==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-NOV-06 2O0D . COMPND 2 MOLECULE: 3-PHOSPHOSHIKIMATE 1-CARBOXYVINYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR G.S.KACHALOVA,H.D.BARTUNIK,MYCOBACTERIUM TUBERCULOSIS . 424 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15009.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 304 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 12.3 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 . 2 0.5 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 . 30 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 112 26.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 0 0 0 0 0 4 1 2 1 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 3 1 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 . 1 2 4 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 5 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 M 0 0 179 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 130.8 4.8 2.4 22.6 2 2 A K - 0 0 169 1,-0.1 2,-0.0 402,-0.0 0, 0.0 -0.406 360.0-119.3 -64.1 142.8 5.9 2.2 26.2 3 3 A T - 0 0 37 401,-0.1 400,-0.2 -2,-0.1 -1,-0.1 -0.197 19.5-123.0 -73.0 175.5 4.5 4.9 28.5 4 4 A W E -A 402 0A 37 398,-2.4 398,-2.8 2,-0.0 2,-0.3 -0.960 19.1-137.1-123.5 114.7 6.7 7.4 30.3 5 5 A P E -A 401 0A 73 0, 0.0 396,-0.2 0, 0.0 386,-0.0 -0.560 18.7-130.7 -75.0 128.1 6.3 7.4 34.1 6 6 A A - 0 0 7 394,-2.7 394,-0.4 -2,-0.3 393,-0.3 -0.719 27.0-120.8 -80.8 122.2 6.4 11.0 35.3 7 7 A P - 0 0 41 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.337 24.6-129.4 -65.0 140.1 8.8 11.2 38.2 8 8 A T - 0 0 59 388,-0.1 387,-0.2 -2,-0.1 388,-0.2 -0.491 2.6-142.4 -84.7 159.4 7.4 12.3 41.6 9 9 A A + 0 0 10 386,-2.9 4,-0.1 385,-0.2 -1,-0.0 -0.801 24.0 170.5-117.7 82.7 8.9 15.1 43.8 10 10 A P S S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 386,-0.0 0.717 77.4 28.2 -68.4 -14.2 8.4 13.8 47.3 11 11 A T S S- 0 0 99 -3,-0.1 244,-0.1 1,-0.0 243,-0.1 -0.921 112.6 -63.6-136.9 166.1 10.6 16.8 48.4 12 12 A P - 0 0 45 0, 0.0 2,-0.2 0, 0.0 242,-0.1 -0.157 51.6-118.4 -58.7 139.3 11.3 20.2 46.8 13 13 A V - 0 0 7 236,-0.4 243,-2.9 -4,-0.1 2,-0.4 -0.530 30.8-175.5 -74.6 135.1 12.9 20.3 43.4 14 14 A R E +c 256 0B 186 408,-0.4 2,-0.3 -2,-0.2 243,-0.2 -0.947 23.7 129.2-136.6 115.2 16.2 22.0 43.2 15 15 A A E -c 257 0B 23 241,-2.0 243,-2.3 -2,-0.4 2,-0.5 -0.993 51.3-132.0-164.7 153.0 17.9 22.4 39.9 16 16 A T E -c 258 0B 96 -2,-0.3 2,-0.4 241,-0.2 243,-0.2 -0.974 37.0-170.9-109.1 126.0 19.6 24.6 37.3 17 17 A V E -c 259 0B 9 241,-3.1 243,-2.2 -2,-0.5 2,-0.6 -0.953 18.9-158.7-126.4 138.1 18.1 24.0 33.8 18 18 A T - 0 0 87 -2,-0.4 243,-0.1 241,-0.2 241,-0.1 -0.973 14.2-164.8-110.6 120.9 19.2 25.0 30.4 19 19 A V - 0 0 4 -2,-0.6 3,-0.1 241,-0.4 393,-0.1 -0.785 21.9-115.2-103.1 147.7 16.4 24.9 27.8 20 20 A P - 0 0 44 0, 0.0 219,-2.8 0, 0.0 30,-0.2 0.042 51.8 -51.0 -72.1-173.9 17.1 25.1 24.1 21 21 A G B -F 238 0C 5 217,-0.3 2,-0.3 28,-0.3 218,-0.1 -0.049 60.7 -88.9 -68.3 161.9 16.2 27.9 21.7 22 22 A S > - 0 0 1 215,-2.6 4,-2.5 1,-0.2 28,-0.4 -0.480 26.2-152.6 -63.8 123.8 12.9 29.5 21.1 23 23 A K H > S+ 0 0 11 -2,-0.3 4,-2.7 2,-0.2 5,-0.3 0.922 96.1 50.3 -63.5 -43.8 10.8 27.7 18.4 24 24 A S H > S+ 0 0 6 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.924 115.0 41.5 -64.0 -40.3 9.0 30.9 17.4 25 25 A Q H > S+ 0 0 8 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.918 113.8 52.7 -74.2 -41.3 12.2 33.0 17.1 26 26 A T H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.933 110.5 46.8 -59.4 -46.6 14.1 30.2 15.3 27 27 A N H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.855 112.1 50.3 -71.7 -30.5 11.5 29.7 12.7 28 28 A R H X S+ 0 0 3 -4,-1.6 4,-2.7 -5,-0.3 5,-0.2 0.919 110.6 50.0 -63.3 -44.3 11.1 33.5 12.1 29 29 A A H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 5,-0.3 0.894 108.7 53.0 -62.4 -37.8 14.9 33.8 11.7 30 30 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.938 111.4 45.5 -63.0 -43.8 14.9 30.9 9.2 31 31 A V H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.939 115.2 46.4 -63.8 -44.0 12.2 32.6 7.1 32 32 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.908 112.5 50.1 -69.5 -38.5 14.0 36.0 7.2 33 33 A A H X S+ 0 0 0 -4,-3.1 4,-2.5 -5,-0.2 -1,-0.2 0.904 110.1 51.7 -62.0 -38.9 17.3 34.4 6.4 34 34 A A H X S+ 0 0 0 -4,-2.2 4,-2.8 -5,-0.3 -2,-0.2 0.939 110.3 48.2 -63.4 -43.3 15.7 32.7 3.5 35 35 A L H X S+ 0 0 1 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.920 111.7 49.3 -64.3 -42.6 14.2 35.9 2.2 36 36 A A H <>S+ 0 0 0 -4,-2.6 5,-2.7 2,-0.2 6,-0.4 0.932 113.7 45.7 -62.8 -44.1 17.6 37.7 2.5 37 37 A A H ><5S+ 0 0 1 -4,-2.5 3,-1.6 1,-0.2 5,-0.3 0.927 111.5 52.2 -66.6 -38.3 19.4 34.9 0.7 38 38 A A H 3<5S+ 0 0 29 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.800 105.4 55.8 -68.7 -26.8 16.7 34.8 -2.0 39 39 A Q T 3<5S- 0 0 45 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.453 123.2-106.7 -79.3 -3.3 17.0 38.6 -2.5 40 40 A G T < 5S+ 0 0 36 -3,-1.6 -3,-0.2 -4,-0.3 -2,-0.1 0.664 83.4 127.6 87.6 19.3 20.7 38.0 -3.2 41 41 A R < - 0 0 126 -5,-2.7 190,-0.2 1,-0.3 -4,-0.2 0.548 67.7-116.0 -87.3 -2.0 22.0 39.4 0.1 42 42 A G - 0 0 39 -6,-0.4 -1,-0.3 -5,-0.3 2,-0.1 -0.471 46.9 -30.7 101.9-175.8 24.1 36.4 1.0 43 43 A A - 0 0 57 -2,-0.2 2,-0.3 -3,-0.1 36,-0.2 -0.445 48.1-160.0 -81.5 154.5 24.1 33.7 3.7 44 44 A S E -G 78 0D 4 34,-1.7 34,-3.1 -2,-0.1 2,-0.4 -0.964 6.0-147.5-130.4 146.1 22.9 34.2 7.3 45 45 A T E -G 77 0D 28 -2,-0.3 189,-2.5 32,-0.2 2,-0.6 -0.925 2.5-154.0-116.4 139.7 23.7 32.2 10.4 46 46 A I E > -Gh 76 234D 0 30,-3.4 30,-2.3 -2,-0.4 3,-0.5 -0.967 14.8-157.0-111.3 118.9 21.4 31.6 13.2 47 47 A S E 3 S+ h 0 235D 29 187,-3.4 189,-3.0 -2,-0.6 28,-0.2 -0.807 74.0 15.9-102.7 136.7 23.2 30.9 16.5 48 48 A G T 3 S+ 0 0 24 -2,-0.4 -1,-0.2 26,-0.3 -27,-0.2 0.655 86.4 172.6 78.3 15.5 21.5 29.0 19.4 49 49 A A < - 0 0 4 25,-2.4 2,-0.3 -3,-0.5 -28,-0.3 -0.169 36.4-111.3 -53.4 140.6 18.8 27.8 17.0 50 50 A L - 0 0 0 -28,-0.4 2,-0.6 -30,-0.2 -1,-0.1 -0.619 22.3-152.1 -68.0 133.9 16.4 25.2 18.3 51 51 A R + 0 0 66 -2,-0.3 2,-0.3 360,-0.1 3,-0.1 -0.946 46.3 120.7-107.0 109.1 16.8 21.8 16.8 52 52 A S S > S- 0 0 7 -2,-0.6 4,-2.9 360,-0.1 5,-0.3 -0.913 78.0 -85.7-155.9 175.6 13.3 20.2 17.0 53 53 A R H > S+ 0 0 86 356,-3.1 4,-2.9 -2,-0.3 5,-0.2 0.939 124.9 51.3 -62.5 -42.9 10.6 18.7 14.8 54 54 A D H > S+ 0 0 0 356,-2.3 4,-1.3 355,-0.3 -1,-0.2 0.860 115.0 40.9 -63.5 -36.2 9.1 22.1 14.2 55 55 A T H > S+ 0 0 0 355,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.832 113.5 53.4 -81.6 -28.1 12.4 23.8 13.2 56 56 A E H X S+ 0 0 71 -4,-2.9 4,-2.8 2,-0.2 5,-0.2 0.902 108.2 51.6 -66.3 -38.4 13.5 20.7 11.2 57 57 A L H X S+ 0 0 11 -4,-2.9 4,-2.2 -5,-0.3 -1,-0.2 0.916 111.1 49.0 -61.8 -37.7 10.2 20.9 9.3 58 58 A M H X S+ 0 0 0 -4,-1.3 4,-2.4 -5,-0.2 -2,-0.2 0.934 112.9 44.4 -68.4 -44.2 10.9 24.6 8.6 59 59 A L H X S+ 0 0 7 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.896 114.7 49.5 -72.5 -31.7 14.5 24.1 7.4 60 60 A D H X S+ 0 0 71 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.865 109.3 54.1 -67.7 -35.5 13.3 21.1 5.3 61 61 A A H X S+ 0 0 2 -4,-2.2 4,-1.5 -5,-0.2 -2,-0.2 0.922 108.4 47.7 -61.7 -43.4 10.6 23.4 3.9 62 62 A L H <>S+ 0 0 0 -4,-2.4 5,-2.1 1,-0.2 4,-0.2 0.912 111.6 50.6 -65.1 -38.0 13.1 26.0 2.9 63 63 A Q H ><5S+ 0 0 79 -4,-2.1 3,-1.3 1,-0.2 -1,-0.2 0.863 105.4 56.5 -69.1 -30.8 15.2 23.3 1.3 64 64 A T H 3<5S+ 0 0 45 -4,-2.2 21,-0.6 1,-0.3 -1,-0.2 0.851 105.3 52.3 -61.6 -33.3 12.1 22.1 -0.6 65 65 A L T 3<5S- 0 0 0 -4,-1.5 18,-2.1 -3,-0.2 -1,-0.3 0.507 132.2 -98.1 -80.7 -4.8 11.9 25.7 -1.9 66 66 A G T < 5S+ 0 0 25 -3,-1.3 15,-0.5 1,-0.3 -3,-0.2 0.222 81.1 127.7 109.5 -9.7 15.5 25.3 -3.0 67 67 A L < - 0 0 7 -5,-2.1 2,-0.4 13,-0.2 -1,-0.3 -0.223 54.1-126.5 -73.6 168.2 17.5 27.0 -0.3 68 68 A R E -I 79 0D 149 11,-2.9 11,-2.3 -34,-0.0 2,-0.5 -0.971 20.8-172.3-113.9 130.9 20.4 25.3 1.5 69 69 A V E -I 78 0D 13 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.961 9.4-173.8-128.4 111.8 20.4 25.1 5.3 70 70 A D E +I 77 0D 59 7,-2.4 7,-2.6 -2,-0.5 2,-0.1 -0.767 29.6 94.6 -98.0 148.9 23.6 23.8 6.8 71 71 A G - 0 0 34 -2,-0.3 5,-0.1 5,-0.2 -2,-0.0 -0.067 41.0-155.1 143.3 127.5 24.4 22.9 10.5 72 72 A V S S+ 0 0 152 -2,-0.1 2,-0.1 3,-0.1 4,-0.1 0.579 85.0 27.6 -98.2 -10.9 24.4 19.8 12.6 73 73 A G S S- 0 0 35 2,-0.4 -24,-0.0 -23,-0.0 0, 0.0 -0.101 120.0 -50.5-119.5-136.9 24.0 21.5 16.0 74 74 A S S S+ 0 0 46 -2,-0.1 -25,-2.4 -26,-0.1 2,-0.7 0.476 109.7 87.0 -89.0 3.3 22.4 24.8 17.0 75 75 A E - 0 0 82 -28,-0.2 -2,-0.4 -27,-0.2 2,-0.4 -0.900 59.1-177.8-106.8 111.2 24.2 26.9 14.5 76 76 A L E -G 46 0D 1 -30,-2.3 -30,-3.4 -2,-0.7 2,-0.5 -0.923 11.5-160.0-111.1 134.4 22.3 27.0 11.2 77 77 A T E -GI 45 70D 40 -7,-2.6 -7,-2.4 -2,-0.4 2,-0.4 -0.962 6.1-160.1-117.9 129.3 23.4 28.8 8.0 78 78 A V E +GI 44 69D 0 -34,-3.1 -34,-1.7 -2,-0.5 2,-0.3 -0.901 23.3 148.1-107.3 134.6 20.9 29.6 5.3 79 79 A S E + I 0 68D 32 -11,-2.3 -11,-2.9 -2,-0.4 2,-0.2 -0.948 25.2 50.8-151.6 170.5 22.0 30.4 1.7 80 80 A G S S- 0 0 29 -2,-0.3 -40,-0.3 -13,-0.2 2,-0.3 -0.660 71.7 -60.0 107.0-157.7 20.9 30.1 -1.9 81 81 A R - 0 0 118 -15,-0.5 2,-1.0 -2,-0.2 -43,-0.1 -0.860 40.8-102.4-127.0 159.4 17.8 31.0 -3.9 82 82 A I + 0 0 27 -2,-0.3 -16,-0.2 -44,-0.2 28,-0.2 -0.779 63.9 138.1 -82.5 109.6 14.1 30.2 -4.0 83 83 A E - 0 0 130 -18,-2.1 -1,-0.1 -2,-1.0 -2,-0.1 -0.537 35.1-162.9-152.9 71.8 14.1 27.8 -6.9 84 84 A P - 0 0 13 0, 0.0 -19,-0.2 0, 0.0 3,-0.1 -0.332 16.9-120.4 -68.7 149.6 11.8 24.9 -6.2 85 85 A G > - 0 0 37 -21,-0.6 3,-1.5 1,-0.2 2,-0.1 -0.228 44.2 -75.1 -76.6 170.5 12.0 21.7 -8.2 86 86 A P T 3 S+ 0 0 133 0, 0.0 -1,-0.2 0, 0.0 27,-0.0 -0.389 122.6 18.3 -61.3 136.8 9.1 20.2 -10.2 87 87 A G T 3 S- 0 0 73 1,-0.2 26,-0.1 25,-0.1 -2,-0.1 0.746 85.6-176.6 75.4 15.1 6.6 18.7 -7.8 88 88 A A < - 0 0 11 -3,-1.5 26,-2.3 24,-0.4 2,-0.4 -0.302 0.2-174.7 -51.6 131.8 7.9 20.6 -4.8 89 89 A R E -j 114 0E 142 24,-0.2 2,-0.5 59,-0.0 26,-0.2 -0.955 13.7-151.5-138.9 112.0 5.9 19.5 -1.7 90 90 A V E -j 115 0E 0 24,-3.3 26,-2.7 -2,-0.4 2,-0.7 -0.725 9.6-145.5 -85.5 129.9 6.4 21.1 1.7 91 91 A D E -j 116 0E 85 -2,-0.5 26,-0.2 24,-0.2 -30,-0.1 -0.856 15.5-176.4 -88.3 114.2 5.7 18.8 4.6 92 92 A C > - 0 0 1 24,-3.4 3,-2.3 -2,-0.7 7,-0.3 0.544 11.1-171.1 -88.6 -5.9 4.2 21.0 7.4 93 93 A G T 3 - 0 0 0 1,-0.3 25,-2.1 23,-0.2 -1,-0.2 -0.309 68.8 -45.4 52.8-129.1 4.0 18.2 10.0 94 94 A L T 3 S+ 0 0 6 23,-0.2 2,-0.9 26,-0.1 -1,-0.3 0.065 104.2 129.1-113.9 18.5 2.0 19.7 12.9 95 95 A A <> - 0 0 1 -3,-2.3 4,-2.4 1,-0.2 3,-0.5 -0.632 40.6-169.6 -82.4 103.8 4.0 23.0 12.7 96 96 A G H > S+ 0 0 2 -2,-0.9 4,-2.6 1,-0.2 5,-0.3 0.896 87.4 58.9 -55.3 -40.9 1.7 26.0 12.5 97 97 A T H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.844 108.5 43.2 -63.8 -32.6 4.7 28.2 11.7 98 98 A V H > S+ 0 0 0 -3,-0.5 4,-1.7 -6,-0.3 -1,-0.2 0.938 115.1 49.8 -73.8 -45.3 5.5 26.1 8.6 99 99 A L H < S+ 0 0 3 -4,-2.4 -2,-0.2 -7,-0.3 -1,-0.2 0.836 124.6 29.2 -56.1 -38.0 1.9 25.9 7.5 100 100 A R H < S+ 0 0 3 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.772 123.6 42.4 -99.8 -28.4 1.4 29.7 7.9 101 101 A F H X S+ 0 0 0 -4,-2.4 4,-1.0 -5,-0.3 -3,-0.2 0.715 109.5 53.0 -96.2 -21.9 4.8 31.3 7.2 102 102 A V H X S+ 0 0 0 -4,-1.7 4,-3.0 -5,-0.3 5,-0.3 0.868 93.1 66.1 -88.1 -32.3 6.0 29.3 4.2 103 103 A P H > S+ 0 0 0 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.912 106.2 45.7 -55.1 -40.2 3.0 29.6 1.7 104 104 A P H >4 S+ 0 0 0 0, 0.0 3,-0.8 0, 0.0 4,-0.4 0.975 113.5 47.9 -61.6 -51.5 3.7 33.4 1.4 105 105 A L H >< S+ 0 0 0 -4,-1.0 3,-2.1 1,-0.3 4,-0.1 0.921 109.9 54.3 -51.4 -47.1 7.4 33.0 1.0 106 106 A A H >< S+ 0 0 1 -4,-3.0 3,-2.1 1,-0.3 -1,-0.3 0.789 91.3 71.8 -62.0 -27.4 6.7 30.3 -1.6 107 107 A A T << S+ 0 0 0 -4,-1.3 45,-0.6 -3,-0.8 -1,-0.3 0.712 86.5 70.5 -63.3 -10.7 4.6 32.7 -3.6 108 108 A L T < S+ 0 0 32 -3,-2.1 -1,-0.3 -4,-0.4 -2,-0.2 0.586 86.2 82.4 -76.5 -15.7 7.9 34.4 -4.4 109 109 A G S < S- 0 0 3 -3,-2.1 44,-3.9 2,-0.2 45,-0.2 -0.327 77.2-134.1 -89.4 173.2 9.0 31.5 -6.7 110 110 A S S S+ 0 0 88 42,-0.3 -1,-0.1 43,-0.2 -3,-0.1 0.347 88.9 73.1-108.6 7.6 8.0 30.8 -10.3 111 111 A V S S- 0 0 50 -5,-0.2 40,-0.3 -25,-0.0 -2,-0.2 -0.984 88.5-116.1-121.0 124.9 7.2 27.2 -9.6 112 112 A P - 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