==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATOR 29-JUL-09 3IH4 . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR, TETR FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR K.D.KOCLEGA,M.CHRUSZCZ,G.BUJACZ,A.JOACHIMIAK,W.MINOR,MIDWEST . 202 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12062.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 166 82.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.0 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 . 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 . 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 . 3 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 137 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.5 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 1 2 0 0 0 0 0 0 0 1 0 1 0 0 0 1 0 0 1 1 1 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 122 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 73.1 -30.1 -8.5 -9.9 2 0 A H - 0 0 190 1,-0.1 2,-0.2 3,-0.0 3,-0.0 -0.224 360.0-174.3 -75.0 141.8 -26.4 -8.8 -8.9 3 1 A X - 0 0 171 1,-0.1 2,-0.2 -2,-0.0 3,-0.1 -0.618 43.0 -73.8-112.6 179.3 -23.9 -11.7 -9.5 4 2 A L - 0 0 88 -2,-0.2 -1,-0.1 1,-0.1 5,-0.0 -0.519 55.9-102.4 -68.2 141.4 -20.4 -12.2 -8.4 5 3 A S > - 0 0 63 -2,-0.2 4,-1.7 1,-0.1 5,-0.2 -0.169 38.6-105.1 -49.1 162.5 -17.8 -10.1 -10.2 6 4 A K H > S+ 0 0 96 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.835 121.5 54.4 -69.5 -30.0 -15.9 -12.2 -12.8 7 5 A R H > S+ 0 0 94 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.906 110.4 44.1 -69.4 -41.8 -12.9 -12.3 -10.6 8 6 A D H > S+ 0 0 74 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.782 111.4 54.8 -75.1 -27.5 -14.8 -13.7 -7.6 9 7 A A H X S+ 0 0 19 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.916 110.6 46.6 -68.5 -42.7 -16.6 -16.2 -9.9 10 8 A I H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.939 111.8 49.5 -63.4 -49.9 -13.2 -17.4 -11.0 11 9 A L H X S+ 0 0 9 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.832 111.0 50.9 -60.1 -35.2 -11.8 -17.6 -7.4 12 10 A K H X S+ 0 0 112 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.915 111.6 45.8 -70.2 -43.2 -15.0 -19.6 -6.3 13 11 A A H X S+ 0 0 2 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.889 112.8 53.3 -62.6 -38.2 -14.6 -22.1 -9.2 14 12 A A H X S+ 0 0 0 -4,-2.5 4,-3.2 2,-0.2 5,-0.5 0.938 106.6 50.1 -59.4 -53.3 -10.9 -22.3 -8.4 15 13 A V H X S+ 0 0 15 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.947 114.6 46.0 -52.3 -49.4 -11.5 -23.1 -4.8 16 14 A E H X S+ 0 0 47 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.905 118.4 39.3 -58.2 -49.4 -14.0 -25.9 -5.8 17 15 A V H X>S+ 0 0 2 -4,-2.8 4,-2.9 2,-0.2 5,-0.5 0.925 116.8 48.8 -76.2 -42.1 -11.8 -27.5 -8.6 18 16 A F H X5S+ 0 0 0 -4,-3.2 4,-2.2 -5,-0.3 -2,-0.2 0.932 112.4 49.9 -60.7 -47.1 -8.5 -27.2 -6.7 19 17 A G H <5S+ 0 0 8 -4,-2.2 -1,-0.2 -5,-0.5 -2,-0.2 0.811 116.7 42.5 -58.1 -32.7 -10.1 -28.7 -3.6 20 18 A K H <5S+ 0 0 140 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.908 132.5 15.8 -78.5 -45.7 -11.5 -31.6 -5.8 21 19 A K H <5S- 0 0 81 -4,-2.9 4,-0.5 1,-0.2 -3,-0.2 0.639 100.2-123.5-107.5 -21.9 -8.6 -32.4 -7.9 22 20 A G X< - 0 0 10 -4,-2.2 4,-1.7 -5,-0.5 -1,-0.2 -0.105 40.5 -68.4 88.0 168.5 -5.6 -30.8 -6.3 23 21 A Y T 4 S+ 0 0 18 84,-0.3 -1,-0.1 1,-0.2 -4,-0.1 0.901 128.1 44.5 -55.9 -51.6 -3.2 -28.3 -7.9 24 22 A D T 4 S+ 0 0 112 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.839 117.0 42.7 -72.1 -39.6 -1.5 -30.5 -10.4 25 23 A R T 4 S+ 0 0 188 -4,-0.5 -1,-0.2 -7,-0.1 -2,-0.2 0.729 95.9 91.8 -82.3 -27.4 -4.5 -32.4 -11.7 26 24 A A < - 0 0 2 -4,-1.7 2,-0.4 -8,-0.1 -8,-0.1 -0.396 62.6-152.9 -65.3 145.7 -6.8 -29.2 -11.9 27 25 A T > - 0 0 54 -2,-0.1 4,-1.5 1,-0.1 3,-0.3 -0.943 21.6-136.3-117.8 144.6 -6.9 -27.3 -15.2 28 26 A T H > S+ 0 0 40 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.738 105.9 66.7 -64.9 -25.4 -7.7 -23.6 -15.7 29 27 A D H > S+ 0 0 102 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.911 105.6 40.1 -62.0 -42.0 -9.8 -24.8 -18.6 30 28 A E H > S+ 0 0 55 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.790 112.3 55.3 -81.7 -26.5 -12.2 -26.6 -16.3 31 29 A I H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.921 111.4 46.0 -62.4 -44.1 -12.1 -23.7 -13.7 32 30 A A H X>S+ 0 0 0 -4,-2.4 5,-2.3 2,-0.2 4,-0.8 0.891 112.0 49.3 -66.9 -44.2 -13.2 -21.4 -16.5 33 31 A E H ><5S+ 0 0 77 -4,-1.9 3,-0.6 3,-0.2 -1,-0.2 0.926 113.4 47.8 -58.7 -44.5 -15.9 -23.6 -17.7 34 32 A K H 3<5S+ 0 0 70 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.809 113.2 47.1 -70.5 -31.5 -17.1 -23.9 -14.1 35 33 A A H 3<5S- 0 0 22 -4,-2.2 -1,-0.3 2,-0.1 -2,-0.2 0.561 110.9-126.4 -79.3 -11.0 -16.9 -20.1 -13.6 36 34 A G T <<5 + 0 0 65 -4,-0.8 2,-0.3 -3,-0.6 -3,-0.2 0.956 67.4 122.6 61.0 50.5 -18.8 -19.7 -17.0 37 35 A V S > - 0 0 65 -2,-0.3 3,-2.4 1,-0.1 4,-0.6 -0.417 37.3-121.6 -70.4 142.0 -13.9 -17.5 -21.5 39 37 A K H >> S+ 0 0 77 1,-0.3 3,-1.0 2,-0.2 4,-0.7 0.895 114.7 54.7 -51.1 -44.6 -10.8 -19.6 -21.2 40 38 A G H 3> S+ 0 0 54 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.544 91.4 74.9 -61.9 -11.6 -8.7 -16.4 -22.0 41 39 A L H <> S+ 0 0 48 -3,-2.4 4,-1.7 2,-0.2 5,-0.2 0.801 89.6 55.8 -78.8 -24.2 -10.4 -14.5 -19.1 42 40 A I H S+ 0 0 5 -3,-1.0 4,-3.7 -4,-0.6 5,-0.6 0.971 105.1 51.9 -70.8 -48.8 -8.4 -16.4 -16.4 43 41 A F H X5S+ 0 0 151 -4,-0.7 4,-1.9 3,-0.3 -1,-0.2 0.883 107.3 56.9 -47.6 -41.7 -5.1 -15.3 -18.1 44 42 A H H <5S+ 0 0 135 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.922 121.1 23.9 -61.2 -48.2 -6.5 -11.7 -18.0 45 43 A Y H <5S+ 0 0 101 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.743 140.9 22.7 -86.0 -27.2 -7.0 -11.6 -14.2 46 44 A F H <5S- 0 0 2 -4,-3.7 2,-3.1 -5,-0.2 -3,-0.3 0.571 72.8-152.4-128.0 -8.6 -4.5 -14.3 -13.2 47 45 A K S < S- 0 0 62 -2,-3.1 4,-1.9 -6,-0.1 5,-0.1 -0.949 78.2-103.9-144.3 171.0 -1.1 -18.5 -14.8 49 47 A K H > S+ 0 0 49 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.864 118.4 56.3 -59.4 -38.7 -2.6 -21.5 -12.8 50 48 A E H > S+ 0 0 71 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.924 108.9 44.4 -59.7 -50.2 0.0 -20.9 -10.1 51 49 A E H > S+ 0 0 44 -5,-0.2 4,-2.4 2,-0.2 5,-0.2 0.829 111.3 54.7 -64.2 -35.2 -1.0 -17.3 -9.5 52 50 A L H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.957 110.4 46.6 -61.1 -48.3 -4.7 -18.3 -9.6 53 51 A Y H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.898 112.9 50.3 -59.1 -41.7 -3.9 -20.9 -6.9 54 52 A Y H X S+ 0 0 27 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.907 112.0 44.3 -64.8 -48.6 -2.0 -18.2 -4.9 55 53 A Q H X S+ 0 0 50 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.839 113.3 52.2 -66.4 -38.3 -4.7 -15.5 -5.0 56 54 A A H X S+ 0 0 0 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.869 112.1 46.6 -63.0 -40.4 -7.5 -18.1 -4.2 57 55 A Y H X S+ 0 0 18 -4,-1.9 4,-2.4 -5,-0.2 5,-0.2 0.935 113.0 48.1 -69.3 -46.8 -5.4 -19.3 -1.2 58 56 A X H X S+ 0 0 25 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.874 111.6 52.4 -57.9 -36.5 -4.8 -15.6 -0.0 59 57 A S H X S+ 0 0 54 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.908 112.4 42.4 -71.3 -38.6 -8.5 -14.9 -0.4 60 58 A V H X S+ 0 0 5 -4,-1.8 4,-1.8 2,-0.2 3,-0.5 0.959 115.4 48.6 -70.2 -50.2 -9.7 -17.8 1.7 61 59 A T H X S+ 0 0 21 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.818 108.1 55.2 -60.3 -32.7 -7.1 -17.3 4.4 62 60 A E H X S+ 0 0 136 -4,-1.8 4,-1.5 -5,-0.2 -1,-0.2 0.842 105.9 53.0 -68.0 -34.1 -7.8 -13.5 4.6 63 61 A K H X S+ 0 0 83 -4,-1.1 4,-1.4 -3,-0.5 -2,-0.2 0.917 111.5 45.4 -63.1 -45.8 -11.5 -14.5 5.2 64 62 A L H X S+ 0 0 44 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.877 106.2 59.4 -65.2 -40.3 -10.4 -16.8 8.1 65 63 A Q H X S+ 0 0 28 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.893 104.7 50.9 -60.2 -36.5 -8.0 -14.1 9.5 66 64 A K H X S+ 0 0 118 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.906 108.7 50.6 -63.6 -45.5 -11.0 -11.7 9.9 67 65 A E H X S+ 0 0 86 -4,-1.4 4,-2.1 1,-0.2 -2,-0.2 0.930 113.9 46.9 -52.9 -50.4 -13.0 -14.4 11.8 68 66 A F H X S+ 0 0 10 -4,-2.4 4,-3.9 2,-0.2 -2,-0.2 0.909 109.6 48.8 -61.6 -50.9 -10.0 -14.9 14.1 69 67 A E H X S+ 0 0 80 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.818 111.7 53.4 -66.0 -29.9 -9.3 -11.3 14.8 70 68 A N H X S+ 0 0 111 -4,-1.9 4,-1.0 -5,-0.2 -1,-0.2 0.933 114.2 41.2 -55.7 -54.6 -13.0 -10.9 15.6 71 69 A F H >X S+ 0 0 12 -4,-2.1 4,-1.9 1,-0.2 3,-0.5 0.923 114.1 52.2 -63.1 -50.8 -12.8 -13.9 18.0 72 70 A L H 3X S+ 0 0 9 -4,-3.9 4,-1.3 1,-0.2 -1,-0.2 0.876 107.0 51.8 -51.0 -46.1 -9.4 -12.8 19.5 73 71 A X H 3< S+ 0 0 148 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.751 116.2 41.6 -71.8 -22.3 -10.6 -9.3 20.2 74 72 A K H << S+ 0 0 177 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.739 124.6 33.4 -89.9 -26.8 -13.7 -10.7 22.1 75 73 A N H >< S+ 0 0 16 -4,-1.9 3,-2.1 1,-0.1 -2,-0.2 0.280 78.7 115.6-116.8 5.6 -11.9 -13.6 24.0 76 74 A R T 3< S+ 0 0 124 -4,-1.3 -1,-0.1 1,-0.3 -3,-0.1 0.750 73.9 55.8 -44.4 -39.8 -8.5 -12.0 24.6 77 75 A N T 3 S+ 0 0 154 -3,-0.2 -1,-0.3 -4,-0.1 2,-0.1 0.431 86.4 106.6 -83.1 -0.4 -8.9 -12.1 28.4 78 76 A R S < S- 0 0 85 -3,-2.1 2,-0.2 1,-0.1 -3,-0.0 -0.387 85.6 -91.7 -73.3 157.1 -9.6 -15.8 28.7 79 77 A D > - 0 0 65 1,-0.1 4,-2.9 -2,-0.1 5,-0.1 -0.461 43.2-118.5 -57.7 138.0 -7.3 -18.4 30.0 80 78 A I H > S+ 0 0 3 2,-0.2 4,-3.0 1,-0.2 5,-0.1 0.822 111.7 48.4 -61.4 -42.6 -5.3 -19.7 27.0 81 79 A F H > S+ 0 0 11 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.935 115.3 46.9 -59.2 -48.7 -6.4 -23.4 27.1 82 80 A D H > S+ 0 0 48 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.917 112.3 51.3 -53.7 -47.5 -10.0 -22.1 27.4 83 81 A F H X S+ 0 0 0 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.944 111.9 45.8 -56.5 -51.5 -9.3 -19.7 24.5 84 82 A X H X S+ 0 0 0 -4,-3.0 4,-3.3 2,-0.2 5,-0.2 0.925 110.6 51.6 -61.1 -51.1 -7.9 -22.6 22.3 85 83 A E H X S+ 0 0 23 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.912 112.8 46.4 -48.5 -50.6 -10.8 -25.0 23.0 86 84 A R H X S+ 0 0 96 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.844 113.1 48.9 -64.8 -35.7 -13.3 -22.4 22.1 87 85 A W H X S+ 0 0 25 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.942 109.4 51.6 -70.7 -45.0 -11.5 -21.4 19.0 88 86 A I H X S+ 0 0 4 -4,-3.3 4,-2.6 1,-0.2 -2,-0.2 0.927 108.7 52.0 -55.1 -46.8 -11.1 -25.0 17.9 89 87 A E H X S+ 0 0 59 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.939 110.4 48.5 -50.9 -49.8 -14.9 -25.5 18.4 90 88 A K H X S+ 0 0 111 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.911 111.2 49.1 -64.3 -41.2 -15.5 -22.4 16.2 91 89 A K H X S+ 0 0 32 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.840 108.1 55.1 -63.9 -37.4 -13.1 -23.7 13.5 92 90 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.950 110.4 45.2 -57.0 -51.7 -14.9 -27.1 13.5 93 91 A E H X S+ 0 0 95 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.893 112.1 52.2 -59.3 -42.8 -18.2 -25.4 12.9 94 92 A Y H X S+ 0 0 33 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.941 109.5 49.5 -60.4 -46.2 -16.7 -23.2 10.2 95 93 A S H < S+ 0 0 15 -4,-2.5 7,-0.2 1,-0.2 -1,-0.2 0.849 111.2 47.7 -62.7 -37.9 -15.2 -26.2 8.4 96 94 A A H < S+ 0 0 5 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.793 116.1 45.3 -73.6 -29.1 -18.5 -28.2 8.4 97 95 A S H < S+ 0 0 73 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.588 123.3 35.4 -89.7 -12.9 -20.4 -25.1 7.2 98 96 A H >X + 0 0 54 -4,-1.3 4,-2.0 -5,-0.1 3,-0.5 -0.438 67.9 156.7-134.8 58.0 -17.7 -24.4 4.5 99 97 A P H 3> S+ 0 0 27 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.813 70.6 58.1 -59.5 -34.3 -16.5 -27.8 3.3 100 98 A E H 3> S+ 0 0 98 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.897 109.7 44.2 -64.1 -40.0 -15.2 -26.5 -0.1 101 99 A E H <> S+ 0 0 36 -3,-0.5 4,-2.8 2,-0.2 -1,-0.2 0.911 113.9 51.7 -67.5 -41.2 -12.9 -24.0 1.5 102 100 A A H X S+ 0 0 9 -4,-2.0 4,-1.2 -7,-0.2 -2,-0.2 0.948 111.3 46.2 -57.7 -51.7 -11.8 -26.7 4.0 103 101 A D H < S+ 0 0 33 -4,-3.2 4,-0.3 1,-0.2 -1,-0.2 0.848 113.2 50.9 -59.7 -37.0 -11.1 -29.1 1.2 104 102 A F H >< S+ 0 0 0 -4,-1.7 3,-1.7 -5,-0.2 4,-0.3 0.930 103.2 57.4 -72.6 -42.7 -9.2 -26.4 -0.7 105 103 A L H >< S+ 0 0 26 -4,-2.8 3,-1.2 1,-0.3 -1,-0.2 0.842 100.3 58.4 -58.4 -29.4 -7.0 -25.4 2.2 106 104 A I G >< S+ 0 0 11 -4,-1.2 3,-0.9 1,-0.3 4,-0.3 0.614 86.3 78.0 -81.7 -9.7 -5.5 -28.9 2.7 107 105 A T G X> + 0 0 12 -3,-1.7 3,-0.9 -4,-0.3 4,-0.9 0.607 64.9 93.6 -73.6 -12.3 -4.2 -29.0 -0.9 108 106 A L G <4 S+ 0 0 21 -3,-1.2 3,-0.4 -4,-0.3 -1,-0.2 0.841 79.5 59.9 -51.7 -34.1 -1.3 -26.8 0.1 109 107 A V G <4 S+ 0 0 78 -3,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.915 98.7 56.6 -57.0 -43.4 0.7 -30.1 0.7 110 108 A S T <4 S+ 0 0 56 -3,-0.9 -1,-0.2 -4,-0.3 -2,-0.2 0.769 88.5 92.6 -64.3 -28.8 0.3 -31.3 -2.9 111 109 A V S < S- 0 0 4 -4,-0.9 5,-0.0 -3,-0.4 -89,-0.0 -0.226 88.2 -85.6 -74.2 156.1 1.9 -28.2 -4.7 112 110 A D >> - 0 0 79 1,-0.1 4,-2.0 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