==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-NOV-08 2W43 . COMPND 2 MOLECULE: HYPOTHETICAL 2-HALOALKANOIC ACID DEHALOGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS TOKODAII; . AUTHOR C.A.RYE,M.N.ISUPOV,A.A.LEBEDEV,J.A.LITTLECHILD . 401 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18004.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 304 75.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.5 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 . 2 0.5 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 . 25 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 147 36.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 3.5 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 0 0 0 2 0 4 3 3 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 4 6 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 0 PARALLEL BRIDGES PER LADDER . 0 2 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 195 0, 0.0 2,-0.4 0, 0.0 88,-0.1 0.000 360.0 360.0 360.0 130.6 -9.5 -26.2 -17.6 2 2 A I - 0 0 11 86,-0.3 88,-2.9 2,-0.0 2,-0.5 -0.997 360.0-157.7-132.6 131.4 -11.6 -23.2 -16.7 3 3 A I E -a 90 0A 18 -2,-0.4 144,-2.9 142,-0.2 2,-0.4 -0.945 11.0-169.3-110.9 126.4 -11.5 -21.3 -13.5 4 4 A L E -ab 91 147A 0 86,-3.1 88,-2.6 -2,-0.5 2,-0.6 -0.966 9.6-166.5-118.5 129.9 -14.5 -19.3 -12.5 5 5 A A E -ab 92 148A 0 142,-3.1 144,-2.8 -2,-0.4 2,-0.5 -0.964 18.9-150.4-116.0 114.1 -14.7 -16.8 -9.6 6 6 A F E -ab 93 149A 0 86,-3.1 88,-2.7 -2,-0.6 144,-0.2 -0.722 8.3-137.8 -90.6 125.6 -18.3 -15.8 -8.9 7 7 A D - 0 0 8 142,-2.9 88,-0.2 -2,-0.5 5,-0.1 -0.417 22.1-158.3 -60.2 155.4 -19.3 -12.5 -7.5 8 8 A I >>> + 0 0 0 86,-0.2 5,-2.5 1,-0.2 4,-1.9 0.854 62.8 65.5-110.5 -64.2 -22.0 -13.2 -4.8 9 9 A F B 345S+f 13 0B 3 1,-0.3 -1,-0.2 2,-0.2 5,-0.1 -0.548 123.1 2.6 -75.5 112.8 -24.4 -10.3 -3.9 10 10 A G T 345S+ 0 0 8 3,-2.3 -1,-0.3 -2,-0.7 4,-0.1 0.285 132.4 59.4 96.4 -7.4 -26.5 -9.5 -7.0 11 11 A T T <45S+ 0 0 0 -3,-1.4 -3,-0.2 139,-0.1 -2,-0.2 0.736 125.5 7.2-113.0 -56.1 -24.9 -12.4 -9.0 12 12 A V T <5S+ 0 0 0 -4,-1.9 64,-2.3 1,-0.2 2,-0.4 0.839 132.1 52.3 -91.3 -48.3 -25.7 -15.5 -7.1 13 13 A L E - G 0 74B 41 60,-2.8 3,-0.5 -2,-0.4 60,-0.5 -0.745 18.7-172.8 -88.9 117.7 -30.9 -11.8 -5.5 15 15 A T G > + 0 0 15 -2,-0.6 3,-1.5 1,-0.2 -1,-0.1 0.322 58.8 102.3 -94.4 10.5 -30.8 -8.5 -3.6 16 16 A S G 3 S+ 0 0 72 1,-0.3 -1,-0.2 3,-0.0 4,-0.2 0.719 70.9 67.4 -64.8 -19.4 -34.2 -7.3 -4.8 17 17 A T G < S+ 0 0 80 -3,-0.5 -1,-0.3 57,-0.1 2,-0.2 0.476 93.3 67.3 -83.6 -4.8 -35.8 -8.3 -1.5 18 18 A V S < S- 0 0 9 -3,-1.5 2,-0.3 51,-0.1 49,-0.1 -0.683 105.9 -73.9-108.8 170.6 -33.9 -5.6 0.6 19 19 A I >> - 0 0 23 -2,-0.2 4,-2.2 1,-0.2 3,-0.7 -0.432 39.9-147.4 -68.1 121.1 -34.3 -1.8 0.5 20 20 A Q H 3> S+ 0 0 78 -2,-0.3 4,-2.9 1,-0.3 5,-0.2 0.880 96.4 57.4 -60.5 -37.0 -32.6 -0.7 -2.7 21 21 A E H 3> S+ 0 0 97 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.835 107.9 49.4 -62.8 -32.3 -31.4 2.6 -1.3 22 22 A F H <> S+ 0 0 2 -3,-0.7 4,-2.7 2,-0.2 5,-0.2 0.914 109.1 50.4 -70.6 -47.8 -29.6 0.5 1.4 23 23 A R H X S+ 0 0 22 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.943 113.2 47.7 -56.8 -42.6 -27.9 -1.8 -1.2 24 24 A N H X S+ 0 0 80 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.920 112.6 47.2 -62.1 -42.9 -26.8 1.3 -3.0 25 25 A K H X S+ 0 0 48 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.882 109.7 54.2 -68.6 -37.7 -25.4 3.0 0.1 26 26 A Q H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.952 112.0 44.7 -59.8 -46.6 -23.6 -0.2 1.2 27 27 A L H X S+ 0 0 25 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.949 112.0 51.3 -64.0 -50.0 -21.9 -0.4 -2.2 28 28 A E H X S+ 0 0 59 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.890 107.7 53.4 -54.6 -39.8 -21.0 3.3 -2.2 29 29 A Y H X S+ 0 0 26 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.906 103.8 55.5 -66.9 -40.1 -19.5 3.1 1.3 30 30 A T H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 97,-0.4 0.923 112.3 45.1 -55.4 -40.7 -17.2 0.2 0.1 31 31 A W H X S+ 0 0 3 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.929 112.7 48.0 -68.4 -47.3 -15.9 2.5 -2.6 32 32 A L H X S+ 0 0 23 -4,-2.7 4,-2.6 1,-0.2 6,-0.2 0.924 111.7 50.5 -64.8 -41.0 -15.5 5.6 -0.4 33 33 A L H X>S+ 0 0 4 -4,-2.8 5,-2.5 1,-0.2 4,-0.9 0.933 110.3 50.6 -58.5 -46.8 -13.6 3.6 2.2 34 34 A T H ><5S+ 0 0 17 -4,-1.9 3,-0.7 -5,-0.3 -2,-0.2 0.916 111.7 46.5 -58.8 -46.1 -11.3 2.1 -0.4 35 35 A I H 3<5S+ 0 0 13 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.908 111.6 52.2 -63.5 -42.1 -10.5 5.6 -1.9 36 36 A M H 3<5S- 0 0 9 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.612 112.2-119.9 -69.1 -13.9 -9.9 7.0 1.6 37 37 A G T <<5S+ 0 0 64 -4,-0.9 2,-0.3 -3,-0.7 -3,-0.2 0.742 72.5 128.4 78.3 26.0 -7.5 4.2 2.5 38 38 A K < - 0 0 97 -5,-2.5 2,-0.4 -6,-0.2 -1,-0.3 -0.789 46.0-148.3-116.7 153.9 -9.7 3.2 5.3 39 39 A Y + 0 0 66 -2,-0.3 2,-0.3 -3,-0.1 87,-0.1 -0.988 20.1 166.0-133.3 132.0 -11.1 -0.2 6.2 40 40 A V - 0 0 34 -2,-0.4 5,-0.0 -10,-0.1 -7,-0.0 -0.983 44.7-105.0-134.2 135.5 -14.3 -1.3 7.9 41 41 A E >> - 0 0 83 -2,-0.3 4,-2.3 1,-0.1 3,-0.6 -0.279 30.4-116.1 -61.7 151.2 -15.5 -5.0 7.7 42 42 A F H 3> S+ 0 0 1 54,-0.3 4,-2.7 1,-0.3 5,-0.2 0.868 113.1 57.3 -60.2 -38.5 -18.4 -5.7 5.3 43 43 A E H 3> S+ 0 0 82 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.885 109.9 46.1 -58.7 -38.7 -20.8 -6.8 8.1 44 44 A E H <> S+ 0 0 76 -3,-0.6 4,-2.8 2,-0.2 5,-0.3 0.903 109.0 53.4 -75.1 -38.7 -20.3 -3.4 9.8 45 45 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.929 109.0 52.0 -54.6 -46.5 -20.7 -1.5 6.5 46 46 A T H X S+ 0 0 3 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.939 112.6 43.5 -56.7 -50.7 -24.0 -3.3 6.1 47 47 A K H X S+ 0 0 65 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.907 115.5 47.9 -61.5 -43.3 -25.2 -2.4 9.6 48 48 A I H X S+ 0 0 51 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.925 115.4 43.4 -67.4 -45.0 -24.0 1.2 9.4 49 49 A T H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.3 5,-0.2 0.906 113.6 50.4 -72.7 -40.5 -25.5 1.9 6.0 50 50 A L H X S+ 0 0 1 -4,-2.4 4,-2.7 -5,-0.3 5,-0.2 0.943 111.3 49.5 -58.5 -46.1 -28.8 0.1 6.7 51 51 A R H X S+ 0 0 100 -4,-2.3 4,-2.9 -5,-0.2 -2,-0.2 0.927 110.7 50.1 -62.2 -42.8 -29.2 2.1 9.9 52 52 A Y H X S+ 0 0 45 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.950 111.9 47.0 -59.2 -49.3 -28.5 5.4 8.1 53 53 A I H X S+ 0 0 19 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.924 113.5 48.1 -62.8 -45.1 -31.1 4.7 5.4 54 54 A L H <>S+ 0 0 1 -4,-2.7 5,-3.1 -5,-0.2 6,-0.3 0.922 109.7 52.5 -61.3 -44.4 -33.7 3.7 7.8 55 55 A K H ><5S+ 0 0 108 -4,-2.9 3,-1.6 4,-0.3 -1,-0.2 0.906 105.3 55.7 -56.4 -43.4 -33.2 6.7 10.0 56 56 A V H 3<5S+ 0 0 86 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.917 111.7 43.3 -55.8 -43.1 -33.6 9.0 7.0 57 57 A R T 3<5S- 0 0 115 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.225 118.6-107.4 -92.6 15.7 -37.0 7.5 6.3 58 58 A G T < 5S+ 0 0 64 -3,-1.6 -3,-0.2 -4,-0.1 3,-0.1 0.798 90.9 109.8 71.1 30.4 -38.2 7.5 9.9 59 59 A E > < + 0 0 74 -5,-3.1 3,-2.4 -6,-0.2 -4,-0.3 -0.012 18.8 129.0-131.4 32.7 -37.9 3.7 10.2 60 60 A E G > S+ 0 0 72 -6,-0.3 3,-1.9 1,-0.3 -5,-0.1 0.834 70.1 69.0 -61.2 -28.3 -34.9 3.0 12.5 61 61 A S G 3 S+ 0 0 112 1,-0.3 3,-0.3 -3,-0.1 -1,-0.3 0.689 91.3 61.7 -60.9 -19.7 -37.2 0.7 14.6 62 62 A K G <> S+ 0 0 75 -3,-2.4 4,-2.8 1,-0.2 5,-0.3 0.358 70.7 108.8 -88.7 5.3 -37.2 -1.7 11.6 63 63 A F H <> S+ 0 0 16 -3,-1.9 4,-2.8 1,-0.2 5,-0.3 0.905 79.2 43.5 -51.3 -54.1 -33.5 -2.3 11.8 64 64 A D H > S+ 0 0 128 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.932 115.2 50.1 -59.4 -43.7 -33.6 -5.9 13.1 65 65 A E H > S+ 0 0 107 -4,-0.3 4,-1.1 1,-0.2 -1,-0.2 0.895 114.7 43.5 -59.9 -43.8 -36.4 -6.8 10.6 66 66 A E H X S+ 0 0 20 -4,-2.8 4,-1.5 2,-0.2 -1,-0.2 0.863 111.5 52.3 -74.2 -37.4 -34.5 -5.4 7.6 67 67 A L H X S+ 0 0 16 -4,-2.8 4,-2.4 -5,-0.3 -2,-0.2 0.889 104.8 58.3 -64.8 -35.7 -31.2 -6.9 8.6 68 68 A N H X S+ 0 0 102 -4,-2.3 4,-1.5 -5,-0.3 -1,-0.2 0.857 101.7 54.5 -59.9 -36.4 -32.9 -10.2 8.9 69 69 A K H < S+ 0 0 83 -4,-1.1 -1,-0.2 2,-0.2 -2,-0.2 0.900 107.3 50.4 -64.3 -39.4 -34.0 -9.9 5.2 70 70 A W H >< S+ 0 0 3 -4,-1.5 3,-1.3 1,-0.2 -2,-0.2 0.937 110.0 49.9 -61.1 -44.9 -30.3 -9.4 4.3 71 71 A K H 3< S+ 0 0 101 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.845 112.6 49.8 -59.7 -28.6 -29.4 -12.5 6.3 72 72 A N T 3< S+ 0 0 72 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 -0.005 75.5 152.8-106.1 25.6 -32.2 -14.4 4.4 73 73 A L < - 0 0 1 -3,-1.3 2,-0.3 1,-0.1 -58,-0.1 -0.300 35.5-139.3 -57.1 140.3 -31.3 -13.4 0.8 74 74 A K E -G 14 0B 109 -60,-0.5 -60,-2.8 1,-0.0 -57,-0.1 -0.808 14.0-118.3-102.8 146.7 -32.4 -16.1 -1.7 75 75 A A E -G 13 0B 23 -2,-0.3 -62,-0.3 -62,-0.3 -63,-0.1 -0.420 37.7 -93.8 -75.7 152.9 -30.4 -17.2 -4.7 76 76 A Y > - 0 0 56 -64,-2.3 3,-1.9 1,-0.1 4,-0.2 -0.359 35.7-116.3 -61.0 148.5 -31.6 -16.6 -8.3 77 77 A E G > S+ 0 0 131 1,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.876 112.5 59.9 -56.9 -38.6 -33.4 -19.7 -9.7 78 78 A D G > S+ 0 0 17 1,-0.3 3,-1.9 2,-0.1 -1,-0.3 0.609 79.9 86.5 -72.0 -8.6 -30.8 -20.2 -12.4 79 79 A T G X + 0 0 6 -3,-1.9 3,-2.5 1,-0.3 -1,-0.3 0.668 65.0 85.8 -68.9 -10.1 -28.1 -20.7 -9.8 80 80 A K G X S+ 0 0 109 -3,-1.5 3,-1.8 1,-0.3 4,-0.4 0.796 75.1 72.7 -55.6 -27.0 -29.1 -24.4 -9.7 81 81 A Y G <> + 0 0 45 -3,-1.9 4,-3.1 1,-0.3 -1,-0.3 0.559 69.6 86.2 -67.9 -6.6 -26.7 -24.7 -12.7 82 82 A L H <> S+ 0 0 0 -3,-2.5 4,-2.3 2,-0.2 -1,-0.3 0.810 84.3 61.3 -61.3 -24.6 -23.8 -24.3 -10.2 83 83 A K H <> S+ 0 0 83 -3,-1.8 4,-0.7 -4,-0.2 -1,-0.2 0.995 111.1 34.3 -62.1 -59.4 -24.2 -28.0 -9.9 84 84 A E H >> S+ 0 0 60 -4,-0.4 3,-0.7 1,-0.2 4,-0.6 0.871 118.1 54.0 -63.2 -38.6 -23.5 -28.8 -13.5 85 85 A I H >X S+ 0 0 0 -4,-3.1 4,-1.4 1,-0.2 3,-1.3 0.915 104.5 53.6 -64.2 -40.6 -21.0 -25.9 -13.8 86 86 A S H 3< S+ 0 0 35 -4,-2.3 -1,-0.2 1,-0.3 5,-0.2 0.647 100.4 62.8 -73.6 -12.5 -18.9 -27.1 -10.9 87 87 A E H << S+ 0 0 132 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.712 118.7 25.0 -79.5 -18.3 -18.6 -30.6 -12.5 88 88 A I H << S+ 0 0 49 -3,-1.3 2,-0.3 -4,-0.6 -86,-0.3 0.419 123.8 43.8-126.7 -1.7 -16.8 -29.2 -15.5 89 89 A A S < S- 0 0 11 -4,-1.4 2,-0.7 -5,-0.1 -86,-0.2 -0.953 83.8-105.3-143.1 157.7 -15.2 -26.0 -14.2 90 90 A E E -a 3 0A 52 -88,-2.9 -86,-3.1 -2,-0.3 2,-0.5 -0.796 43.2-156.6 -86.7 112.9 -13.3 -24.9 -11.0 91 91 A V E +a 4 0A 3 -2,-0.7 25,-3.4 23,-0.3 26,-0.8 -0.827 21.1 161.3-105.0 122.9 -15.8 -22.9 -9.1 92 92 A Y E -ac 5 117A 18 -88,-2.6 -86,-3.1 -2,-0.5 2,-0.4 -0.860 31.6-127.7-128.0 162.8 -14.8 -20.2 -6.5 93 93 A A E -ac 6 118A 0 24,-1.9 26,-2.2 -2,-0.3 2,-0.4 -0.919 19.3-177.9-106.6 141.7 -16.5 -17.3 -4.8 94 94 A L E + c 0 119A 1 -88,-2.7 2,-0.3 -2,-0.4 -86,-0.2 -0.894 23.8 152.0-137.9 108.5 -14.9 -13.8 -4.8 95 95 A S E - c 0 120A 2 24,-2.0 26,-2.4 -2,-0.4 27,-0.3 -0.910 57.9-125.1-136.6 154.9 -16.9 -11.3 -2.9 96 96 A N S S+ 0 0 8 -2,-0.3 -54,-0.3 24,-0.2 26,-0.2 0.740 91.6 92.3 -64.6 -25.5 -16.7 -8.1 -0.9 97 97 A G S S- 0 0 0 1,-0.1 -2,-0.3 22,-0.1 25,-0.3 -0.334 92.9 -91.5 -71.1 157.5 -18.5 -10.1 1.8 98 98 A S > - 0 0 20 1,-0.1 4,-2.8 22,-0.1 5,-0.2 -0.265 31.5-115.8 -64.1 154.6 -16.5 -11.9 4.5 99 99 A I H > S+ 0 0 55 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.927 117.2 48.9 -52.9 -46.7 -15.6 -15.6 3.8 100 100 A N H > S+ 0 0 114 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.895 111.3 47.3 -66.4 -40.0 -17.8 -16.6 6.8 101 101 A E H > S+ 0 0 18 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.931 112.3 49.9 -65.7 -44.8 -20.8 -14.5 5.7 102 102 A V H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.936 109.5 51.4 -61.6 -43.4 -20.6 -15.8 2.1 103 103 A K H X S+ 0 0 88 -4,-2.6 4,-2.8 -5,-0.2 -1,-0.2 0.921 108.8 52.8 -58.0 -42.2 -20.4 -19.4 3.4 104 104 A Q H X S+ 0 0 109 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.936 111.3 44.5 -56.6 -50.9 -23.5 -18.8 5.5 105 105 A H H X S+ 0 0 1 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.890 114.3 49.1 -63.9 -42.6 -25.6 -17.5 2.6 106 106 A L H <>S+ 0 0 0 -4,-2.5 5,-2.9 -5,-0.2 6,-0.7 0.922 112.0 48.6 -65.6 -42.1 -24.5 -20.2 0.2 107 107 A E H ><5S+ 0 0 132 -4,-2.8 3,-1.6 -5,-0.2 -2,-0.2 0.917 108.8 53.3 -60.6 -44.1 -25.2 -22.9 2.8 108 108 A R H 3<5S+ 0 0 109 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.866 112.8 45.2 -60.6 -34.0 -28.7 -21.5 3.5 109 109 A N T 3<5S- 0 0 44 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.322 115.0-115.3 -94.8 6.0 -29.4 -21.6 -0.2 110 110 A G T < 5S+ 0 0 47 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.791 88.7 105.5 67.7 29.5 -28.0 -25.2 -0.7 111 111 A L > < + 0 0 9 -5,-2.9 3,-1.6 -6,-0.1 4,-0.3 0.488 41.5 93.1-116.1 -8.9 -25.1 -24.0 -2.9 112 112 A L G > S+ 0 0 44 -6,-0.7 3,-2.2 1,-0.3 -5,-0.1 0.863 77.3 66.0 -59.2 -35.8 -22.0 -24.2 -0.7 113 113 A R G 3 S+ 0 0 202 1,-0.3 -1,-0.3 -7,-0.1 -2,-0.1 0.720 93.0 62.7 -60.9 -20.5 -21.1 -27.7 -1.8 114 114 A Y G < S+ 0 0 52 -3,-1.6 2,-0.5 2,-0.0 -1,-0.3 0.561 86.2 91.5 -80.3 -8.4 -20.5 -26.4 -5.4 115 115 A F < - 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