==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-APR-11 3RPL . COMPND 2 MOLECULE: D-FRUCTOSE 1,6-BISPHOSPHATASE CLASS 2/SEDOHEPTULO . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCYSTIS; . AUTHOR X.HU,D.HUI,F.LINGLING,W.JIAN . 1389 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49659.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1033 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 261 18.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 4 0.3 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 . 92 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 174 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 334 24.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 1.7 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 6 0 4 4 0 0 8 3 1 0 4 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 6 0 0 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 0 PARALLEL BRIDGES PER LADDER . 1 5 7 0 4 4 12 0 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 4 0 0 0 0 0 0 0 0 0 2 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 G 0 0 91 0, 0.0 2,-0.3 0, 0.0 88,-0.1 0.000 360.0 360.0 360.0 95.8 45.1 -54.5 36.9 2 0 A S - 0 0 63 90,-0.1 90,-0.2 1,-0.0 3,-0.1 -0.927 360.0 -68.4-132.0 156.5 46.3 -51.8 34.4 3 1 A V - 0 0 6 -2,-0.3 87,-0.1 1,-0.1 2,-0.1 -0.130 64.2-104.1 -47.3 125.7 45.2 -50.7 30.9 4 2 A D >> - 0 0 28 85,-0.7 3,-1.8 1,-0.2 4,-0.6 -0.306 19.9-141.2 -62.3 123.1 46.0 -53.6 28.6 5 3 A S T >4 S+ 0 0 56 1,-0.3 3,-0.8 2,-0.2 4,-0.2 0.816 100.6 63.7 -51.0 -30.2 49.2 -52.7 26.5 6 4 A T T >> S+ 0 0 9 1,-0.3 4,-2.2 2,-0.2 3,-1.1 0.667 82.8 71.4 -72.8 -30.3 47.5 -54.5 23.6 7 5 A L H <> S+ 0 0 7 -3,-1.8 4,-1.7 1,-0.2 -1,-0.3 0.837 88.6 66.3 -52.8 -39.2 44.6 -52.0 23.4 8 6 A G H << S+ 0 0 7 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.772 109.1 38.1 -56.5 -26.9 47.1 -49.6 22.0 9 7 A L H X4 S+ 0 0 3 -3,-1.1 3,-2.1 -4,-0.2 4,-0.4 0.870 108.8 59.4 -90.2 -44.5 47.4 -51.9 19.0 10 8 A E H >X S+ 0 0 12 -4,-2.2 4,-1.2 1,-0.3 3,-1.1 0.786 90.2 70.5 -59.5 -28.8 43.8 -52.9 18.6 11 9 A I H 3X S+ 0 0 2 -4,-1.7 4,-2.0 1,-0.3 -1,-0.3 0.647 83.7 74.2 -68.2 -10.6 42.5 -49.4 18.1 12 10 A I H <> S+ 0 0 1 -3,-2.1 4,-2.0 2,-0.2 -1,-0.3 0.923 99.4 42.8 -60.1 -47.7 44.2 -49.5 14.8 13 11 A E H <> S+ 0 0 28 -3,-1.1 4,-2.5 -4,-0.4 5,-0.3 0.845 108.6 61.4 -69.5 -33.3 41.5 -51.7 13.4 14 12 A V H X S+ 0 0 0 -4,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.969 112.2 34.2 -57.3 -56.5 38.9 -49.6 15.1 15 13 A V H X S+ 0 0 0 -4,-2.0 4,-3.1 2,-0.2 5,-0.3 0.887 115.7 58.8 -69.6 -35.9 39.7 -46.4 13.2 16 14 A E H X S+ 0 0 1 -4,-2.0 4,-2.4 -5,-0.3 5,-0.2 0.953 109.3 41.6 -55.3 -54.4 40.5 -48.3 10.0 17 15 A Q H X S+ 0 0 83 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.888 115.8 50.8 -64.2 -38.4 37.1 -50.0 9.7 18 16 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 -5,-0.3 5,-0.2 0.954 112.2 45.7 -63.9 -48.8 35.3 -46.8 10.7 19 17 A A H X S+ 0 0 0 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.885 111.2 53.2 -62.9 -39.3 37.2 -44.7 8.1 20 18 A I H X S+ 0 0 16 -4,-2.4 4,-0.9 -5,-0.3 -1,-0.2 0.905 109.8 48.9 -61.2 -42.1 36.7 -47.3 5.4 21 19 A A H >< S+ 0 0 18 -4,-2.0 3,-1.0 1,-0.2 4,-0.2 0.972 114.2 43.8 -61.6 -53.7 33.0 -47.3 6.0 22 20 A S H >< S+ 0 0 0 -4,-2.4 3,-2.2 1,-0.2 -1,-0.2 0.860 104.6 65.5 -59.2 -35.8 32.7 -43.5 5.9 23 21 A A H >< S+ 0 0 0 -4,-2.2 3,-2.0 1,-0.3 -1,-0.2 0.761 85.9 69.2 -65.7 -25.9 34.9 -43.2 2.8 24 22 A K T << S+ 0 0 119 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.656 98.4 54.6 -64.7 -13.7 32.4 -45.1 0.6 25 23 A W T X S+ 0 0 67 -3,-2.2 3,-2.2 -4,-0.2 5,-0.4 0.317 76.6 140.5-103.7 6.6 30.3 -42.0 1.0 26 24 A M T < S- 0 0 2 -3,-2.0 519,-1.8 1,-0.3 82,-0.2 -0.278 80.9 -2.4 -52.6 118.9 33.0 -39.5 -0.2 27 25 A G T 3 S+ 0 0 0 80,-2.8 -1,-0.3 517,-0.2 81,-0.2 0.511 96.7 121.5 79.5 5.3 31.5 -36.8 -2.4 28 26 A K S < S- 0 0 56 -3,-2.2 -2,-0.1 79,-0.3 81,-0.1 0.491 77.1-124.2 -85.1 -4.1 28.1 -38.4 -2.1 29 27 A G S S+ 0 0 36 79,-2.2 2,-0.6 -4,-0.3 79,-0.1 0.577 76.7 112.0 78.4 9.2 26.6 -35.3 -0.6 30 28 A E > + 0 0 86 -5,-0.4 4,-1.8 1,-0.1 -2,-0.1 -0.878 35.2 174.4-121.5 100.2 25.3 -37.0 2.5 31 29 A K H > S+ 0 0 95 -2,-0.6 4,-1.1 2,-0.2 -1,-0.1 0.732 81.2 50.7 -79.9 -22.6 27.0 -35.9 5.7 32 30 A N H > S+ 0 0 97 2,-0.2 4,-3.6 3,-0.2 -1,-0.2 0.882 109.9 49.7 -80.3 -40.1 24.8 -37.8 8.1 33 31 A T H > S+ 0 0 28 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.935 110.4 50.2 -59.4 -48.6 25.2 -41.0 6.2 34 32 A A H X S+ 0 0 0 -4,-1.8 4,-1.1 1,-0.2 -1,-0.2 0.899 116.1 44.5 -57.7 -39.3 28.9 -40.6 6.1 35 33 A D H X S+ 0 0 32 -4,-1.1 4,-2.7 2,-0.2 3,-0.3 0.964 110.4 52.4 -65.7 -53.9 28.7 -40.0 9.9 36 34 A Q H X S+ 0 0 112 -4,-3.6 4,-2.9 1,-0.2 5,-0.2 0.870 108.8 48.8 -56.6 -44.4 26.3 -42.8 10.7 37 35 A V H X S+ 0 0 39 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.851 111.5 49.1 -68.0 -36.2 28.3 -45.6 9.0 38 36 A A H X S+ 0 0 0 -4,-1.1 4,-2.9 -3,-0.3 5,-0.3 0.949 112.0 50.4 -63.7 -49.1 31.6 -44.5 10.7 39 37 A V H X S+ 0 0 6 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.964 113.4 44.5 -49.0 -58.3 29.7 -44.5 14.1 40 38 A E H X S+ 0 0 105 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.933 115.1 47.3 -57.8 -47.2 28.3 -48.0 13.6 41 39 A A H X S+ 0 0 19 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.894 112.2 49.1 -62.8 -41.3 31.6 -49.4 12.3 42 40 A M H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.932 114.5 46.3 -64.3 -44.3 33.6 -47.9 15.2 43 41 A R H X S+ 0 0 75 -4,-2.5 4,-2.1 -5,-0.3 -2,-0.2 0.934 111.8 50.1 -61.0 -49.0 31.1 -49.2 17.7 44 42 A E H < S+ 0 0 105 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.911 113.4 45.7 -58.9 -44.1 30.9 -52.7 16.2 45 43 A R H >< S+ 0 0 32 -4,-2.2 3,-1.1 1,-0.2 -1,-0.2 0.868 111.1 52.1 -72.2 -35.7 34.7 -53.0 16.1 46 44 A M H >< S+ 0 0 2 -4,-2.3 3,-1.7 1,-0.2 30,-0.3 0.849 102.4 61.4 -63.3 -34.2 35.1 -51.7 19.7 47 45 A N T 3< S+ 0 0 48 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.479 97.8 57.9 -77.3 0.5 32.5 -54.3 20.9 48 46 A K T < S+ 0 0 125 -3,-1.1 2,-0.4 -4,-0.1 -1,-0.3 0.357 88.4 97.0-103.6 1.9 34.8 -57.1 19.7 49 47 A I S < S- 0 0 1 -3,-1.7 27,-2.8 -4,-0.1 2,-2.2 -0.747 81.9-122.1 -93.6 137.2 37.6 -55.9 21.9 50 48 A H S S+ 0 0 52 -2,-0.4 2,-0.3 25,-0.2 37,-0.1 -0.537 74.3 111.2 -73.7 80.8 38.3 -57.4 25.3 51 49 A M - 0 0 6 -2,-2.2 26,-1.2 -5,-0.2 2,-0.4 -0.934 66.5-129.5-147.4 168.2 37.9 -54.1 27.2 52 50 A R E +a 93 0A 99 40,-0.7 42,-2.3 -2,-0.3 2,-0.3 -0.727 42.3 170.0-125.8 83.5 35.6 -52.4 29.6 53 51 A G E -aB 94 74A 2 21,-2.6 21,-2.1 -2,-0.4 2,-0.4 -0.645 26.4-163.0-106.4 151.3 34.8 -49.0 28.2 54 52 A R E -aB 95 73A 95 40,-2.0 42,-2.4 -2,-0.3 2,-0.5 -0.997 26.2-126.9-124.8 126.0 32.4 -46.1 28.9 55 53 A I E +a 96 0A 1 17,-2.1 16,-2.8 -2,-0.4 42,-0.2 -0.599 35.7 163.2 -68.2 118.6 31.7 -43.4 26.3 56 54 A V E S+ 0 0 11 40,-2.1 2,-0.4 -2,-0.5 41,-0.2 0.553 73.6 36.0-109.6 -16.6 32.3 -39.9 27.8 57 55 A I E S+a 97 0A 6 39,-1.3 41,-2.7 12,-0.1 -1,-0.3 -0.989 88.7 99.3-133.1 127.4 32.5 -38.0 24.5 58 56 A G S S- 0 0 27 -2,-0.4 11,-0.2 39,-0.2 10,-0.1 -0.768 76.6 -32.9-171.7-145.1 30.3 -39.1 21.6 59 57 A E S S- 0 0 57 9,-2.1 2,-0.3 8,-0.3 10,-0.2 0.507 93.7 -78.6 -86.9 -5.8 27.2 -38.7 19.6 60 58 A G - 0 0 20 8,-0.4 10,-2.9 5,-0.1 -1,-0.2 -0.870 65.7 -33.9 136.8-174.3 24.8 -37.3 22.2 61 59 A E >> - 0 0 116 -2,-0.3 4,-2.6 8,-0.2 3,-1.2 -0.405 65.2 -92.4 -79.5 156.6 22.7 -38.5 25.1 62 60 A R T 34 S+ 0 0 180 8,-0.5 -1,-0.1 1,-0.2 5,-0.0 -0.414 116.4 37.1 -61.4 146.3 20.8 -41.8 25.4 63 61 A D T 34 S+ 0 0 165 2,-0.3 -1,-0.2 1,-0.1 -2,-0.1 0.556 124.9 47.3 75.0 12.0 17.2 -41.4 24.2 64 62 A D T <4 S+ 0 0 128 -3,-1.2 -2,-0.2 1,-0.5 -1,-0.1 0.364 108.4 43.2-136.8 -63.9 18.6 -39.1 21.5 65 63 A A < - 0 0 10 -4,-2.6 -1,-0.5 1,-0.1 -2,-0.3 -0.784 65.4-156.6 -87.4 127.8 21.7 -40.7 19.9 66 64 A P S S+ 0 0 104 0, 0.0 2,-0.4 0, 0.0 3,-0.2 0.815 74.2 39.0 -71.4 -30.3 21.2 -44.4 19.1 67 65 A M S S+ 0 0 35 1,-0.2 -8,-0.3 -8,-0.0 -27,-0.1 -0.968 119.5 2.0-133.8 136.8 24.9 -45.3 19.1 68 66 A L S S+ 0 0 0 -2,-0.4 -9,-2.1 1,-0.1 -8,-0.4 0.913 83.1 167.6 58.2 42.5 28.0 -44.3 21.1 69 67 A Y > - 0 0 52 -11,-0.2 3,-2.0 -10,-0.2 -14,-0.3 -0.407 48.9 -72.4 -78.0 161.9 25.8 -42.1 23.3 70 68 A I T 3 S+ 0 0 58 -10,-2.9 -8,-0.5 1,-0.3 -14,-0.2 -0.391 122.5 14.9 -56.6 122.4 27.1 -40.7 26.6 71 69 A G T 3 S+ 0 0 37 -16,-2.8 -1,-0.3 1,-0.3 -15,-0.1 0.169 87.5 145.9 97.5 -16.2 27.4 -43.5 29.2 72 70 A E < - 0 0 11 -3,-2.0 -17,-2.1 -17,-0.1 2,-0.4 -0.259 46.7-130.3 -55.8 134.2 27.1 -46.3 26.7 73 71 A E E -B 54 0A 129 -19,-0.2 2,-0.4 -3,-0.1 -19,-0.2 -0.729 28.9-177.8 -86.9 135.9 29.1 -49.4 27.6 74 72 A V E +B 53 0A 0 -21,-2.1 -21,-2.6 -2,-0.4 -27,-0.1 -0.987 34.9 53.9-133.1 145.1 31.4 -50.8 24.9 75 73 A G S > S- 0 0 3 -2,-0.4 3,-1.2 -23,-0.2 -25,-0.2 -0.114 81.2 -92.3 113.0 150.1 33.6 -53.8 24.9 76 74 A I G > S+ 0 0 28 -27,-2.8 3,-1.6 -30,-0.3 -26,-0.2 0.889 118.4 61.0 -60.1 -41.1 33.4 -57.5 25.6 77 75 A a G 3 S+ 0 0 1 -26,-1.2 -1,-0.3 -28,-0.4 -25,-0.2 0.205 85.6 75.3 -80.8 17.9 34.4 -57.1 29.3 78 76 A T G < S+ 0 0 30 -3,-1.2 -1,-0.3 -27,-0.3 -2,-0.1 0.463 76.5 110.3 -96.5 -5.4 31.4 -54.8 30.1 79 77 A R S X S- 0 0 163 -3,-1.6 3,-1.5 -4,-0.1 4,-0.2 -0.215 82.7-110.2 -71.9 160.4 29.2 -57.9 30.1 80 78 A E T 3 S+ 0 0 116 1,-0.3 3,-0.3 2,-0.1 -1,-0.1 0.878 116.8 39.6 -60.3 -43.1 27.6 -59.5 33.1 81 79 A D T >> S+ 0 0 71 1,-0.2 3,-2.1 2,-0.1 4,-0.6 0.102 79.2 128.2 -94.0 25.5 29.7 -62.6 33.3 82 80 A A H X> + 0 0 12 -3,-1.5 4,-1.8 1,-0.3 3,-1.2 0.810 59.3 66.0 -55.2 -42.0 32.9 -60.8 32.3 83 81 A K H 34 S+ 0 0 88 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.752 99.8 57.4 -54.0 -22.3 35.1 -62.0 35.2 84 82 A S H <4 S+ 0 0 114 -3,-2.1 -1,-0.3 1,-0.1 -2,-0.2 0.852 120.4 22.7 -73.9 -36.5 34.7 -65.4 33.6 85 83 A F H << S+ 0 0 61 -3,-1.2 2,-0.4 -4,-0.6 -2,-0.2 0.351 112.7 71.6-116.5 4.8 36.2 -64.5 30.2 86 84 A a < - 0 0 12 -4,-1.8 -1,-0.0 -9,-0.1 -35,-0.0 -0.978 67.3-134.5-130.1 135.1 38.3 -61.4 30.8 87 85 A N > - 0 0 28 -2,-0.4 4,-1.3 -37,-0.1 -2,-0.1 -0.249 37.2 -97.8 -77.9 169.2 41.7 -60.9 32.6 88 86 A P H > S+ 0 0 91 0, 0.0 4,-0.5 0, 0.0 3,-0.2 0.872 123.8 50.6 -58.3 -43.3 42.4 -58.2 35.2 89 87 A D H >4 S+ 0 0 58 1,-0.2 3,-0.8 2,-0.2 -85,-0.7 0.890 112.0 49.2 -59.3 -39.9 44.1 -55.8 32.7 90 88 A E H 34 S+ 0 0 15 1,-0.2 -1,-0.2 -87,-0.1 -13,-0.2 0.729 106.1 57.3 -70.9 -22.4 41.1 -56.3 30.4 91 89 A L H 3< S+ 0 0 40 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.512 76.3 119.6 -90.4 -5.1 38.6 -55.5 33.2 92 90 A V S << S- 0 0 29 -3,-0.8 -40,-0.7 -4,-0.5 2,-0.5 -0.358 71.5-115.6 -58.9 135.6 40.1 -52.1 34.0 93 91 A E E -a 52 0A 87 -42,-0.1 30,-2.2 30,-0.1 2,-0.4 -0.659 39.5-176.5 -81.4 125.1 37.5 -49.4 33.5 94 92 A I E -aC 53 122A 5 -42,-2.3 -40,-2.0 -2,-0.5 2,-0.4 -0.915 21.3-136.8-123.5 145.3 38.4 -47.0 30.7 95 93 A D E -aC 54 121A 4 26,-2.8 26,-2.2 -2,-0.4 2,-0.4 -0.849 21.5-159.2-100.1 143.3 36.8 -43.8 29.4 96 94 A I E -aC 55 120A 0 -42,-2.4 -40,-2.1 -2,-0.4 -39,-1.3 -0.980 11.2-160.5-131.1 124.1 36.6 -43.4 25.7 97 95 A A E -aC 57 119A 0 22,-2.8 22,-2.4 -2,-0.4 2,-0.4 -0.934 20.7-168.8-100.8 122.9 36.1 -40.2 23.6 98 96 A V E + C 0 118A 3 -41,-2.7 20,-0.2 -2,-0.5 132,-0.1 -0.896 29.4 168.0-115.4 142.9 34.9 -41.0 20.0 99 97 A D E > + C 0 117A 18 18,-2.8 18,-2.0 -2,-0.4 3,-0.6 -0.621 14.3 177.7-140.1 79.8 34.6 -38.8 17.0 100 98 A P E 3 S+ 0 0 0 0, 0.0 2,-0.3 0, 0.0 -78,-0.1 0.770 78.5 23.3 -60.2 -33.5 33.9 -41.5 14.4 101 99 A C E 3 S- 0 0 3 15,-0.1 2,-0.8 16,-0.1 3,-0.5 -0.770 72.9-175.9-134.1 87.6 33.5 -39.0 11.5 102 100 A E E < S+ C 0 115A 8 13,-2.9 13,-1.4 -3,-0.6 98,-0.1 -0.766 78.3 25.7 -86.5 112.8 35.3 -35.8 12.2 103 101 A G > + 0 0 9 -2,-0.8 4,-2.0 11,-0.2 -1,-0.2 0.820 69.0 176.2 94.5 52.8 34.5 -33.5 9.3 104 102 A T H > S+ 0 0 35 -3,-0.5 4,-2.2 1,-0.2 5,-0.1 0.888 82.0 47.5 -56.1 -42.3 31.2 -35.0 8.1 105 103 A N H > S+ 0 0 57 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.828 105.5 58.6 -72.5 -28.6 30.7 -32.3 5.5 106 104 A L H >>S+ 0 0 4 2,-0.2 5,-3.1 1,-0.2 4,-0.6 0.951 110.0 44.7 -59.1 -46.4 34.3 -32.7 4.3 107 105 A V H ><5S+ 0 0 0 -4,-2.0 -80,-2.8 1,-0.2 3,-1.5 0.952 110.7 53.1 -60.8 -50.0 33.4 -36.3 3.6 108 106 A A H 3<5S+ 0 0 1 -4,-2.2 -79,-2.2 1,-0.3 -1,-0.2 0.821 117.8 38.2 -53.7 -35.7 30.1 -35.4 2.0 109 107 A Y H 3<5S- 0 0 80 -4,-1.8 438,-2.4 -81,-0.1 -1,-0.3 0.411 109.4-119.7 -97.5 -0.1 32.0 -33.0 -0.3 110 108 A G T <<5 + 0 0 4 -3,-1.5 2,-0.3 -4,-0.6 -3,-0.2 0.908 64.4 146.9 57.7 42.9 35.0 -35.2 -0.9 111 109 A Q < - 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