==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-JUL-11 3T40 . COMPND 2 MOLECULE: INDOLE-3-GLYCEROL PHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR M.C.M.REDDY,J.B.BRUNING,C.THURMAN,J.C.SACCHETTINI,TB STRUCTU . 252 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11363.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.4 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 . 22 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 36.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.8 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 2 0 0 0 3 4 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 1 4 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 PARALLEL 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 5 A T > 0 0 147 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -24.3 21.0 -11.0 22.1 2 6 A V H > + 0 0 119 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.860 360.0 55.4 -62.5 -34.2 21.7 -7.3 21.4 3 7 A L H > S+ 0 0 58 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.866 102.9 55.5 -66.4 -35.6 18.3 -7.1 19.9 4 8 A D H > S+ 0 0 101 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.863 106.8 51.3 -60.9 -37.4 16.9 -8.5 23.2 5 9 A S H X S+ 0 0 65 -4,-1.5 4,-1.3 2,-0.2 -2,-0.2 0.906 111.2 46.4 -67.0 -43.4 18.7 -5.6 24.9 6 10 A I H X S+ 0 0 80 -4,-2.1 4,-1.7 1,-0.2 3,-0.3 0.930 113.0 49.6 -64.1 -44.8 17.1 -3.1 22.6 7 11 A L H X S+ 0 0 3 -4,-3.0 4,-3.3 1,-0.2 -2,-0.2 0.825 102.7 61.3 -66.0 -29.4 13.7 -4.6 23.0 8 12 A E H X S+ 0 0 119 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.902 105.5 48.2 -61.5 -39.5 14.1 -4.6 26.8 9 13 A G H X S+ 0 0 2 -4,-1.3 4,-2.2 -3,-0.3 -1,-0.2 0.878 112.0 48.9 -67.6 -38.7 14.3 -0.8 26.6 10 14 A V H X S+ 0 0 10 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.932 110.1 50.9 -64.8 -45.7 11.2 -0.7 24.3 11 15 A R H X S+ 0 0 106 -4,-3.3 4,-2.5 1,-0.2 -2,-0.2 0.872 110.3 50.3 -61.5 -35.6 9.4 -2.9 26.8 12 16 A A H X S+ 0 0 41 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.909 110.5 48.7 -66.1 -44.3 10.3 -0.6 29.6 13 17 A D H X S+ 0 0 53 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.923 113.7 47.1 -61.6 -44.2 9.1 2.4 27.7 14 18 A V H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.932 111.1 50.9 -63.0 -46.9 5.8 0.7 26.9 15 19 A A H X S+ 0 0 56 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.899 109.6 50.4 -59.0 -41.3 5.3 -0.4 30.4 16 20 A A H X S+ 0 0 65 -4,-2.3 4,-0.7 2,-0.2 -1,-0.2 0.900 111.3 48.5 -65.4 -38.8 5.9 3.1 31.8 17 21 A R H >X S+ 0 0 77 -4,-2.0 4,-2.4 1,-0.2 3,-1.2 0.914 107.9 54.7 -65.8 -41.1 3.4 4.5 29.3 18 22 A E H 3< S+ 0 0 63 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.783 98.7 63.8 -63.3 -26.5 0.8 1.8 30.2 19 23 A A H 3< S+ 0 0 89 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.808 113.9 32.5 -65.3 -29.0 1.2 2.9 33.9 20 24 A S H << S+ 0 0 98 -3,-1.2 2,-0.5 -4,-0.7 -2,-0.2 0.742 129.0 35.8 -97.1 -33.4 -0.2 6.3 32.9 21 25 A V S < S- 0 0 57 -4,-2.4 -1,-0.3 -5,-0.1 5,-0.1 -0.927 88.8-143.4-126.6 102.3 -2.6 5.2 30.2 22 26 A S > - 0 0 41 -2,-0.5 4,-2.7 -3,-0.2 5,-0.3 -0.046 23.9-109.2 -66.4 166.3 -4.2 1.9 31.0 23 27 A L H > S+ 0 0 60 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.915 122.6 52.8 -60.1 -40.4 -4.9 -0.8 28.5 24 28 A S H > S+ 0 0 93 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.922 111.4 46.4 -60.7 -43.4 -8.6 -0.0 29.0 25 29 A E H > S+ 0 0 111 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.867 111.4 49.3 -68.1 -38.9 -8.0 3.7 28.3 26 30 A I H X S+ 0 0 8 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.859 110.0 52.4 -72.5 -30.4 -5.9 3.1 25.2 27 31 A K H X S+ 0 0 89 -4,-2.1 4,-2.5 -5,-0.3 -2,-0.2 0.912 109.8 49.2 -67.2 -40.6 -8.5 0.8 23.8 28 32 A A H X S+ 0 0 61 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.898 111.7 48.8 -63.0 -40.9 -11.1 3.4 24.4 29 33 A A H X S+ 0 0 42 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.878 111.5 50.0 -67.0 -37.2 -8.9 6.0 22.6 30 34 A A H < S+ 0 0 7 -4,-2.2 3,-0.3 1,-0.2 -2,-0.2 0.923 111.7 46.9 -65.9 -45.7 -8.4 3.6 19.7 31 35 A A H < S+ 0 0 88 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.801 111.2 53.5 -65.7 -28.8 -12.1 2.9 19.3 32 36 A A H < S+ 0 0 83 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.772 90.0 97.7 -77.7 -26.7 -12.8 6.7 19.5 33 37 A A S < S- 0 0 18 -4,-1.2 88,-0.1 -3,-0.3 89,-0.1 -0.165 91.5 -90.9 -62.5 153.4 -10.4 7.5 16.7 34 38 A P - 0 0 91 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.444 62.3 -86.0 -61.1 141.9 -11.6 8.0 13.2 35 39 A P - 0 0 107 0, 0.0 115,-0.1 0, 0.0 2,-0.1 -0.043 49.8 -98.6 -52.3 151.3 -11.4 4.7 11.3 36 40 A P - 0 0 33 0, 0.0 89,-0.1 0, 0.0 2,-0.1 -0.388 40.4-108.6 -70.7 151.2 -8.2 3.7 9.7 37 41 A L - 0 0 63 1,-0.1 2,-1.6 -3,-0.1 3,-0.2 -0.418 36.4 -96.4 -74.9 157.6 -7.8 4.3 6.0 38 42 A D > + 0 0 109 1,-0.2 4,-1.7 -2,-0.1 5,-0.1 -0.591 46.0 178.0 -76.2 88.5 -7.7 1.4 3.5 39 43 A V H > S+ 0 0 1 -2,-1.6 4,-2.5 86,-0.3 -1,-0.2 0.867 76.0 57.1 -65.5 -37.6 -4.0 1.0 3.3 40 44 A M H > S+ 0 0 14 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.928 105.4 51.4 -59.1 -44.9 -4.2 -2.0 0.9 41 45 A A H 4 S+ 0 0 45 1,-0.2 4,-0.4 2,-0.2 3,-0.4 0.905 109.8 49.7 -57.8 -43.2 -6.2 0.1 -1.5 42 46 A A H >< S+ 0 0 8 -4,-1.7 3,-1.3 1,-0.2 -2,-0.2 0.923 109.9 51.1 -61.6 -42.1 -3.6 2.8 -1.4 43 47 A L H 3< S+ 0 0 4 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.704 105.8 56.8 -70.1 -18.7 -0.8 0.3 -2.0 44 48 A R T 3< S+ 0 0 156 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.487 80.6 116.5 -90.8 -3.5 -2.7 -1.1 -5.0 45 49 A E S < S- 0 0 99 -3,-1.3 4,-0.1 -4,-0.4 -3,-0.0 -0.291 79.1 -88.2 -63.3 151.7 -2.9 2.3 -6.8 46 50 A P S S+ 0 0 126 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.256 92.7 33.0 -59.7 144.3 -1.1 2.6 -10.2 47 51 A G S S- 0 0 58 -3,-0.1 2,-0.5 2,-0.1 197,-0.1 -0.040 104.0 -57.8 92.9 160.8 2.5 3.6 -10.1 48 52 A I - 0 0 43 195,-0.2 174,-0.3 197,-0.1 2,-0.2 -0.669 59.0-127.0 -78.3 123.3 5.3 2.9 -7.5 49 53 A G E -a 222 0A 0 172,-2.5 174,-2.7 -2,-0.5 2,-0.6 -0.499 13.5-145.5 -73.4 134.7 4.1 4.2 -4.1 50 54 A V E -a 223 0A 1 23,-0.3 25,-2.4 -2,-0.2 26,-1.3 -0.903 8.4-165.0-102.6 118.2 6.5 6.6 -2.3 51 55 A I E -ab 224 76A 0 172,-3.2 174,-2.8 -2,-0.6 2,-0.4 -0.904 14.3-159.8-101.8 105.1 6.4 6.1 1.5 52 56 A A E -ab 225 77A 0 24,-1.8 26,-2.4 -2,-0.8 2,-0.4 -0.761 8.3-138.0 -96.7 133.3 8.1 9.2 2.8 53 57 A E E - b 0 78A 3 172,-2.6 2,-0.5 -2,-0.4 26,-0.2 -0.754 7.5-150.3-104.3 133.3 9.5 9.1 6.3 54 58 A V E + b 0 79A 1 24,-3.6 26,-2.1 -2,-0.4 2,-0.2 -0.847 40.8 138.4 -93.1 127.7 9.4 11.7 9.1 55 59 A K 0 0 55 -2,-0.5 4,-0.3 24,-0.1 31,-0.0 -0.562 360.0 360.0-143.7-157.2 12.5 11.3 11.4 56 60 A R 0 0 86 -2,-0.2 32,-0.1 2,-0.1 31,-0.0 -0.979 360.0 360.0-164.2 360.0 15.1 13.2 13.3 57 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 58 70 A T 0 0 117 0, 0.0 2,-0.9 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 -62.2 16.2 18.6 13.6 59 71 A I + 0 0 25 -4,-0.3 -5,-0.0 1,-0.2 0, 0.0 -0.589 360.0 172.3 -76.6 102.5 12.6 18.5 12.7 60 72 A A S S+ 0 0 102 -2,-0.9 -1,-0.2 1,-0.2 0, 0.0 0.732 79.2 34.9 -79.3 -20.7 10.8 21.1 14.8 61 73 A D > + 0 0 84 1,-0.1 4,-1.6 -3,-0.1 3,-0.4 -0.695 59.5 173.3-139.2 79.7 7.5 20.6 12.9 62 74 A P H > S+ 0 0 9 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.809 82.7 59.2 -58.4 -30.0 6.9 17.0 11.7 63 75 A A H > S+ 0 0 16 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.911 103.7 49.9 -64.6 -43.5 3.4 18.1 10.5 64 76 A K H > S+ 0 0 145 -3,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.878 111.6 49.4 -62.5 -38.7 4.8 20.6 8.1 65 77 A L H X S+ 0 0 17 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.933 109.6 50.7 -66.7 -44.7 7.2 18.0 6.8 66 78 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.874 107.4 54.8 -60.5 -37.3 4.4 15.5 6.3 67 79 A Q H X S+ 0 0 89 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.902 106.4 50.5 -62.8 -41.2 2.4 18.2 4.4 68 80 A A H X S+ 0 0 18 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.915 109.0 53.3 -61.1 -41.9 5.3 18.7 2.0 69 81 A Y H <>S+ 0 0 0 -4,-2.2 5,-2.3 2,-0.2 4,-0.4 0.924 110.8 44.9 -59.3 -47.6 5.4 14.9 1.5 70 82 A Q H ><5S+ 0 0 64 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.930 110.5 54.5 -62.5 -45.1 1.7 14.8 0.6 71 83 A D H 3<5S+ 0 0 91 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.823 105.8 54.6 -55.9 -33.2 2.0 17.8 -1.7 72 84 A G T 3<5S- 0 0 7 -4,-1.8 -1,-0.3 -5,-0.2 171,-0.2 0.548 126.6 -98.5 -80.5 -8.3 4.8 16.0 -3.5 73 85 A G T < 5 + 0 0 37 -3,-1.7 -23,-0.3 -4,-0.4 -3,-0.2 0.551 59.0 170.0 103.9 10.8 2.6 12.9 -4.2 74 86 A A < - 0 0 6 -5,-2.3 -1,-0.2 -6,-0.2 -23,-0.2 -0.239 27.5-150.5 -53.0 142.6 3.6 10.6 -1.4 75 87 A R S S+ 0 0 27 -25,-2.4 2,-0.3 1,-0.3 -24,-0.2 0.819 77.7 4.7 -83.2 -36.4 1.4 7.5 -1.0 76 88 A I E -b 51 0A 0 -26,-1.3 -24,-1.8 26,-0.1 2,-0.5 -0.985 67.4-133.3-146.8 147.4 1.9 7.1 2.7 77 89 A V E -bc 52 104A 0 26,-2.5 28,-3.0 -2,-0.3 2,-0.4 -0.952 17.7-152.9-106.6 126.2 3.8 9.0 5.4 78 90 A S E -bc 53 105A 0 -26,-2.4 -24,-3.6 -2,-0.5 2,-0.5 -0.822 9.1-164.5 -93.9 131.5 6.0 7.0 7.8 79 91 A V E -bc 54 106A 0 26,-3.2 28,-2.9 -2,-0.4 2,-0.6 -0.971 12.6-143.4-120.9 120.4 6.5 8.4 11.2 80 92 A V E + c 0 107A 2 -26,-2.1 9,-0.5 -2,-0.5 28,-0.2 -0.702 22.2 173.8 -82.0 119.0 9.3 7.2 13.5 81 93 A T + 0 0 8 26,-1.9 2,-0.2 -2,-0.6 9,-0.2 0.389 38.1 119.6-106.0 0.2 8.0 7.2 17.0 82 94 A E - 0 0 15 25,-0.8 6,-2.5 1,-0.1 4,-0.3 -0.511 44.2-167.9 -69.2 131.3 11.0 5.4 18.6 83 95 A Q > + 0 0 54 4,-0.3 4,-1.7 -2,-0.2 -1,-0.1 0.913 68.3 62.9 -90.0 -46.3 12.6 7.8 21.1 84 96 A R T 4 S+ 0 0 162 1,-0.2 -1,-0.1 2,-0.2 -2,-0.0 0.752 121.6 12.1 -63.1 -32.3 16.0 6.4 22.1 85 97 A R T 4 S+ 0 0 67 3,-0.0 -1,-0.2 0, 0.0 -2,-0.1 0.754 136.4 34.5-111.5 -37.9 17.8 6.7 18.7 86 98 A F T 4 S- 0 0 47 -4,-0.3 -2,-0.2 2,-0.1 -3,-0.2 0.391 92.5-128.9-105.2 1.7 15.5 8.8 16.4 87 99 A Q < + 0 0 141 -4,-1.7 -4,-0.3 1,-0.2 2,-0.1 0.809 58.7 145.6 54.8 31.7 14.1 11.2 19.0 88 100 A G - 0 0 6 -6,-2.5 2,-0.3 -32,-0.1 -7,-0.3 -0.394 25.1-176.1 -88.9 172.4 10.6 10.4 17.8 89 101 A S >> - 0 0 43 -9,-0.5 3,-1.2 -2,-0.1 4,-0.8 -0.981 43.5-102.3-162.1 164.3 7.4 10.3 19.9 90 102 A L H >> S+ 0 0 24 -2,-0.3 4,-1.9 1,-0.3 3,-0.8 0.837 116.1 70.0 -60.3 -35.1 3.7 9.6 19.7 91 103 A D H 3> S+ 0 0 118 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.852 94.1 56.9 -47.9 -37.3 3.2 13.3 19.7 92 104 A D H <> S+ 0 0 12 -3,-1.2 4,-2.7 1,-0.2 -1,-0.2 0.866 102.9 53.4 -65.9 -36.2 4.6 13.2 16.1 93 105 A L H X S+ 0 0 0 -4,-2.7 4,-1.4 1,-0.2 3,-1.0 0.922 109.2 56.7 -64.7 -44.8 1.2 14.2 11.2 97 109 A R H 3< S+ 0 0 43 -4,-2.8 3,-0.3 1,-0.3 -1,-0.2 0.895 108.5 47.3 -54.6 -42.2 -2.3 12.6 11.3 98 110 A A H 3< S+ 0 0 95 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.718 111.9 52.3 -72.4 -16.9 -3.9 16.0 11.6 99 111 A S H << S+ 0 0 26 -3,-1.0 2,-0.3 -4,-0.8 -1,-0.2 0.700 108.0 42.5 -96.6 -22.7 -1.8 17.4 8.8 100 112 A V < - 0 0 10 -4,-1.4 -33,-0.1 -3,-0.3 4,-0.1 -0.862 53.4-152.3-128.1 160.6 -2.4 14.9 6.0 101 113 A S S S+ 0 0 98 -2,-0.3 3,-0.1 2,-0.1 -1,-0.1 0.521 73.6 90.1-104.1 -12.9 -5.2 12.9 4.4 102 114 A I S S- 0 0 30 1,-0.2 -26,-0.1 -28,-0.0 -2,-0.1 -0.373 93.1 -75.7 -81.7 163.5 -3.0 10.0 3.2 103 115 A P - 0 0 11 0, 0.0 -26,-2.5 0, 0.0 2,-0.5 -0.214 43.0-142.3 -63.5 153.6 -2.3 6.9 5.3 104 116 A V E -c 77 0A 0 19,-0.3 21,-2.8 -28,-0.2 22,-1.9 -0.966 6.6-153.7-120.8 128.5 0.2 7.1 8.2 105 117 A L E -cd 78 126A 0 -28,-3.0 -26,-3.2 -2,-0.5 2,-0.7 -0.886 11.5-139.9-101.8 126.8 2.6 4.4 9.1 106 118 A R E -cd 79 127A 1 20,-2.7 22,-1.9 -2,-0.5 2,-0.7 -0.786 18.2-162.7 -82.3 116.8 3.9 4.0 12.7 107 119 A K E +c 80 0A 4 -28,-2.9 -26,-1.9 -2,-0.7 -25,-0.8 -0.892 41.1 103.0-106.7 107.0 7.5 3.1 12.4 108 120 A D S S- 0 0 10 -2,-0.7 2,-1.0 -28,-0.2 20,-0.0 -0.942 81.7 -72.4-163.5 177.5 8.8 1.7 15.7 109 121 A F - 0 0 31 -2,-0.3 2,-0.8 20,-0.1 20,-0.1 -0.786 50.9-169.5 -88.2 102.8 9.7 -1.5 17.5 110 122 A V + 0 0 4 -2,-1.0 20,-0.3 18,-0.4 23,-0.1 -0.839 26.0 145.7-102.0 108.8 6.2 -3.0 18.0 111 123 A V + 0 0 7 -2,-0.8 -1,-0.2 1,-0.2 31,-0.1 0.497 54.9 43.3-125.2 -10.7 6.5 -6.0 20.3 112 124 A Q S >> S- 0 0 50 1,-0.1 3,-1.6 30,-0.0 4,-0.6 -0.989 79.1-111.6-142.6 156.8 3.3 -6.1 22.4 113 125 A P H >> S+ 0 0 45 0, 0.0 4,-1.7 0, 0.0 3,-1.0 0.763 109.0 68.7 -57.0 -31.7 -0.5 -5.6 21.9 114 126 A Y H 3> S+ 0 0 6 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.897 97.0 54.3 -52.3 -42.2 -0.6 -2.4 23.9 115 127 A Q H <> S+ 0 0 1 -3,-1.6 4,-2.4 1,-0.2 -1,-0.3 0.758 103.3 56.5 -67.7 -24.2 1.4 -0.7 21.1 116 128 A I H S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 3,-0.3 0.928 112.8 46.0 -55.2 -46.0 -0.9 3.2 17.3 120 132 A R H ><5S+ 0 0 9 -4,-2.0 3,-1.9 1,-0.2 -2,-0.2 0.902 107.9 55.8 -66.3 -42.7 -4.6 3.2 16.4 121 133 A A H 3<5S+ 0 0 22 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.793 108.1 50.9 -59.7 -28.8 -5.5 5.7 19.2 122 134 A H T 3<5S- 0 0 43 -4,-1.5 -1,-0.3 -3,-0.3 -25,-0.2 0.272 126.4 -98.2 -97.2 10.7 -2.9 8.0 17.7 123 135 A G T < 5 + 0 0 4 -3,-1.9 -19,-0.3 1,-0.3 -3,-0.2 0.541 65.9 155.2 93.2 9.4 -4.2 7.8 14.2 124 136 A A < - 0 0 0 -5,-2.5 -1,-0.3 -6,-0.2 -19,-0.2 -0.419 23.7-175.7 -68.2 144.7 -2.0 5.2 12.5 125 137 A D S S+ 0 0 1 -21,-2.8 27,-2.0 1,-0.3 2,-0.3 0.604 75.5 34.1-105.5 -23.1 -3.4 3.3 9.5 126 138 A M E -de 105 152A 0 -22,-1.9 -20,-2.7 25,-0.2 2,-0.4 -0.952 67.7-162.9-136.3 149.7 -0.3 1.1 9.1 127 139 A L E -de 106 153A 0 25,-2.3 27,-2.6 -2,-0.3 2,-0.4 -0.997 20.4-120.7-139.3 138.8 2.0 -0.4 11.7 128 140 A L E - e 0 154A 0 -22,-1.9 2,-0.4 -2,-0.4 -18,-0.4 -0.659 23.8-174.9 -82.4 129.4 5.5 -1.9 11.3 129 141 A L E - e 0 155A 0 25,-2.6 27,-3.0 -2,-0.4 2,-0.7 -0.994 13.4-151.0-120.2 126.8 6.1 -5.5 12.5 130 142 A I E >> - e 0 156A 14 -2,-0.4 3,-1.5 -20,-0.3 4,-0.9 -0.840 5.0-159.3-103.7 111.6 9.7 -6.8 12.3 131 143 A V G >4 S+ 0 0 0 25,-2.3 3,-0.9 -2,-0.7 -1,-0.2 0.880 92.4 57.3 -57.1 -38.4 10.0 -10.5 11.7 132 144 A A G 34 S+ 0 0 53 24,-0.5 -1,-0.3 1,-0.2 25,-0.1 0.729 109.8 46.3 -65.5 -20.2 13.6 -10.6 13.2 133 145 A A G <4 S+ 0 0 18 -3,-1.5 2,-0.5 1,-0.1 -1,-0.2 0.610 107.2 64.9 -94.0 -15.1 12.2 -9.2 16.4 134 146 A L S << S- 0 0 4 -3,-0.9 -1,-0.1 -4,-0.9 -23,-0.0 -0.938 71.9-137.5-125.2 120.1 9.2 -11.4 16.8 135 147 A E >> - 0 0 130 -2,-0.5 4,-2.5 1,-0.1 3,-0.8 -0.352 42.9-101.5 -64.9 155.4 9.0 -15.2 17.4 136 148 A Q H 3> S+ 0 0 50 1,-0.3 4,-2.7 2,-0.2 5,-0.3 0.845 120.6 56.1 -55.3 -40.9 6.3 -16.7 15.2 137 149 A S H 3> S+ 0 0 79 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.911 114.0 40.6 -56.1 -43.4 3.7 -17.0 18.0 138 150 A V H <> S+ 0 0 45 -3,-0.8 4,-3.0 2,-0.2 5,-0.2 0.875 112.2 55.3 -74.7 -39.1 4.1 -13.2 18.7 139 151 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.930 110.4 45.9 -58.6 -46.7 4.2 -12.2 15.1 140 152 A V H X S+ 0 0 46 -4,-2.7 4,-2.5 -5,-0.2 5,-0.2 0.928 113.8 47.8 -65.8 -45.6 1.0 -14.0 14.3 141 153 A S H X S+ 0 0 56 -4,-1.8 4,-2.2 -5,-0.3 -2,-0.2 0.937 114.7 46.5 -57.8 -48.4 -0.8 -12.6 17.4 142 154 A M H X S+ 0 0 1 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.908 112.7 49.1 -63.2 -43.6 0.4 -9.0 16.6 143 155 A L H X S+ 0 0 1 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.933 112.0 48.5 -61.5 -46.2 -0.5 -9.3 12.9 144 156 A D H X S+ 0 0 85 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.906 112.6 47.5 -62.6 -41.5 -4.0 -10.5 13.7 145 157 A R H X S+ 0 0 78 -4,-2.2 4,-1.1 2,-0.2 6,-0.2 0.921 110.0 53.6 -67.2 -42.1 -4.6 -7.8 16.3 146 158 A T H ><>S+ 0 0 0 -4,-2.5 5,-1.9 1,-0.2 3,-0.8 0.943 113.0 43.1 -54.6 -49.1 -3.4 -5.2 13.9 147 159 A E H ><5S+ 0 0 64 -4,-2.4 3,-1.9 1,-0.2 -1,-0.2 0.855 104.9 63.2 -70.1 -33.1 -5.8 -6.3 11.2 148 160 A S H 3<5S+ 0 0 85 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.751 103.4 50.5 -61.6 -23.9 -8.7 -6.7 13.8 149 161 A L T <<5S- 0 0 47 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.374 124.3-104.9 -94.5 2.3 -8.4 -2.9 14.3 150 162 A G T < 5S+ 0 0 41 -3,-1.9 -3,-0.2 1,-0.3 2,-0.2 0.534 80.3 128.1 87.4 6.1 -8.6 -2.2 10.6 151 163 A M < - 0 0 4 -5,-1.9 2,-0.4 -6,-0.2 -1,-0.3 -0.542 54.7-127.5 -92.2 163.0 -4.9 -1.5 10.2 152 164 A T E -e 126 0A 17 -27,-2.0 -25,-2.3 -2,-0.2 2,-0.5 -0.884 17.2-136.3-109.5 137.4 -2.4 -2.9 7.8 153 165 A A E -e 127 0A 5 -2,-0.4 2,-0.9 -27,-0.2 20,-0.4 -0.825 0.8-149.9 -93.9 129.9 0.9 -4.4 9.0 154 166 A L E -e 128 0A 0 -27,-2.6 -25,-2.6 -2,-0.5 2,-0.8 -0.878 22.3-155.3 -90.5 104.0 4.1 -3.7 7.1 155 167 A V E -ef 129 174A 0 18,-2.2 20,-2.5 -2,-0.9 2,-0.4 -0.761 7.2-151.1 -91.9 109.6 5.9 -6.9 7.8 156 168 A E E +ef 130 175A 13 -27,-3.0 -25,-2.3 -2,-0.8 -24,-0.5 -0.677 18.0 177.3 -90.9 126.9 9.6 -6.3 7.6 157 169 A V E - f 0 176A 0 18,-3.2 20,-2.6 -2,-0.4 3,-0.1 -0.869 24.1-174.8-125.6 159.3 12.0 -9.1 6.5 158 170 A H S S+ 0 0 28 -2,-0.3 2,-0.3 18,-0.2 -1,-0.1 0.434 72.9 35.4-128.4 -11.5 15.7 -9.3 5.9 159 171 A T S > S- 0 0 50 1,-0.1 4,-2.1 31,-0.0 -1,-0.2 -0.940 81.1-108.9-141.5 163.7 16.0 -12.9 4.7 160 172 A E H > S+ 0 0 109 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.903 120.2 53.9 -57.0 -42.9 14.2 -15.5 2.6 161 173 A Q H > S+ 0 0 61 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.899 107.2 49.5 -61.3 -41.1 13.5 -17.4 5.8 162 174 A E H > S+ 0 0 33 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.882 109.1 54.2 -65.4 -34.8 11.9 -14.4 7.4 163 175 A A H X S+ 0 0 3 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.903 107.3 49.3 -63.7 -42.5 9.8 -13.9 4.3 164 176 A D H X S+ 0 0 101 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.927 111.3 50.1 -61.9 -44.7 8.5 -17.5 4.6 165 177 A R H X S+ 0 0 72 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.918 110.3 50.4 -57.1 -44.7 7.7 -16.8 8.2 166 178 A A H X>S+ 0 0 0 -4,-2.5 5,-2.4 1,-0.2 4,-0.6 0.916 110.8 48.4 -61.7 -43.8 5.9 -13.6 7.2 167 179 A L H ><5S+ 0 0 47 -4,-2.5 3,-1.1 1,-0.2 -1,-0.2 0.913 109.8 52.0 -62.2 -44.8 3.8 -15.4 4.6 168 180 A K H 3<5S+ 0 0 175 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.836 105.0 56.3 -61.3 -35.2 2.9 -18.2 7.0 169 181 A A H 3<5S- 0 0 9 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.639 125.5-102.7 -72.4 -15.3 1.7 -15.6 9.5 170 182 A G T <<5 + 0 0 38 -3,-1.1 -3,-0.2 -4,-0.6 -2,-0.1 0.640 55.3 177.3 101.8 19.6 -0.7 -14.3 6.9 171 183 A A < - 0 0 9 -5,-2.4 -1,-0.2 -6,-0.2 3,-0.1 -0.260 17.1-177.7 -55.3 139.6 1.3 -11.1 5.8 172 184 A K S S+ 0 0 107 -19,-0.3 27,-2.6 1,-0.3 2,-0.4 0.558 75.8 41.7-108.6 -21.0 -0.3 -9.1 3.0 173 185 A V E - g 0 199A 0 -20,-0.4 -18,-2.2 25,-0.2 2,-0.5 -0.988 69.7-170.7-131.7 120.7 2.4 -6.5 2.8 174 186 A I E -fg 155 200A 0 25,-3.0 27,-2.6 -2,-0.4 2,-0.4 -0.959 3.1-163.9-119.5 127.1 6.1 -7.5 3.0 175 187 A G E -fg 156 201A 0 -20,-2.5 -18,-3.2 -2,-0.5 2,-0.6 -0.872 11.0-143.4-107.0 140.8 8.9 -5.0 3.3 176 188 A V E -fg 157 202A 5 25,-2.9 27,-2.2 -2,-0.4 2,-0.6 -0.918 12.6-168.9-107.9 116.7 12.5 -5.8 2.7 177 189 A N - 0 0 17 -20,-2.6 6,-0.1 -2,-0.6 25,-0.0 -0.919 10.2-161.0-104.0 121.6 15.1 -4.1 4.9 178 190 A A + 0 0 14 -2,-0.6 5,-2.7 4,-0.1 2,-0.3 0.655 67.6 88.4 -76.3 -15.3 18.7 -4.5 3.7 179 191 A R 0 0 52 3,-0.2 -2,-0.1 1,-0.1 25,-0.0 -0.662 360.0 360.0 -89.5 140.2 20.1 -3.6 7.2 180 192 A D 0 0 183 -2,-0.3 -1,-0.1 -22,-0.0 -48,-0.0 0.713 360.0 360.0 -86.8 360.0 20.7 -6.3 9.8 181 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 182 198 A V 0 0 121 0, 0.0 2,-1.1 0, 0.0 -3,-0.2 0.000 360.0 360.0 360.0 125.0 23.9 -4.2 4.8 183 199 A D > - 0 0 35 -5,-2.7 3,-1.7 1,-0.1 4,-0.2 -0.768 360.0-164.6 -84.6 100.9 22.9 -6.9 2.3 184 200 A R T 3 S+ 0 0 88 -2,-1.1 -1,-0.1 1,-0.3 3,-0.1 0.495 84.8 46.1 -72.4 -3.4 23.0 -4.8 -0.9 185 201 A D T 3> S+ 0 0 109 -7,-0.1 4,-1.4 1,-0.1 -1,-0.3 0.028 76.8 119.8-125.5 26.8 21.1 -7.4 -2.9 186 202 A C H <> S+ 0 0 4 -3,-1.7 4,-1.3 1,-0.2 3,-0.3 0.921 70.6 49.3 -57.2 -56.0 18.4 -8.1 -0.3 187 203 A F H > S+ 0 0 9 1,-0.2 4,-3.2 -4,-0.2 3,-0.3 0.877 112.8 47.6 -60.3 -38.2 15.3 -7.2 -2.3 188 204 A A H 4 S+ 0 0 62 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.794 108.8 54.5 -73.5 -29.4 16.2 -9.2 -5.4 189 205 A R H < S+ 0 0 114 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.752 124.1 25.4 -71.3 -25.2 17.1 -12.3 -3.3 190 206 A I H >< S+ 0 0 4 -4,-1.3 3,-1.2 -3,-0.3 4,-0.3 0.803 104.0 70.9-111.4 -43.3 13.6 -12.2 -1.7 191 207 A A G >< S+ 0 0 0 -4,-3.2 3,-1.9 1,-0.3 -3,-0.1 0.856 92.9 58.4 -51.8 -45.6 11.0 -10.5 -4.0 192 208 A P G 3 S+ 0 0 103 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.802 100.7 58.7 -58.9 -29.3 10.8 -13.2 -6.7 193 209 A G G < S+ 0 0 64 -3,-1.2 -2,-0.2 -4,-0.1 3,-0.1 0.524 86.3 98.5 -78.1 -7.2 9.8 -15.8 -4.0 194 210 A L S < S- 0 0 11 -3,-1.9 6,-0.1 -4,-0.3 -30,-0.0 -0.564 85.1-102.5 -84.5 144.4 6.7 -13.8 -3.0 195 211 A P > - 0 0 65 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 -0.311 32.6-120.2 -56.7 148.7 3.1 -14.6 -4.2 196 212 A S T 3 S+ 0 0 114 1,-0.3 4,-0.1 -3,-0.1 -2,-0.1 0.804 111.5 61.8 -63.2 -27.5 2.2 -12.0 -6.9 197 213 A S T 3 S+ 0 0 90 2,-0.1 2,-0.3 0, 0.0 -1,-0.3 0.678 84.8 91.0 -73.9 -20.8 -0.8 -11.0 -4.7 198 214 A V S < S- 0 0 12 -3,-1.2 2,-0.3 1,-0.1 -25,-0.2 -0.606 83.2-118.4 -79.6 135.5 1.4 -9.9 -1.8 199 215 A I E -g 173 0A 10 -27,-2.6 -25,-3.0 -2,-0.3 2,-0.5 -0.586 26.8-148.5 -75.6 131.7 2.5 -6.2 -1.8 200 216 A R E -g 174 0A 31 -2,-0.3 21,-3.2 19,-0.3 22,-1.3 -0.897 14.5-174.5-108.9 125.2 6.3 -5.7 -2.0 201 217 A I E -gh 175 222A 0 -27,-2.6 -25,-2.9 -2,-0.5 2,-0.7 -0.965 17.6-149.9-121.7 128.8 8.0 -2.8 -0.4 202 218 A A E +gh 176 223A 1 20,-2.1 22,-2.5 -2,-0.4 -25,-0.1 -0.870 17.3 179.0 -93.2 116.2 11.7 -1.9 -0.7 203 219 A E + 0 0 17 -27,-2.2 2,-0.3 -2,-0.7 -26,-0.2 0.533 54.2 58.8 -94.3 -9.5 12.6 -0.2 2.6 204 220 A S S S+ 0 0 22 -28,-0.6 -17,-0.1 1,-0.1 -28,-0.0 -0.894 89.1 18.7-128.2 150.6 16.3 0.5 2.0 205 221 A G + 0 0 29 -2,-0.3 2,-0.9 1,-0.2 -1,-0.1 0.707 61.8 148.0 77.6 23.6 18.7 2.2 -0.3 206 222 A V + 0 0 10 18,-0.4 20,-0.3 1,-0.2 -1,-0.2 -0.803 3.7 148.4 -95.5 103.7 16.5 4.8 -2.1 207 223 A R - 0 0 198 -2,-0.9 2,-0.2 1,-0.2 -1,-0.2 0.736 66.2 -19.3-101.2 -32.6 18.7 7.8 -2.9 208 224 A G S > S- 0 0 26 34,-0.0 4,-1.8 33,-0.0 3,-0.3 -0.857 86.0 -63.6-159.3-169.0 17.2 9.0 -6.1 209 225 A T H > S+ 0 0 62 -2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.875 122.9 59.7 -62.3 -37.5 15.0 8.1 -9.1 210 226 A A H > S+ 0 0 70 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.913 106.4 46.8 -58.7 -43.6 17.5 5.5 -10.3 211 227 A D H > S+ 0 0 51 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.910 112.1 50.0 -65.2 -44.0 17.2 3.5 -7.1 212 228 A L H X S+ 0 0 4 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.941 112.2 48.1 -57.9 -47.4 13.4 3.7 -7.1 213 229 A L H X S+ 0 0 72 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.886 108.0 54.8 -62.5 -39.1 13.3 2.5 -10.7 214 230 A A H X S+ 0 0 67 -4,-2.3 4,-0.8 -5,-0.2 -1,-0.2 0.915 111.0 44.8 -62.4 -41.9 15.6 -0.3 -10.0 215 231 A Y H ><>S+ 0 0 49 -4,-2.1 5,-2.7 2,-0.2 3,-0.5 0.905 112.0 53.2 -66.0 -40.3 13.3 -1.6 -7.2 216 232 A A H ><5S+ 0 0 30 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.917 107.1 51.4 -59.5 -43.6 10.3 -1.0 -9.5 217 233 A G H 3<5S+ 0 0 75 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.709 107.9 54.0 -66.2 -21.4 12.0 -3.2 -12.2 218 234 A A T <<5S- 0 0 44 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.325 131.3 -90.5 -95.6 4.8 12.6 -5.9 -9.6 219 235 A G T < 5 + 0 0 29 -3,-1.6 -19,-0.3 1,-0.3 -3,-0.2 0.502 69.7 155.6 104.7 6.7 8.9 -5.9 -8.7 220 236 A A < - 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