2,-0.2 0.882 93.8 85.7 -91.3 -43.8 -24.1 11.1 62.0 57 58 A K < - 0 0 131 -4,-2.6 2,-0.3 -5,-0.3 7,-0.1 -0.272 64.5-146.1 -65.8 141.7 -20.6 9.7 61.6 58 59 A L - 0 0 15 5,-0.6 5,-0.2 1,-0.1 -2,-0.1 -0.701 33.7 -90.0-100.9 156.5 -17.7 11.0 63.7 59 60 A R S S+ 0 0 97 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 -0.192 92.5 28.9 -64.9 160.1 -14.2 11.2 62.3 60 61 A G S S- 0 0 69 -3,-0.1 2,-0.3 2,-0.0 3,-0.1 -0.681 99.1 -59.7 92.4-147.1 -11.8 8.3 62.5 61 62 A K S S+ 0 0 188 -2,-0.3 3,-0.1 1,-0.1 -2,-0.0 -0.973 101.7 7.5-141.2 154.8 -13.0 4.7 62.7 62 63 A N S S+ 0 0 178 -2,-0.3 2,-0.6 1,-0.2 -1,-0.1 0.817 82.0 135.7 44.7 40.0 -15.2 2.5 64.8 63 64 A V - 0 0 74 -5,-0.2 -5,-0.6 -3,-0.1 -1,-0.2 -0.959 39.0-161.3-116.8 109.3 -16.3 5.5 66.9 64 65 A K - 0 0 170 -2,-0.6 -7,-0.1 1,-0.1 -3,-0.0 -0.708 29.9 -95.9 -92.1 144.2 -20.1 5.4 67.4 65 66 A P + 0 0 36 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 -0.218 48.0 174.2 -56.8 144.4 -22.0 8.5 68.5 66 67 A S B > -K 69 0D 43 3,-1.7 3,-1.8 26,-0.1 -3,-0.0 -0.952 47.3-103.4-146.7 160.3 -22.6 9.0 72.2 67 68 A P T 3 S+ 0 0 100 0, 0.0 3,-0.3 0, 0.0 -1,-0.0 0.841 124.6 49.8 -56.5 -31.8 -24.1 11.8 74.3 68 69 A A T 3 S+ 0 0 75 1,-0.3 2,-0.2 79,-0.0 0, 0.0 0.509 125.8 23.7 -84.7 -5.7 -20.5 12.7 75.3 69 70 A K B < S+K 66 0D 55 -3,-1.8 -3,-1.7 2,-0.1 2,-0.3 -0.583 86.4 106.1-164.4 94.9 -19.3 12.7 71.7 70 71 A R E -d 147 0B 24 76,-1.0 78,-1.8 -3,-0.3 79,-0.2 -0.920 59.1 -92.9-155.9 177.9 -21.5 13.3 68.7 71 72 A N E - e 0 93B 0 21,-0.6 23,-2.4 -15,-0.3 2,-0.3 -0.488 31.2-137.4 -94.8 170.4 -22.5 15.8 66.1 72 73 A A E -de 150 94B 0 77,-2.1 79,-2.4 21,-0.2 2,-0.4 -0.912 6.4-153.3-125.7 153.9 -25.3 18.3 66.2 73 74 A V E -de 151 95B 0 21,-2.7 23,-3.3 -2,-0.3 2,-0.5 -0.999 7.3-157.0-128.0 131.1 -27.8 19.2 63.5 74 75 A V E +de 152 96B 0 77,-2.9 79,-2.3 -2,-0.4 80,-0.4 -0.944 21.6 164.3-112.8 126.1 -29.5 22.7 63.4 75 76 A M E - e 0 97B 0 21,-2.4 23,-2.7 -2,-0.5 80,-0.2 -0.958 37.6-105.4-139.9 157.0 -32.7 23.1 61.6 76 77 A G E > - e 0 98B 7 78,-1.6 4,-2.0 -2,-0.3 3,-0.5 -0.360 38.7-110.2 -74.1 160.0 -35.6 25.6 61.3 77 78 A R H > S+ 0 0 77 21,-1.0 4,-2.2 1,-0.2 5,-0.1 0.824 118.5 55.7 -62.8 -31.7 -38.9 24.6 62.9 78 79 A K H > S+ 0 0 145 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.836 108.0 49.3 -70.9 -28.8 -40.6 24.1 59.6 79 80 A T H 4 S+ 0 0 31 -3,-0.5 4,-0.5 2,-0.2 -2,-0.2 0.875 109.8 50.4 -74.8 -38.1 -37.9 21.6 58.6 80 81 A W H >< S+ 0 0 2 -4,-2.0 3,-1.0 1,-0.2 -2,-0.2 0.904 110.2 51.8 -63.9 -39.9 -38.4 19.8 62.0 81 82 A D H 3< S+ 0 0 66 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.869 101.7 60.4 -63.7 -37.6 -42.1 19.8 61.2 82 83 A S T 3< S+ 0 0 57 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.610 86.7 88.9 -68.3 -12.6 -41.5 18.3 57.7 83 84 A I S < S- 0 0 23 -3,-1.0 5,-0.1 -4,-0.5 -44,-0.0 -0.744 91.5-112.7 -87.0 131.0 -39.9 15.2 59.3 84 85 A P > - 0 0 47 0, 0.0 3,-3.7 0, 0.0 4,-0.5 -0.459 24.6-120.5 -64.0 131.2 -42.4 12.5 60.1 85 86 A P G > S+ 0 0 56 0, 0.0 3,-1.0 0, 0.0 -2,-0.0 0.737 111.2 69.3 -41.9 -29.3 -42.7 12.1 63.9 86 87 A K G 3 S+ 0 0 138 1,-0.2 25,-0.0 25,-0.1 -3,-0.0 0.663 104.7 40.6 -67.7 -15.3 -41.6 8.4 63.4 87 88 A F G < S+ 0 0 118 -3,-3.7 -1,-0.2 3,-0.0 -4,-0.0 0.363 93.3 143.5-112.0 1.8 -38.1 9.7 62.5 88 89 A R < + 0 0 21 -3,-1.0 2,-0.1 -4,-0.5 32,-0.1 -0.807 57.0 28.2 -98.9 132.3 -37.9 12.5 65.1 89 90 A P S S- 0 0 2 0, 0.0 35,-0.1 0, 0.0 3,-0.0 0.628 94.5-115.2 -89.3 170.6 -35.5 13.1 66.4 90 91 A L > - 0 0 20 -2,-0.1 3,-1.1 33,-0.1 -2,-0.1 -0.466 43.4-120.8 -61.9 114.1 -32.7 12.2 64.0 91 92 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.213 86.9 23.7 -61.1 147.1 -30.9 9.4 65.9 92 93 A G T 3 S+ 0 0 34 1,-0.2 -21,-0.6 -27,-0.1 2,-0.3 0.479 109.8 81.4 79.5 4.7 -27.3 9.7 66.9 93 94 A R E < S-e 71 0B 8 -3,-1.1 2,-0.6 -23,-0.1 -21,-0.2 -0.987 84.1-110.0-143.0 150.1 -27.2 13.5 66.8 94 95 A L E -e 72 0B 4 -23,-2.4 -21,-2.7 -2,-0.3 2,-0.8 -0.688 37.0-145.8 -76.8 119.4 -28.2 16.4 69.0 95 96 A N E -ef 73 124B 0 28,-3.6 30,-2.2 -2,-0.6 2,-0.6 -0.828 15.1-169.1 -93.3 111.2 -31.2 17.9 67.2 96 97 A V E -ef 74 125B 0 -23,-3.3 -21,-2.4 -2,-0.8 2,-0.5 -0.897 4.8-165.1-102.4 121.2 -31.2 21.7 67.6 97 98 A V E -ef 75 126B 0 28,-2.4 30,-2.5 -2,-0.6 2,-0.4 -0.937 11.5-143.4-115.1 125.1 -34.4 23.3 66.5 98 99 A L E +ef 76 127B 13 -23,-2.7 -21,-1.0 -2,-0.5 2,-0.3 -0.687 40.7 137.2 -84.4 131.7 -34.8 27.0 65.9 99 100 A S - 0 0 14 28,-2.3 30,-0.1 -2,-0.4 -2,-0.1 -0.885 44.7-162.9-174.9 141.7 -38.1 28.4 66.9 100 101 A S S S+ 0 0 99 -2,-0.3 28,-0.1 28,-0.2 3,-0.1 0.285 98.7 45.4-109.7 6.8 -39.8 31.4 68.7 101 102 A T S S+ 0 0 92 1,-0.2 2,-0.4 2,-0.0 27,-0.1 0.649 104.6 59.2-118.4 -28.8 -43.1 29.5 69.2 102 103 A L - 0 0 55 25,-0.1 -1,-0.2 3,-0.0 2,-0.1 -0.893 63.1-153.8-113.6 136.2 -42.1 26.1 70.4 103 104 A T > - 0 0 70 -2,-0.4 4,-1.4 -3,-0.1 5,-0.1 -0.383 37.8 -99.2 -93.0 175.1 -40.1 25.2 73.6 104 105 A T H > S+ 0 0 45 22,-0.2 4,-1.7 1,-0.2 3,-0.2 0.900 125.5 50.2 -62.4 -40.7 -38.0 22.0 74.0 105 106 A Q H > S+ 0 0 106 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.905 107.3 53.8 -65.1 -40.3 -40.9 20.4 76.0 106 107 A H H > S+ 0 0 101 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.789 106.0 53.7 -63.9 -27.8 -43.3 21.3 73.2 107 108 A L H < S+ 0 0 2 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.895 111.1 46.3 -71.8 -39.2 -41.0 19.5 70.8 108 109 A L H >< S+ 0 0 14 -4,-1.7 3,-1.9 1,-0.2 -2,-0.2 0.900 108.3 54.3 -67.4 -45.5 -41.1 16.4 73.0 109 110 A D H 3< S+ 0 0 90 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.805 98.8 65.1 -61.2 -29.2 -44.9 16.5 73.4 110 111 A G T 3< S+ 0 0 41 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.429 83.6 105.4 -74.6 2.8 -45.2 16.5 69.6 111 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