==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 19-OCT-11 3U9I . COMPND 2 MOLECULE: MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME, C . SOURCE 2 ORGANISM_SCIENTIFIC: ROSEIFLEXUS SP. RS-1; . AUTHOR Z.ZHANG,S.CHAMALA,B.EVANS,R.FOTI,A.GIZZI,B.HILLERICH,A.KAR,J . 700 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25898.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 529 75.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 10.0 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 56 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 222 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.0 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 7 0 0 3 0 4 1 1 0 1 5 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 6 2 2 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 . 4 1 5 0 0 2 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 4 0 0 0 0 2 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 4 A T 0 0 150 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 110.9 -11.1 1.6 11.2 2 5 A A > - 0 0 43 1,-0.1 3,-2.3 2,-0.1 31,-0.3 -0.212 360.0-120.9 -54.6 143.2 -12.2 0.6 14.8 3 6 A P T 3 S+ 0 0 60 0, 0.0 31,-1.7 0, 0.0 33,-0.2 0.695 111.8 62.5 -58.9 -21.6 -12.9 -3.1 15.2 4 7 A T T 3 S+ 0 0 3 29,-0.1 68,-2.6 28,-0.1 69,-0.2 0.441 78.1 114.7 -87.7 -2.7 -16.4 -2.1 16.3 5 8 A T B < S-A 71 0A 21 -3,-2.3 28,-2.9 66,-0.2 2,-0.7 -0.453 73.1-117.3 -70.5 139.6 -17.2 -0.6 12.9 6 9 A I E -B 32 0B 2 64,-3.1 63,-2.4 61,-0.3 26,-0.3 -0.702 30.9-179.6 -80.2 115.6 -20.0 -2.2 10.9 7 10 A R E + 0 0 159 24,-2.8 2,-0.3 -2,-0.7 25,-0.2 0.877 65.3 12.2 -80.0 -40.8 -18.4 -3.5 7.6 8 11 A A E -B 31 0B 15 23,-1.6 23,-1.6 59,-0.1 2,-0.5 -0.962 51.6-155.5-151.5 124.9 -21.6 -5.0 6.1 9 12 A L E -B 30 0B 5 -2,-0.3 2,-0.3 21,-0.2 21,-0.2 -0.888 32.5-178.4 -96.5 127.5 -25.4 -5.0 6.6 10 13 A T E -B 29 0B 60 19,-2.7 19,-2.2 -2,-0.5 2,-0.3 -0.876 17.6-175.8-131.0 150.1 -26.8 -8.2 5.0 11 14 A V E +B 28 0B 19 -2,-0.3 17,-0.2 17,-0.2 15,-0.0 -0.989 5.1 174.8-148.8 144.5 -30.2 -9.9 4.5 12 15 A A E -B 27 0B 41 15,-1.3 15,-2.8 -2,-0.3 -2,-0.0 -0.967 42.5 -83.2-142.4 152.9 -31.3 -13.2 3.1 13 16 A P E -B 26 0B 88 0, 0.0 13,-0.3 0, 0.0 2,-0.2 -0.312 33.8-167.3 -56.6 142.7 -34.6 -15.0 2.7 14 17 A L E +B 25 0B 11 11,-3.4 11,-2.2 28,-0.1 2,-0.7 -0.675 14.7 172.8-131.2 75.5 -35.7 -16.9 5.8 15 18 A D E -B 24 0B 65 9,-0.2 9,-0.2 -2,-0.2 11,-0.0 -0.786 6.6-175.6 -94.0 113.8 -38.5 -19.2 4.6 16 19 A I E -B 23 0B 2 7,-2.1 7,-2.6 -2,-0.7 2,-0.2 -0.941 24.5-126.1-118.9 117.5 -39.6 -21.7 7.3 17 20 A P E -B 22 0B 47 0, 0.0 303,-2.4 0, 0.0 2,-0.7 -0.398 25.6-123.6 -62.0 119.0 -42.3 -24.3 6.5 18 21 A L B D 319 0C 48 3,-1.6 301,-0.2 -2,-0.2 300,-0.0 -0.539 360.0 360.0 -68.9 108.3 -45.2 -24.2 9.0 19 22 A H 0 0 162 -2,-0.7 -1,-0.1 299,-0.7 3,-0.1 -0.154 360.0 360.0 -39.8 360.0 -45.5 -27.7 10.6 20 ! 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 21 33 A E 0 0 194 0, 0.0 -3,-1.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-165.0 -48.5 -22.5 5.2 22 34 A V E -B 17 0B 57 -5,-0.2 2,-0.7 -3,-0.1 -7,-0.0 -0.995 360.0-129.1-146.3 141.9 -45.0 -20.9 5.2 23 35 A A E -B 16 0B 10 -7,-2.6 -7,-2.1 -2,-0.3 2,-1.4 -0.820 16.8-155.5 -91.6 114.5 -43.3 -18.1 7.2 24 36 A R E +B 15 0B 138 -2,-0.7 -9,-0.2 -9,-0.2 2,-0.1 -0.677 35.0 156.5 -90.9 85.5 -41.6 -15.7 4.8 25 37 A N E -B 14 0B 5 -11,-2.2 -11,-3.4 -2,-1.4 2,-0.4 -0.452 35.9-126.9-106.3 178.8 -39.0 -14.2 7.1 26 38 A L E -BC 13 42B 0 16,-2.1 16,-2.2 -13,-0.3 2,-0.8 -0.992 5.8-145.8-130.5 131.7 -35.6 -12.5 6.6 27 39 A L E -BC 12 41B 29 -15,-2.8 -15,-1.3 -2,-0.4 2,-0.2 -0.862 23.0-166.7 -96.0 106.7 -32.3 -13.3 8.2 28 40 A V E -BC 11 40B 0 12,-2.5 12,-2.1 -2,-0.8 2,-0.3 -0.623 6.4-175.8 -88.4 151.5 -30.4 -10.0 8.8 29 41 A A E -BC 10 39B 5 -19,-2.2 -19,-2.7 10,-0.2 2,-0.4 -0.968 14.9-160.9-151.5 131.5 -26.7 -10.0 9.6 30 42 A V E -BC 9 38B 0 8,-2.1 8,-2.4 -2,-0.3 2,-0.4 -0.891 9.8-160.1-106.8 144.5 -24.2 -7.3 10.5 31 43 A E E -BC 8 37B 35 -23,-1.6 -24,-2.8 -2,-0.4 -23,-1.6 -0.996 9.2-147.0-123.9 128.8 -20.5 -8.0 10.2 32 44 A L E > -B 6 0B 0 4,-3.1 3,-2.2 -2,-0.4 -26,-0.2 -0.557 27.8-109.4 -89.7 156.6 -18.0 -5.9 12.1 33 45 A T T 3 S+ 0 0 61 -28,-2.9 -29,-0.1 -31,-0.3 -1,-0.1 0.909 119.0 57.4 -44.3 -49.4 -14.5 -4.9 10.9 34 46 A D T 3 S- 0 0 65 -31,-1.7 -1,-0.3 -29,-0.2 -30,-0.1 0.498 125.7-100.1 -70.7 -0.6 -13.0 -7.2 13.5 35 47 A G S < S+ 0 0 41 -3,-2.2 -2,-0.1 1,-0.3 -1,-0.1 0.193 73.6 145.0 106.7 -15.8 -14.9 -10.2 12.1 36 48 A T - 0 0 27 -33,-0.2 -4,-3.1 -5,-0.1 2,-0.4 -0.320 31.9-158.4 -61.0 132.5 -17.7 -10.3 14.6 37 49 A R E -C 31 0B 93 -6,-0.2 2,-0.3 65,-0.1 -6,-0.2 -0.944 9.1-173.7-116.0 135.0 -21.1 -11.3 13.2 38 50 A G E -C 30 0B 0 -8,-2.4 -8,-2.1 -2,-0.4 2,-0.3 -0.933 10.7-147.3-122.6 151.3 -24.5 -10.6 14.7 39 51 A Y E +C 29 0B 28 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.890 15.5 175.3-124.1 150.2 -27.9 -11.8 13.6 40 52 A G E -C 28 0B 0 -12,-2.1 -12,-2.5 -2,-0.3 2,-0.4 -0.953 18.1-139.6-142.1 159.2 -31.5 -10.5 13.5 41 53 A E E -C 27 0B 1 -2,-0.3 2,-0.6 -14,-0.2 -14,-0.2 -0.987 3.3-159.4-128.9 130.0 -34.8 -11.7 12.2 42 54 A A E +C 26 0B 0 -16,-2.2 -16,-2.1 -2,-0.4 -28,-0.1 -0.933 11.7 177.5-103.6 119.2 -37.6 -9.8 10.4 43 55 A A - 0 0 2 -2,-0.6 246,-0.3 -18,-0.2 2,-0.1 -0.696 11.6-171.9-121.5 78.6 -40.9 -11.7 10.5 44 56 A P - 0 0 13 0, 0.0 -20,-0.2 0, 0.0 9,-0.2 -0.450 10.8-153.1 -75.4 143.2 -43.4 -9.4 8.8 45 57 A F >> - 0 0 81 1,-0.2 4,-1.8 -2,-0.1 3,-1.2 -0.925 10.7-174.1-121.9 103.2 -47.1 -10.3 9.0 46 58 A P H 3> S+ 0 0 70 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.882 85.2 61.6 -67.1 -38.3 -49.1 -9.0 6.1 47 59 A A H 34 S+ 0 0 89 1,-0.2 -2,-0.0 2,-0.2 0, 0.0 0.680 110.7 43.8 -59.3 -16.9 -52.4 -10.2 7.5 48 60 A F H <4 S- 0 0 63 -3,-1.2 -1,-0.2 3,-0.2 0, 0.0 0.918 139.2 -7.2 -95.0 -58.7 -51.7 -7.9 10.5 49 61 A N H < S- 0 0 91 -4,-1.8 -2,-0.2 2,-0.2 3,-0.1 0.202 93.6-105.1-127.8 13.3 -50.4 -4.5 9.2 50 62 A G S < S+ 0 0 44 -4,-2.0 2,-0.3 -5,-0.4 -3,-0.1 0.734 72.7 144.1 68.2 21.7 -50.0 -5.2 5.5 51 63 A E - 0 0 10 -6,-0.7 2,-0.3 4,-0.0 -1,-0.3 -0.724 33.0-156.0 -90.7 145.8 -46.2 -5.3 5.8 52 64 A T > - 0 0 52 -2,-0.3 4,-2.3 -7,-0.1 5,-0.3 -0.868 30.5-112.6-129.6 156.2 -44.5 -7.9 3.6 53 65 A Q H > S+ 0 0 52 -2,-0.3 4,-1.3 1,-0.2 -1,-0.1 0.890 121.0 42.1 -46.7 -46.1 -41.4 -10.0 3.3 54 66 A D H > S+ 0 0 123 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.862 108.8 57.4 -74.3 -38.6 -40.3 -7.9 0.3 55 67 A M H > S+ 0 0 99 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.881 112.8 41.9 -58.5 -39.4 -41.3 -4.6 1.7 56 68 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.738 106.5 62.0 -83.0 -25.6 -39.0 -5.2 4.7 57 69 A H H X S+ 0 0 50 -4,-1.3 4,-2.0 -5,-0.3 -2,-0.2 0.906 106.4 46.8 -63.8 -41.7 -36.2 -6.6 2.5 58 70 A A H X S+ 0 0 56 -4,-2.0 4,-3.2 1,-0.2 5,-0.2 0.907 108.0 56.4 -66.6 -42.5 -36.0 -3.2 0.8 59 71 A A H X S+ 0 0 3 -4,-1.3 4,-1.0 2,-0.2 -2,-0.2 0.906 108.3 47.4 -54.4 -46.6 -36.1 -1.4 4.1 60 72 A I H >< S+ 0 0 0 -4,-2.0 3,-0.5 2,-0.2 4,-0.3 0.943 114.7 44.1 -63.8 -50.2 -33.0 -3.3 5.4 61 73 A L H >< S+ 0 0 75 -4,-2.0 3,-1.8 1,-0.3 4,-0.3 0.906 111.3 54.6 -61.5 -42.8 -31.0 -2.8 2.2 62 74 A A H >< S+ 0 0 47 -4,-3.2 3,-0.7 1,-0.3 4,-0.3 0.764 101.9 60.9 -59.3 -25.2 -32.1 0.9 2.1 63 75 A A T XX S+ 0 0 0 -4,-1.0 4,-2.8 -3,-0.5 3,-0.7 0.551 77.1 90.1 -81.3 -8.2 -30.7 1.1 5.6 64 76 A R H <> S+ 0 0 111 -3,-1.8 4,-1.5 -4,-0.3 -1,-0.2 0.842 78.8 63.1 -55.6 -33.9 -27.2 0.1 4.5 65 77 A S H <4 S+ 0 0 101 -3,-0.7 -1,-0.2 -4,-0.3 -2,-0.1 0.909 115.4 28.7 -58.9 -44.1 -26.5 3.8 4.0 66 78 A L H <4 S+ 0 0 41 -3,-0.7 -2,-0.2 -4,-0.3 -1,-0.2 0.917 125.9 42.6 -82.8 -48.4 -26.9 4.5 7.7 67 79 A V H >< S+ 0 0 0 -4,-2.8 3,-2.0 2,-0.1 -61,-0.3 0.924 95.6 79.1 -71.6 -50.1 -25.9 1.2 9.3 68 80 A E T 3< S+ 0 0 53 -4,-1.5 -61,-0.2 -5,-0.3 3,-0.1 -0.456 104.2 20.6 -63.1 125.3 -22.8 0.3 7.2 69 81 A G T 3 S+ 0 0 61 -63,-2.4 -1,-0.3 1,-0.4 2,-0.2 0.352 99.7 114.6 95.7 -5.8 -19.9 2.4 8.5 70 82 A A S < S- 0 0 11 -3,-2.0 -64,-3.1 -64,-0.1 2,-0.4 -0.480 71.6-106.2 -89.0 167.3 -21.5 3.1 11.9 71 83 A D B > -A 5 0A 20 -66,-0.2 3,-2.0 -2,-0.2 -66,-0.2 -0.809 11.8-142.2 -98.2 134.0 -20.1 1.8 15.2 72 84 A V G > S+ 0 0 0 -68,-2.6 3,-1.0 -2,-0.4 32,-0.1 0.730 99.2 74.1 -67.0 -18.0 -22.0 -1.0 16.9 73 85 A R G 3 S+ 0 0 54 1,-0.3 -1,-0.3 -69,-0.2 3,-0.2 0.614 90.8 59.1 -66.4 -11.9 -21.1 0.8 20.2 74 86 A E G X> + 0 0 44 -3,-2.0 4,-2.1 1,-0.2 3,-0.5 -0.189 62.3 142.1-113.5 40.8 -23.8 3.3 19.2 75 87 A W H <> + 0 0 16 -3,-1.0 4,-2.4 1,-0.2 -1,-0.2 0.824 69.4 55.0 -49.0 -38.3 -26.7 0.9 19.0 76 88 A R H 3> S+ 0 0 12 391,-3.0 4,-2.1 -3,-0.2 -1,-0.2 0.893 108.3 43.7 -71.0 -40.6 -29.1 3.5 20.5 77 89 A R H <> S+ 0 0 83 390,-0.6 4,-0.8 -3,-0.5 -2,-0.2 0.920 115.2 49.0 -73.8 -41.6 -28.5 6.3 18.0 78 90 A I H >X S+ 0 0 0 -4,-2.1 3,-1.5 1,-0.2 4,-0.9 0.974 113.7 48.8 -49.8 -55.2 -28.6 4.0 15.0 79 91 A A H >< S+ 0 0 3 -4,-2.4 3,-0.5 1,-0.3 -2,-0.2 0.840 108.1 51.4 -59.2 -39.3 -31.8 2.6 16.4 80 92 A L H 3< S+ 0 0 95 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.655 110.7 53.6 -72.0 -12.0 -33.4 5.9 17.0 81 93 A A H XX S+ 0 0 34 -3,-1.5 3,-0.9 -4,-0.8 4,-0.9 0.616 85.9 77.2-101.0 -19.0 -32.6 6.9 13.5 82 94 A L G X< S+ 0 0 0 -4,-0.9 3,-1.3 -3,-0.5 6,-0.2 0.962 77.3 73.9 -60.3 -55.7 -34.1 4.0 11.5 83 95 A P G 34 S+ 0 0 62 0, 0.0 -1,-0.2 0, 0.0 5,-0.2 0.739 101.2 44.2 -26.6 -40.7 -37.6 5.2 11.7 84 96 A A G <4 S+ 0 0 84 -3,-0.9 3,-0.2 -4,-0.1 -2,-0.2 0.835 81.2 112.9 -86.7 -31.5 -36.9 7.9 9.2 85 97 A L S X< S- 0 0 28 -3,-1.3 3,-1.2 -4,-0.9 2,-0.6 -0.018 86.8 -89.4 -35.7 148.3 -35.0 6.0 6.7 86 98 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.566 108.1 8.0 -75.5 112.0 -37.0 5.9 3.6 87 99 A G T 3 S+ 0 0 56 -2,-0.6 -28,-0.2 1,-0.2 -2,-0.1 0.632 84.9 176.5 98.3 20.6 -39.3 2.8 3.4 88 100 A M < - 0 0 38 -3,-1.2 2,-0.4 -5,-0.2 -1,-0.2 -0.312 13.4-159.5 -66.3 137.2 -38.7 1.7 6.9 89 101 A T >> - 0 0 10 -33,-0.2 4,-1.3 1,-0.1 3,-1.1 -0.931 22.3-128.2-117.3 137.7 -40.7 -1.3 8.2 90 102 A G H >> S+ 0 0 18 -2,-0.4 4,-1.8 1,-0.3 3,-0.6 0.895 109.0 52.2 -49.0 -47.5 -41.2 -2.0 11.8 91 103 A S H 3> S+ 0 0 1 1,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.701 106.9 52.9 -70.0 -19.0 -40.0 -5.6 11.5 92 104 A A H <> S+ 0 0 0 -3,-1.1 4,-2.1 2,-0.2 -1,-0.3 0.713 104.4 56.2 -86.8 -22.0 -36.8 -4.5 9.9 93 105 A R H S+ 0 0 1 -4,-2.4 5,-2.5 2,-0.2 238,-1.4 0.554 112.2 57.3 -91.5 -10.8 -22.8 -8.4 23.1 106 118 A R H ><5S+ 0 0 93 -4,-0.7 3,-1.5 236,-0.3 -2,-0.2 0.891 108.4 48.2 -78.1 -43.8 -21.4 -11.4 21.2 107 119 A R H 3<5S+ 0 0 94 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.1 0.799 110.9 51.8 -63.7 -30.4 -18.1 -9.6 20.9 108 120 A A T 3<5S- 0 0 13 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.245 109.1-121.0 -93.3 13.4 -18.2 -8.8 24.7 109 121 A R T < 5 + 0 0 204 -3,-1.5 -3,-0.2 1,-0.2 233,-0.2 0.941 68.0 142.4 42.7 57.5 -18.9 -12.4 25.8 110 122 A L < - 0 0 5 -5,-2.5 233,-1.3 348,-0.1 -1,-0.2 -0.932 52.9-128.9-135.5 103.7 -22.0 -11.0 27.3 111 123 A P B > -e 343 0D 8 0, 0.0 4,-1.5 0, 0.0 233,-0.2 -0.164 20.7-127.0 -50.0 149.3 -25.3 -13.0 27.3 112 124 A L H > S+ 0 0 2 231,-1.4 4,-2.2 1,-0.2 5,-0.2 0.926 109.8 57.2 -70.0 -43.8 -28.2 -10.9 25.9 113 125 A W H 4>S+ 0 0 3 1,-0.3 5,-2.3 230,-0.2 6,-0.3 0.833 105.9 52.7 -55.7 -33.2 -30.3 -11.6 29.0 114 126 A A H >45S+ 0 0 0 3,-0.2 3,-1.3 2,-0.2 -1,-0.3 0.884 105.6 53.1 -66.0 -42.1 -27.5 -10.1 31.0 115 127 A F H 3<5S+ 0 0 11 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.872 107.6 52.2 -59.5 -36.4 -27.5 -7.0 28.8 116 128 A F T 3<5S- 0 0 3 -4,-2.2 -1,-0.2 184,-0.2 -2,-0.2 0.454 135.5 -84.2 -82.1 -0.6 -31.2 -6.6 29.5 117 129 A G T < 5 - 0 0 0 -3,-1.3 309,-2.8 -5,-0.2 310,-0.6 0.035 42.0-117.2 126.7 -28.9 -30.7 -6.8 33.3 118 130 A G < + 0 0 0 -5,-2.3 186,-0.2 182,-0.3 187,-0.1 0.797 56.2 153.9 66.2 30.2 -30.5 -10.5 34.1 119 131 A A S S- 0 0 23 185,-2.4 185,-0.2 -6,-0.3 2,-0.2 0.930 74.2 -7.9 -54.3 -48.6 -33.6 -10.3 36.4 120 132 A A - 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