==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 01-MAR-11 3QXJ . COMPND 2 MOLECULE: DETHIOBIOTIN SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR M.M.KLIMECKA,P.J.POREBSKI,M.CHRUSZCZ,K.MURZYN,A.JOACHIMIAK,W . 224 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11070.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 157 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 15 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 1 1 0 0 2 2 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 1 3 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 . 1 0 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 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 -3 A F 0 0 195 0, 0.0 3,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 166.2 22.0 -3.6 -5.9 2 -2 A Q - 0 0 120 1,-0.2 110,-0.2 222,-0.1 109,-0.1 -0.181 360.0 -55.6 -74.4 174.0 19.8 -6.4 -4.9 3 -1 A G - 0 0 18 108,-2.7 113,-0.2 111,-0.3 -1,-0.2 -0.175 58.7-112.6 -55.9 154.6 20.0 -9.7 -6.9 4 0 A H E -a 116 0A 31 111,-2.3 113,-2.4 -3,-0.1 2,-0.4 -0.388 25.4-140.9 -80.0 162.5 19.5 -9.7 -10.7 5 1 A M E -a 117 0A 12 111,-0.2 140,-2.4 138,-0.2 2,-0.5 -0.996 13.2-170.4-134.2 131.4 16.6 -11.4 -12.3 6 2 A L E -ab 118 145A 1 111,-2.7 113,-2.9 -2,-0.4 2,-0.4 -0.982 10.2-152.5-125.0 120.8 16.5 -13.3 -15.5 7 3 A F E -ab 119 146A 1 138,-3.2 140,-2.9 -2,-0.5 2,-0.6 -0.771 9.2-151.7 -85.5 139.5 13.3 -14.5 -17.2 8 4 A I E +ab 120 147A 0 111,-3.0 113,-2.7 -2,-0.4 140,-0.2 -0.959 25.4 158.7-120.5 118.7 13.5 -17.6 -19.3 9 5 A S E - b 0 148A 2 138,-2.3 140,-2.7 -2,-0.6 2,-0.3 -0.528 20.4-145.7-120.9-177.2 11.1 -17.9 -22.2 10 6 A A E - b 0 149A 1 138,-0.3 115,-0.6 -2,-0.2 140,-0.2 -0.987 29.3-117.5-151.0 161.4 11.1 -20.0 -25.4 11 7 A T S S- 0 0 22 138,-2.2 2,-0.3 -2,-0.3 139,-0.1 0.786 102.3 -2.5 -62.7 -35.2 10.2 -20.3 -29.0 12 8 A N S > S- 0 0 57 137,-0.4 3,-1.7 -3,-0.1 4,-0.2 -0.976 87.3 -85.2-157.4 149.8 7.9 -23.2 -28.2 13 9 A T T 3 S+ 0 0 92 -2,-0.3 109,-0.0 110,-0.3 -2,-0.0 -0.389 117.6 26.5 -57.5 146.9 6.8 -25.3 -25.2 14 10 A N T 3 S+ 0 0 139 1,-0.1 -1,-0.3 137,-0.0 -4,-0.0 0.506 82.2 122.8 71.3 8.4 9.4 -28.2 -24.8 15 11 A A S < S- 0 0 2 -3,-1.7 164,-0.2 134,-0.1 -2,-0.1 0.785 91.9 -87.3 -68.6 -28.9 12.2 -26.1 -26.4 16 12 A G S > S+ 0 0 9 -4,-0.2 4,-2.7 133,-0.1 5,-0.3 0.605 77.7 140.5 131.0 24.1 14.3 -26.5 -23.3 17 13 A K H > S+ 0 0 11 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.918 81.8 42.1 -52.9 -55.3 13.6 -23.8 -20.8 18 14 A T H > S+ 0 0 18 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.936 115.8 47.3 -65.6 -46.3 13.8 -26.0 -17.8 19 15 A T H > S+ 0 0 84 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.929 118.1 42.6 -58.1 -48.3 16.9 -28.0 -18.9 20 16 A C H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.903 112.5 52.5 -68.6 -43.7 18.7 -24.8 -19.8 21 17 A A H X S+ 0 0 0 -4,-2.9 4,-2.8 -5,-0.3 5,-0.2 0.916 111.3 47.4 -55.1 -46.3 17.6 -22.9 -16.7 22 18 A R H X S+ 0 0 61 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.913 112.8 48.4 -66.9 -38.6 18.8 -25.8 -14.5 23 19 A L H X S+ 0 0 73 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.920 113.7 47.5 -67.8 -39.9 22.2 -26.0 -16.3 24 20 A L H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 -2,-0.2 0.944 112.6 47.7 -67.7 -43.5 22.7 -22.2 -16.1 25 21 A A H X S+ 0 0 2 -4,-2.8 4,-3.0 1,-0.2 10,-0.2 0.895 111.7 52.0 -63.3 -36.7 21.8 -22.1 -12.4 26 22 A Q H X S+ 0 0 133 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.937 112.0 45.6 -63.5 -44.4 24.1 -25.0 -11.8 27 23 A Y H X S+ 0 0 63 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.928 113.7 48.9 -63.0 -49.4 27.0 -23.2 -13.5 28 24 A C H ><>S+ 0 0 0 -4,-3.0 5,-2.7 1,-0.2 3,-0.6 0.940 111.9 48.2 -57.0 -49.9 26.2 -19.9 -11.7 29 25 A N H ><5S+ 0 0 54 -4,-3.0 3,-1.7 1,-0.2 -1,-0.2 0.887 108.7 54.5 -59.4 -38.9 26.1 -21.6 -8.3 30 26 A A H 3<5S+ 0 0 89 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.790 107.2 51.9 -66.5 -20.7 29.4 -23.4 -9.1 31 27 A C T <<5S- 0 0 66 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.310 126.0-102.2 -93.9 5.9 31.0 -20.0 -9.8 32 28 A G T < 5S+ 0 0 61 -3,-1.7 2,-0.8 1,-0.2 -3,-0.2 0.618 81.9 131.8 80.9 14.1 29.8 -18.6 -6.5 33 29 A V < - 0 0 21 -5,-2.7 2,-0.5 -6,-0.2 -1,-0.2 -0.874 58.6-134.8 -99.0 103.2 26.8 -16.7 -7.9 34 30 A K - 0 0 81 -2,-0.8 82,-2.0 -3,-0.1 81,-1.7 -0.472 33.8-177.8 -68.4 116.8 24.0 -17.8 -5.6 35 31 A T E -c 116 0A 0 -2,-0.5 2,-0.3 -10,-0.2 82,-0.2 -0.947 18.7-163.6-132.3 131.9 21.1 -18.6 -7.9 36 32 A I E -c 117 0A 0 80,-2.1 82,-3.1 -2,-0.4 2,-0.5 -0.881 13.9-140.9-111.0 150.2 17.5 -19.7 -7.4 37 33 A L E -c 118 0A 1 -2,-0.3 2,-0.3 21,-0.3 82,-0.2 -0.930 21.2-174.9-111.8 126.0 15.1 -21.2 -9.9 38 34 A L E -c 119 0A 0 80,-2.9 82,-2.9 -2,-0.5 37,-0.2 -0.905 20.4-172.9-123.8 143.4 11.4 -20.1 -9.8 39 35 A K + 0 0 9 35,-2.3 37,-0.2 -2,-0.3 82,-0.1 -0.738 12.7 176.5-129.6 82.4 8.4 -21.4 -11.9 40 36 A P + 0 0 1 0, 0.0 36,-2.2 0, 0.0 37,-2.1 0.826 69.3 30.3 -66.7 -32.4 5.7 -18.9 -10.8 41 37 A I E +f 77 0B 1 79,-0.4 2,-0.4 35,-0.2 37,-0.2 -0.990 68.4 170.4-129.2 130.1 3.0 -20.3 -13.2 42 38 A E E -f 78 0B 12 35,-2.5 37,-2.0 -2,-0.4 3,-0.2 -0.987 8.4-171.9-145.7 128.2 2.8 -23.9 -14.3 43 39 A T + 0 0 31 -2,-0.4 39,-0.2 35,-0.2 37,-0.2 -0.633 64.5 45.7-106.0 168.9 0.0 -25.7 -16.2 44 40 A G S S+ 0 0 37 37,-1.8 2,-0.3 -2,-0.2 36,-0.3 0.811 83.9 128.5 74.7 24.0 -0.4 -29.4 -16.9 45 41 A V - 0 0 15 34,-2.6 2,-0.3 -3,-0.2 -1,-0.2 -0.870 42.0-171.6-118.0 156.6 0.4 -30.6 -13.4 46 42 A N >> - 0 0 61 -2,-0.3 4,-2.1 4,-0.1 3,-1.2 -0.803 8.9-178.7-143.7 92.8 -1.1 -32.9 -10.8 47 43 A D T 34 S+ 0 0 50 -2,-0.3 -1,-0.1 1,-0.3 6,-0.0 0.585 75.6 68.2 -73.0 -16.0 0.9 -32.5 -7.6 48 44 A A T 34 S+ 0 0 86 1,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.784 121.4 15.9 -67.6 -29.0 -1.1 -35.0 -5.7 49 45 A I T <4 S+ 0 0 137 -3,-1.2 2,-0.4 1,-0.2 -2,-0.2 0.579 120.9 56.2-123.1 -18.3 0.4 -37.8 -7.9 50 46 A N < - 0 0 72 -4,-2.1 -1,-0.2 1,-0.0 3,-0.2 -0.990 43.3-180.0-131.5 126.1 3.4 -36.4 -9.8 51 47 A H + 0 0 138 -2,-0.4 -4,-0.1 1,-0.1 -1,-0.0 -0.208 67.4 81.8-115.3 37.2 6.6 -34.9 -8.3 52 48 A S + 0 0 71 4,-0.1 -1,-0.1 5,-0.0 -5,-0.0 0.044 55.3 127.5-133.2 31.9 8.5 -34.1 -11.5 53 49 A S S > S- 0 0 7 -3,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.277 79.1 -96.3 -67.6 171.3 7.0 -30.9 -12.7 54 50 A D H > S+ 0 0 38 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.914 127.9 52.5 -59.5 -45.3 9.3 -28.0 -13.5 55 51 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.879 108.2 50.5 -59.5 -38.1 8.7 -26.6 -10.0 56 52 A H H > S+ 0 0 27 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.910 111.2 48.2 -64.5 -41.5 9.6 -29.9 -8.4 57 53 A L H X S+ 0 0 44 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.931 113.7 47.0 -64.3 -43.7 12.8 -30.2 -10.5 58 54 A F H X S+ 0 0 0 -4,-2.9 4,-3.0 -5,-0.2 -21,-0.3 0.902 109.3 54.7 -62.2 -40.7 13.7 -26.6 -9.5 59 55 A L H X S+ 0 0 26 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.925 105.2 53.6 -59.3 -43.4 12.9 -27.3 -5.9 60 56 A Q H < S+ 0 0 125 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.937 114.7 41.1 -53.2 -52.6 15.3 -30.3 -5.9 61 57 A D H >< S+ 0 0 37 -4,-2.0 3,-1.3 1,-0.2 -1,-0.2 0.898 113.8 52.4 -63.7 -44.4 18.1 -28.0 -7.2 62 58 A N H >X S+ 0 0 2 -4,-3.0 3,-2.2 1,-0.3 4,-1.4 0.794 95.1 67.7 -64.6 -32.4 17.1 -25.1 -4.9 63 59 A R T 3< S+ 0 0 82 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.639 84.1 74.5 -68.5 -13.9 17.2 -27.2 -1.7 64 60 A L T <4 S+ 0 0 139 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.629 109.7 31.2 -67.1 -12.9 21.0 -27.5 -2.2 65 61 A L T <4 S+ 0 0 70 -3,-2.2 2,-0.3 1,-0.3 -2,-0.2 0.615 136.4 19.4-113.4 -25.3 21.0 -23.8 -1.0 66 62 A D >< - 0 0 54 -4,-1.4 3,-1.4 1,-0.1 -1,-0.3 -0.826 55.4-168.0-152.9 98.8 18.0 -23.8 1.4 67 63 A R T 3 S+ 0 0 158 -2,-0.3 -4,-0.1 1,-0.3 -1,-0.1 0.717 86.0 67.2 -58.1 -26.6 16.6 -26.9 2.9 68 64 A S T 3 S+ 0 0 84 2,-0.0 -1,-0.3 -5,-0.0 -5,-0.1 0.578 73.8 113.0 -76.1 -11.8 13.6 -25.1 4.1 69 65 A L < - 0 0 9 -3,-1.4 2,-0.3 -7,-0.1 -6,-0.0 -0.338 44.1-174.1 -62.8 144.6 12.2 -24.3 0.6 70 66 A T >> - 0 0 52 1,-0.0 3,-1.7 -2,-0.0 4,-0.5 -0.835 40.9 -97.0-129.0 169.2 8.9 -26.0 -0.4 71 67 A L H >> S+ 0 0 30 1,-0.3 3,-1.7 -2,-0.3 4,-1.3 0.885 120.8 57.0 -57.1 -43.4 7.0 -26.1 -3.6 72 68 A K H 34 S+ 0 0 143 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.657 98.2 63.6 -68.9 -11.2 4.7 -23.2 -2.7 73 69 A D H <4 S+ 0 0 45 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.677 116.1 27.0 -78.6 -20.5 7.7 -21.0 -2.1 74 70 A I H << S+ 0 0 0 -3,-1.7 -35,-2.3 -4,-0.5 2,-0.3 0.443 121.6 45.9-125.5 -2.8 8.7 -21.1 -5.7 75 71 A S < + 0 0 4 -4,-1.3 -1,-0.3 -37,-0.2 -34,-0.2 -0.975 52.9 171.0-147.5 129.4 5.5 -21.8 -7.7 76 72 A F + 0 0 36 -36,-2.2 2,-0.5 -2,-0.3 -35,-0.2 0.642 65.3 42.8-119.6 -31.2 2.3 -19.9 -7.1 77 73 A Y E +f 41 0B 34 -37,-2.1 -35,-2.5 2,-0.0 2,-0.4 -0.960 66.5 171.0-129.0 112.7 -0.3 -20.6 -9.7 78 74 A R E -f 42 0B 50 -2,-0.5 2,-0.3 -37,-0.2 -35,-0.2 -0.984 5.1-179.4-133.5 131.3 -0.6 -24.3 -10.7 79 75 A Y - 0 0 6 -37,-2.0 -34,-2.6 -2,-0.4 10,-0.1 -0.937 31.7-140.4-135.5 149.3 -3.2 -25.9 -12.9 80 76 A H S S+ 0 0 110 -2,-0.3 -1,-0.1 -36,-0.3 -37,-0.1 0.866 75.0 96.3 -73.2 -37.5 -4.1 -29.3 -14.2 81 77 A K S S- 0 0 74 -37,-0.1 -37,-1.8 1,-0.1 2,-1.3 -0.240 73.0-135.6 -64.0 139.0 -5.2 -28.2 -17.7 82 78 A V S S+ 0 0 130 -39,-0.2 2,-0.3 -38,-0.1 -1,-0.1 -0.693 72.6 87.8 -92.9 86.8 -2.5 -28.5 -20.4 83 79 A S S S- 0 0 32 -2,-1.3 -40,-0.1 2,-0.0 -39,-0.0 -0.901 88.4 -47.5-162.4 178.6 -3.3 -25.0 -21.9 84 80 A A > - 0 0 28 -2,-0.3 4,-2.2 1,-0.1 3,-0.4 -0.351 57.9-115.6 -59.0 147.8 -2.4 -21.3 -21.7 85 81 A P H > S+ 0 0 1 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.877 112.1 58.3 -59.5 -36.4 -2.5 -20.1 -18.1 86 82 A L H > S+ 0 0 16 42,-2.2 4,-2.4 1,-0.2 5,-0.1 0.906 109.8 43.6 -59.1 -47.7 -5.4 -17.8 -18.7 87 83 A I H > S+ 0 0 67 -3,-0.4 4,-2.0 41,-0.3 -1,-0.2 0.916 113.2 50.2 -65.3 -45.4 -7.6 -20.6 -19.9 88 84 A A H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.4 0.913 112.7 48.2 -57.1 -45.4 -6.6 -23.0 -17.2 89 85 A Q H X S+ 0 0 7 -4,-2.9 4,-2.7 -5,-0.2 7,-0.2 0.949 110.3 50.9 -61.7 -47.2 -7.3 -20.3 -14.5 90 86 A Q H < S+ 0 0 93 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.849 118.2 38.5 -61.7 -36.3 -10.7 -19.4 -15.9 91 87 A E H < S+ 0 0 116 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.896 129.0 27.4 -81.9 -43.7 -11.8 -23.0 -16.0 92 88 A E H < S+ 0 0 74 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.711 136.0 20.7 -93.0 -25.5 -10.2 -24.3 -12.7 93 89 A D >< + 0 0 71 -4,-2.7 3,-2.3 -5,-0.4 -1,-0.2 -0.459 66.1 166.1-144.9 58.7 -10.0 -21.2 -10.5 94 90 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.756 76.6 52.0 -56.4 -26.6 -12.6 -18.8 -11.9 95 91 A N T 3 S+ 0 0 156 1,-0.2 -5,-0.1 -6,-0.1 -6,-0.0 0.316 103.2 61.7 -93.8 7.6 -12.5 -16.5 -8.8 96 92 A A < - 0 0 30 -3,-2.3 -1,-0.2 -7,-0.2 3,-0.1 -0.560 66.8-171.3-134.0 76.4 -8.7 -16.1 -8.7 97 93 A P - 0 0 82 0, 0.0 33,-0.1 0, 0.0 2,-0.1 -0.304 44.7 -89.4 -60.4 148.3 -7.3 -14.4 -11.7 98 94 A I - 0 0 7 31,-0.4 2,-0.8 1,-0.1 31,-0.0 -0.391 40.3-146.7 -63.7 131.7 -3.5 -14.6 -11.8 99 95 A D > - 0 0 72 1,-0.1 4,-2.4 -3,-0.1 5,-0.1 -0.873 17.3-177.1-108.1 101.8 -2.1 -11.5 -10.0 100 96 A T H > S+ 0 0 3 -2,-0.8 4,-2.4 2,-0.2 -1,-0.1 0.748 82.7 60.8 -76.5 -21.6 1.1 -10.3 -11.6 101 97 A D H > S+ 0 0 95 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.946 108.3 45.4 -63.2 -46.8 1.6 -7.5 -9.0 102 98 A N H > S+ 0 0 46 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.949 113.2 49.5 -58.3 -47.2 1.7 -10.2 -6.3 103 99 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.893 107.3 54.7 -61.5 -41.8 4.0 -12.3 -8.4 104 100 A T H X S+ 0 0 24 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.922 110.8 46.6 -55.8 -44.4 6.3 -9.3 -9.0 105 101 A Q H X S+ 0 0 136 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.916 113.3 47.4 -62.8 -48.2 6.5 -8.9 -5.2 106 102 A R H X S+ 0 0 102 -4,-2.4 4,-0.7 2,-0.2 -1,-0.2 0.907 114.3 46.2 -63.3 -41.7 7.2 -12.5 -4.5 107 103 A L H >< S+ 0 0 0 -4,-2.7 3,-1.0 -5,-0.2 4,-0.4 0.933 112.3 50.0 -69.8 -42.3 9.8 -12.8 -7.1 108 104 A H H >< S+ 0 0 68 -4,-2.6 3,-1.7 -5,-0.3 4,-0.4 0.848 97.4 68.6 -65.9 -27.3 11.6 -9.6 -6.1 109 105 A N H >< S+ 0 0 84 -4,-2.0 3,-1.3 1,-0.3 4,-0.4 0.861 93.0 60.7 -59.0 -28.1 11.7 -10.7 -2.5 110 106 A F G XX S+ 0 0 29 -3,-1.0 4,-1.4 -4,-0.7 3,-0.6 0.671 86.2 73.9 -73.5 -18.6 14.2 -13.4 -3.6 111 107 A T G <4 S+ 0 0 6 -3,-1.7 -108,-2.7 -4,-0.4 -1,-0.3 0.641 88.3 64.0 -69.0 -12.2 16.6 -10.7 -4.8 112 108 A K G <4 S+ 0 0 139 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.2 0.891 115.4 26.4 -68.9 -41.5 17.3 -10.1 -1.1 113 109 A T T <4 S+ 0 0 77 -3,-0.6 2,-0.3 -4,-0.4 -2,-0.2 0.461 117.8 59.0-108.7 -5.2 18.8 -13.6 -0.6 114 110 A Y < - 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0 0 34 -4,-1.0 4,-0.0 -3,-0.2 0, 0.0 -0.845 63.3-148.0-114.8 144.1 22.8 -7.8 -35.9 203 199 A N S S+ 0 0 178 -2,-0.3 -1,-0.1 1,-0.2 -4,-0.1 0.567 99.4 50.9 -84.7 -6.9 24.0 -6.0 -32.7 204 200 A N S S- 0 0 39 -29,-0.0 -1,-0.2 2,-0.0 2,-0.0 -0.860 87.0-156.2-130.1 96.8 22.3 -8.7 -30.7 205 201 A P - 0 0 44 0, 0.0 -29,-0.5 0, 0.0 2,-0.5 -0.336 17.3-119.3 -80.5 158.6 23.5 -12.1 -31.9 206 202 A I - 0 0 3 -11,-0.3 2,-0.2 -31,-0.1 -29,-0.2 -0.752 39.6-165.5 -89.0 125.6 21.7 -15.4 -31.6 207 203 A V E -e 177 0A 26 -31,-2.5 -29,-2.8 -2,-0.5 2,-0.5 -0.629 25.2-109.8-109.1 170.2 24.0 -17.8 -29.6 208 204 A I E > -e 178 0A 11 -31,-0.3 3,-1.4 -2,-0.2 4,-0.4 -0.909 25.3-141.8 -99.0 123.5 24.1 -21.5 -28.9 209 205 A F G > S+ 0 0 1 -31,-2.8 3,-2.3 -2,-0.5 -30,-0.2 0.912 98.7 54.6 -53.4 -46.6 23.2 -22.2 -25.3 210 206 A Q G 3 S+ 0 0 79 -32,-0.5 -1,-0.3 1,-0.3 3,-0.3 0.683 111.2 45.3 -64.8 -25.1 25.8 -24.9 -24.8 211 207 A Q G < S+ 0 0 147 -3,-1.4 -1,-0.3 1,-0.1 4,-0.2 0.358 110.8 60.1 -85.5 -5.9 28.6 -22.6 -26.0 212 208 A S <> + 0 0 7 -3,-2.3 4,-2.9 -4,-0.4 5,-0.3 0.114 53.1 115.8-124.0 17.7 27.4 -19.8 -23.8 213 209 A L H > S+ 0 0 33 -3,-0.3 4,-2.1 2,-0.2 5,-0.2 0.934 89.9 41.5 -58.7 -42.9 27.2 -20.5 -20.1 214 210 A K H > S+ 0 0 145 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.929 116.5 48.3 -67.6 -48.1 29.9 -17.9 -19.3 215 211 A V H > S+ 0 0 79 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.877 112.8 49.0 -59.2 -40.8 28.4 -15.3 -21.7 216 212 A L H X S+ 0 0 1 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.873 110.0 50.0 -74.8 -34.4 24.9 -15.9 -20.4 217 213 A M H X S+ 0 0 27 -4,-2.1 4,-2.1 -5,-0.3 -2,-0.2 0.939 112.2 49.5 -63.6 -41.8 26.0 -15.5 -16.7 218 214 A S H X S+ 0 0 74 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.938 112.2 48.2 -58.3 -49.2 27.8 -12.3 -17.7 219 215 A F H < S+ 0 0 18 -4,-2.5 3,-0.5 1,-0.2 -1,-0.2 0.927 111.7 49.3 -56.4 -49.7 24.7 -11.1 -19.5 220 216 A A H < S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.869 118.9 37.1 -63.1 -31.4 22.4 -11.9 -16.5 221 217 A L H < S+ 0 0 46 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.530 86.9 119.0 -99.6 -8.5 24.6 -10.2 -13.9 222 218 A K S < S- 0 0 105 -4,-1.3 -3,-0.0 -3,-0.5 -4,-0.0 -0.327 74.2 -22.6 -71.7 145.7 25.8 -7.1 -15.8 223 219 A G 0 0 58 1,-0.2 0, 0.0 -2,-0.0 0, 0.0 -0.232 360.0 360.0 71.5-158.3 25.1 -3.6 -14.6 224 220 A S 0 0 112 -220,-0.0 -1,-0.2 -223,-0.0 -222,-0.1 0.413 360.0 360.0 -72.1 360.0 22.1 -2.7 -12.3