==== 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 LIGASE 28-SEP-09 3K1T . COMPND 2 MOLECULE: GLUTAMATE--CYSTEINE LIGASE GSHA; . SOURCE 2 ORGANISM_SCIENTIFIC: METHYLOBACILLUS FLAGELLATUS KT; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 424 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19247.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 286 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 16.0 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 34 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 1 0 0 1 0 0 0 2 1 1 0 0 0 0 1 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 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 . 0 3 1 1 3 3 0 1 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 1 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 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 0 A G 0 0 134 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -30.9 63.8 79.7 6.1 2 1 A X - 0 0 120 1,-0.0 2,-0.2 381,-0.0 381,-0.0 -0.658 360.0-128.8 -72.0 118.3 61.1 80.9 8.5 3 2 A X - 0 0 118 -2,-0.6 -1,-0.0 334,-0.0 334,-0.0 -0.492 31.6-176.1 -68.6 135.5 61.0 78.2 11.4 4 3 A V - 0 0 53 -2,-0.2 334,-0.3 332,-0.1 332,-0.1 -0.841 33.0 -81.6-126.1 164.9 57.4 76.8 12.0 5 4 A P - 0 0 7 0, 0.0 2,-0.3 0, 0.0 332,-0.2 -0.387 43.7-167.3 -65.6 146.8 56.0 74.4 14.6 6 5 A H E -A 336 0A 125 330,-2.4 330,-2.0 332,-0.1 2,-0.1 -0.975 26.8-103.4-129.4 148.3 56.3 70.7 14.0 7 6 A L E -A 335 0A 32 -2,-0.3 328,-0.2 328,-0.2 46,-0.1 -0.432 18.6-157.1 -64.0 140.8 54.7 67.7 15.7 8 7 A T + 0 0 89 326,-1.7 2,-0.4 -2,-0.1 -1,-0.1 -0.002 68.8 83.5-107.3 23.7 56.9 65.8 18.2 9 8 A T - 0 0 31 1,-0.1 -2,-0.1 325,-0.1 325,-0.0 -0.983 58.7-159.4-126.9 144.6 54.8 62.7 17.8 10 9 A A S S+ 0 0 101 -2,-0.4 2,-1.5 1,-0.1 3,-0.2 0.535 75.4 94.2 -91.7 -10.8 55.0 59.9 15.3 11 10 A L + 0 0 55 1,-0.2 -1,-0.1 42,-0.1 4,-0.1 -0.641 43.1 126.6 -86.8 88.2 51.5 58.7 16.1 12 11 A T > + 0 0 31 -2,-1.5 4,-2.6 43,-0.1 5,-0.3 0.233 24.1 115.9-125.1 5.5 49.7 60.7 13.4 13 12 A G H > S+ 0 0 42 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.893 79.8 47.2 -49.2 -49.0 47.6 58.0 11.7 14 13 A P H > S+ 0 0 11 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.907 111.3 50.4 -65.5 -37.4 44.2 59.5 12.6 15 14 A L H > S+ 0 0 2 39,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.928 112.5 47.3 -60.6 -46.2 45.2 63.0 11.6 16 15 A L H X S+ 0 0 52 -4,-2.6 4,-2.6 38,-0.3 -1,-0.2 0.878 110.0 53.1 -67.3 -33.9 46.4 61.7 8.2 17 16 A T H X S+ 0 0 41 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.930 110.6 47.4 -62.6 -48.7 43.1 59.7 7.8 18 17 A L H X S+ 0 0 2 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.942 111.8 50.1 -54.3 -50.9 41.1 62.9 8.5 19 18 A E H X S+ 0 0 1 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.915 110.6 50.0 -56.3 -45.0 43.3 64.8 6.0 20 19 A K H X S+ 0 0 113 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.904 110.4 49.6 -60.1 -44.3 42.8 62.1 3.4 21 20 A R H < S+ 0 0 90 -4,-2.4 4,-0.3 1,-0.2 3,-0.3 0.913 112.7 47.4 -61.6 -42.7 39.0 62.1 3.9 22 21 A L H >< S+ 0 0 1 -4,-2.6 3,-1.1 1,-0.2 -2,-0.2 0.913 112.9 48.4 -63.6 -42.9 38.9 65.9 3.6 23 22 A L H 3< S+ 0 0 19 -4,-2.5 -1,-0.2 1,-0.3 3,-0.2 0.637 110.8 50.5 -78.2 -13.6 41.0 65.9 0.4 24 23 A D T 3< S+ 0 0 135 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.416 120.1 36.7 -95.0 -2.9 38.9 63.1 -1.2 25 24 A N S <> S+ 0 0 25 -3,-1.1 4,-2.7 -4,-0.3 5,-0.2 0.042 75.5 130.5-133.0 25.3 35.7 65.1 -0.5 26 25 A X H > S+ 0 0 53 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.923 77.0 39.7 -60.5 -51.7 36.7 68.7 -1.0 27 26 A P H > S+ 0 0 97 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.902 115.7 53.2 -64.1 -37.1 33.9 70.0 -3.3 28 27 A R H > S+ 0 0 129 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.919 110.7 48.1 -59.6 -43.1 31.3 68.0 -1.3 29 28 A I H X S+ 0 0 0 -4,-2.7 4,-2.6 -7,-0.2 -1,-0.2 0.924 112.5 46.4 -61.8 -48.9 32.5 69.7 1.9 30 29 A E H X S+ 0 0 31 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.905 113.0 50.0 -66.2 -38.7 32.5 73.2 0.4 31 30 A H H X S+ 0 0 119 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.929 110.3 51.7 -61.7 -41.7 29.0 72.6 -1.1 32 31 A W H X S+ 0 0 17 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.940 108.7 49.6 -62.7 -45.8 27.8 71.4 2.3 33 32 A F H X S+ 0 0 2 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.934 108.4 53.6 -59.8 -44.9 29.2 74.5 4.1 34 33 A R H X S+ 0 0 144 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.917 107.5 50.9 -56.7 -42.1 27.4 76.7 1.6 35 34 A S H X S+ 0 0 46 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.901 111.2 49.8 -59.2 -40.8 24.1 74.9 2.3 36 35 A Q H X S+ 0 0 17 -4,-2.2 4,-2.7 1,-0.2 3,-0.4 0.923 109.0 49.3 -64.8 -44.4 24.7 75.5 6.1 37 36 A W H X S+ 0 0 18 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.844 105.3 59.0 -67.8 -30.3 25.5 79.2 5.7 38 37 A Q H < S+ 0 0 169 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.860 114.6 37.8 -63.2 -36.4 22.3 79.7 3.6 39 38 A E H < S+ 0 0 125 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.886 133.6 19.4 -78.9 -41.1 20.3 78.4 6.5 40 39 A Y H < S- 0 0 45 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.662 83.0-144.9-110.5 -16.4 22.2 79.9 9.5 41 40 A G < - 0 0 33 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.1 -0.360 25.9-107.0 70.6-164.7 24.3 82.9 8.4 42 41 A A - 0 0 8 -2,-0.1 309,-0.1 375,-0.1 372,-0.1 -0.952 30.8 -91.3-151.6 156.5 27.6 83.3 10.3 43 42 A P - 0 0 17 0, 0.0 307,-0.5 0, 0.0 3,-0.1 -0.251 37.6-110.0 -66.6 165.1 28.8 85.8 12.9 44 43 A F S S- 0 0 6 1,-0.2 306,-1.8 305,-0.2 2,-0.3 0.906 95.9 -12.3 -58.7 -47.1 30.6 89.1 11.9 45 44 A Y E +C 349 0B 3 304,-0.3 2,-0.3 19,-0.2 304,-0.2 -0.970 68.1 165.4-152.6 163.3 33.8 87.7 13.2 46 45 A A E -C 348 0B 0 302,-2.0 302,-2.7 -2,-0.3 2,-0.4 -0.961 20.4-144.9-171.0 157.4 35.2 84.8 15.4 47 46 A S E -CD 347 63B 2 16,-2.1 16,-3.1 -2,-0.3 2,-0.4 -0.990 11.5-160.9-132.6 145.5 38.3 82.9 16.4 48 47 A V E -CD 346 62B 0 298,-2.3 298,-2.9 -2,-0.4 2,-0.4 -0.994 9.6-145.9-129.3 125.6 38.6 79.2 17.1 49 48 A D E -CD 345 61B 19 12,-2.4 11,-2.9 -2,-0.4 12,-1.1 -0.780 23.0-170.4 -84.4 128.8 41.5 77.6 19.1 50 49 A L E - D 0 59B 0 294,-2.6 2,-0.4 -2,-0.4 355,-0.0 -0.825 15.0-150.8-114.9 159.1 42.4 74.1 17.9 51 50 A R E - D 0 58B 10 7,-2.1 7,-1.9 -2,-0.3 2,-0.7 -0.999 4.0-157.2-127.6 129.0 44.6 71.3 19.3 52 51 A N E + D 0 57B 0 -2,-0.4 282,-2.0 5,-0.2 283,-0.4 -0.923 18.6 168.6-103.1 107.8 46.4 68.8 17.0 53 52 A A - 0 0 0 3,-2.6 2,-1.0 -2,-0.7 4,-0.1 0.333 48.4-122.6 -96.8 -1.1 47.2 65.7 19.1 54 53 A G S S+ 0 0 0 2,-0.6 -39,-2.0 1,-0.1 -38,-0.3 -0.126 113.1 54.4 78.1 -42.7 48.2 63.6 16.0 55 54 A F S S+ 0 0 2 -2,-1.0 2,-0.3 -41,-0.2 -1,-0.1 0.414 122.2 18.8 -95.1 1.3 45.4 61.1 17.1 56 55 A K - 0 0 2 276,-0.1 -3,-2.6 177,-0.1 -2,-0.6 -0.968 55.8-157.7-165.8 148.3 42.8 63.9 17.1 57 56 A L E +D 52 0B 1 175,-2.9 -5,-0.2 -2,-0.3 -7,-0.0 -0.918 35.4 157.3-137.2 107.5 42.2 67.4 15.8 58 57 A A E -D 51 0B 0 -7,-1.9 -7,-2.1 -2,-0.4 2,-0.3 -0.954 43.0-114.3-139.3 145.5 39.6 69.3 17.8 59 58 A P E +D 50 0B 10 0, 0.0 -9,-0.3 0, 0.0 3,-0.1 -0.648 25.4 178.5 -77.2 140.5 38.4 72.8 18.7 60 59 A V E + 0 0 36 -11,-2.9 2,-0.3 1,-0.4 -10,-0.2 0.434 65.4 19.0-121.6 -7.3 38.9 73.8 22.3 61 60 A D E -D 49 0B 72 -12,-1.1 -12,-2.4 2,-0.0 2,-0.4 -0.901 53.9-162.2-162.2 139.6 37.5 77.4 22.4 62 61 A T E -D 48 0B 25 -2,-0.3 2,-0.5 -14,-0.2 -14,-0.2 -0.996 12.2-168.8-122.3 126.2 35.3 79.6 20.2 63 62 A N E -D 47 0B 44 -16,-3.1 -16,-2.1 -2,-0.4 -2,-0.0 -0.962 16.4-173.2-120.3 118.0 35.5 83.3 20.7 64 63 A L S S+ 0 0 17 -2,-0.5 -19,-0.2 1,-0.2 -20,-0.1 0.387 88.7 52.5 -87.5 6.5 32.9 85.6 19.1 65 64 A F S S- 0 0 15 -18,-0.1 -1,-0.2 112,-0.1 114,-0.1 -0.514 83.3-165.3-134.4 60.8 34.9 88.7 20.3 66 65 A P - 0 0 0 0, 0.0 3,-0.2 0, 0.0 -2,-0.0 -0.235 10.8-174.2 -61.8 139.9 38.4 88.0 19.0 67 66 A G + 0 0 31 1,-0.1 47,-0.2 2,-0.1 3,-0.1 0.071 63.4 76.1-122.7 21.7 41.2 90.1 20.5 68 67 A G > + 0 0 6 1,-0.1 3,-2.1 46,-0.1 4,-0.2 -0.084 44.6 129.5-126.1 34.7 44.3 89.2 18.6 69 68 A F G > S+ 0 0 6 1,-0.3 3,-1.1 -3,-0.2 -1,-0.1 0.763 70.6 64.6 -59.8 -25.5 43.9 91.1 15.2 70 69 A N G 3 S+ 0 0 48 1,-0.2 -1,-0.3 40,-0.2 -2,-0.1 0.595 94.2 61.7 -72.9 -10.9 47.3 92.6 15.6 71 70 A N G < S+ 0 0 27 -3,-2.1 -1,-0.2 2,-0.1 -2,-0.2 0.425 79.6 110.3 -93.4 -5.1 48.8 89.0 15.4 72 71 A L S < S- 0 0 23 -3,-1.1 309,-0.1 -4,-0.2 285,-0.1 -0.390 83.7 -96.9 -72.2 150.6 47.5 88.4 11.9 73 72 A N > - 0 0 20 283,-0.3 3,-2.3 1,-0.2 -1,-0.1 -0.521 27.3-144.5 -70.1 119.5 50.0 88.2 9.0 74 73 A P G > S+ 0 0 91 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 0.786 95.5 70.7 -62.9 -18.6 50.0 91.7 7.3 75 74 A D G 3 S+ 0 0 133 1,-0.3 4,-0.2 2,-0.1 -2,-0.1 0.729 97.7 53.0 -64.4 -20.1 50.4 90.1 3.9 76 75 A F G <> S+ 0 0 64 -3,-2.3 4,-2.0 1,-0.2 3,-0.4 0.280 72.4 109.5-100.6 13.8 46.8 88.9 4.3 77 76 A L H <> S+ 0 0 53 -3,-1.7 4,-3.0 1,-0.2 5,-0.2 0.916 76.3 55.0 -54.9 -44.6 45.3 92.3 5.0 78 77 A P H > S+ 0 0 92 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.898 107.3 50.4 -58.6 -35.8 43.5 92.5 1.6 79 78 A L H > S+ 0 0 64 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.914 112.3 47.4 -66.8 -41.7 41.9 89.1 2.3 80 79 A C H X S+ 0 0 4 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.904 110.9 51.1 -62.8 -44.2 40.7 90.4 5.7 81 80 A I H X S+ 0 0 27 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.924 110.6 48.4 -60.1 -45.7 39.4 93.6 4.3 82 81 A Q H X S+ 0 0 130 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.935 112.9 47.4 -63.2 -43.9 37.4 91.7 1.6 83 82 A A H X S+ 0 0 5 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.886 110.0 53.1 -65.0 -39.3 35.9 89.3 4.2 84 83 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.915 107.1 53.0 -63.1 -39.8 35.0 92.3 6.5 85 84 A X H X S+ 0 0 79 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.917 108.3 49.4 -60.4 -41.7 33.2 93.9 3.5 86 85 A V H X S+ 0 0 33 -4,-2.2 4,-1.7 2,-0.2 5,-0.2 0.937 110.6 50.9 -58.7 -48.2 31.2 90.7 3.0 87 86 A A H X>S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.5 0.932 110.0 49.6 -56.7 -48.5 30.4 90.7 6.7 88 87 A V H X5S+ 0 0 16 -4,-2.7 4,-2.0 1,-0.2 7,-0.2 0.920 110.1 51.0 -54.6 -47.5 29.2 94.3 6.5 89 88 A E H <5S+ 0 0 134 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.784 118.4 37.5 -63.4 -28.9 27.0 93.6 3.5 90 89 A K H <5S+ 0 0 107 -4,-1.7 -2,-0.2 -3,-0.3 -1,-0.2 0.831 128.7 28.8 -88.7 -37.2 25.3 90.6 5.3 91 90 A I H <5S+ 0 0 71 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.765 139.4 9.6-102.9 -34.5 25.0 91.9 8.8 92 91 A C S >< - 0 0 54 1,-0.2 4,-2.3 2,-0.1 5,-0.2 -0.768 56.1-164.1 -83.8 109.0 47.3 96.0 28.1 109 108 A T H > S+ 0 0 38 -2,-0.9 4,-2.2 1,-0.2 -1,-0.2 0.858 88.4 52.1 -61.4 -39.1 49.5 97.2 25.2 110 109 A F H > S+ 0 0 130 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.874 108.0 50.6 -66.1 -40.9 48.7 94.1 23.1 111 110 A Y H > S+ 0 0 20 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.916 110.4 50.2 -62.2 -43.1 45.0 94.5 23.6 112 111 A L H X S+ 0 0 6 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.890 108.4 52.8 -63.1 -38.0 45.3 98.2 22.5 113 112 A R H X S+ 0 0 67 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.888 106.8 53.0 -62.6 -38.3 47.3 97.0 19.4 114 113 A N H X S+ 0 0 0 -4,-2.0 4,-3.0 -47,-0.2 5,-0.3 0.923 107.4 51.6 -57.7 -47.8 44.4 94.7 18.6 115 114 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.931 110.7 47.4 -56.5 -46.3 42.0 97.6 18.8 116 115 A H H X S+ 0 0 66 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.917 113.8 47.2 -59.2 -46.8 44.1 99.6 16.4 117 116 A A H X S+ 0 0 20 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.900 114.3 47.0 -63.3 -44.5 44.5 96.6 13.9 118 117 A L H X S+ 0 0 0 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.926 111.5 50.4 -62.4 -45.3 40.7 95.9 14.1 119 118 A T H X S+ 0 0 4 -4,-2.6 4,-2.4 -5,-0.3 -2,-0.2 0.902 108.4 54.1 -59.8 -40.1 39.8 99.5 13.6 120 119 A H H X S+ 0 0 70 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.932 108.2 48.4 -62.7 -46.5 42.1 99.7 10.6 121 120 A I H X S+ 0 0 6 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.930 112.2 48.8 -57.5 -46.3 40.4 96.7 8.9 122 121 A L H <>S+ 0 0 0 -4,-2.3 5,-1.7 1,-0.2 -2,-0.2 0.868 111.6 48.8 -67.5 -36.5 37.0 98.1 9.5 123 122 A R H ><5S+ 0 0 126 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.882 109.0 52.8 -66.9 -43.9 38.0 101.5 8.0 124 123 A Q H 3<5S+ 0 0 100 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.794 101.3 62.1 -62.2 -25.3 39.6 99.9 5.0 125 124 A A T 3<5S- 0 0 11 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.494 128.3-101.4 -77.3 -2.0 36.2 98.1 4.6 126 125 A G T < 5S+ 0 0 61 -3,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.680 78.2 131.3 94.1 17.8 34.7 101.6 4.1 127 126 A L < - 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