==== 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 SUGAR BINDING PROTEIN 18-MAY-07 2PZM . COMPND 2 MOLECULE: PUTATIVE NUCLEOTIDE SUGAR EPIMERASE/ DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BORDETELLA BRONCHISEPTICA; . AUTHOR N.J.HARMER,J.D.KING,C.M.PALMER,D.MASKELL,T.L.BLUNDELL . 629 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26000.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 403 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 93 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.0 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 . 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 . 41 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 182 28.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.2 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 2 2 0 4 4 3 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 2 4 7 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 2 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 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 -6 A L 0 0 164 0, 0.0 4,-0.3 0, 0.0 6,-0.2 0.000 360.0 360.0 360.0 135.7 -16.1 34.8 -0.5 2 -5 A V + 0 0 75 29,-0.5 6,-0.2 2,-0.1 2,-0.1 -0.923 360.0 52.3-135.7 154.0 -14.7 33.3 -3.6 3 -4 A P S >> S- 0 0 32 0, 0.0 3,-2.6 0, 0.0 4,-0.5 0.371 98.7-119.0 -56.5 123.8 -12.2 32.8 -5.4 4 -3 A R T 34 S- 0 0 230 1,-0.3 -2,-0.1 2,-0.2 0, 0.0 -0.172 89.9 -2.7 -45.2 121.2 -10.9 31.6 -2.0 5 -2 A G T 34 S+ 0 0 96 -4,-0.3 -1,-0.3 1,-0.1 -3,-0.1 0.347 133.5 62.3 75.3 -6.0 -7.9 33.7 -1.1 6 -1 A S T <4 + 0 0 72 -3,-2.6 2,-0.3 -5,-0.1 -2,-0.2 0.045 66.3 142.0-136.0 25.8 -8.1 35.7 -4.3 7 0 A H < - 0 0 34 -4,-0.5 2,-0.3 -6,-0.2 25,-0.1 -0.535 34.9-156.0 -69.8 129.7 -11.6 37.3 -4.1 8 1 A M - 0 0 23 -2,-0.3 25,-2.2 -6,-0.2 2,-0.6 -0.835 21.4-152.4-111.2 144.6 -11.6 40.8 -5.4 9 2 A R E -a 33 0A 84 -2,-0.3 69,-1.8 23,-0.2 68,-1.6 -0.969 32.4-166.1-103.6 106.6 -13.8 43.9 -4.8 10 3 A I E -ab 34 78A 0 23,-3.2 25,-2.6 -2,-0.6 2,-0.6 -0.858 18.1-161.7-107.6 120.5 -13.4 45.6 -8.1 11 4 A L E -ab 35 79A 0 67,-2.3 69,-2.7 -2,-0.6 2,-0.6 -0.898 14.7-170.6 -94.6 121.7 -14.5 49.2 -8.8 12 5 A I E > -ab 36 80A 0 23,-2.8 25,-1.8 -2,-0.6 3,-1.0 -0.933 9.5-158.6-119.3 106.3 -14.8 49.7 -12.5 13 6 A T E 3 S+ab 37 81A 0 67,-1.8 69,-1.6 -2,-0.6 25,-0.2 -0.581 88.2 20.9 -76.3 143.3 -15.3 53.2 -13.9 14 7 A G T > S+ 0 0 7 23,-2.5 3,-1.9 68,-0.2 6,-0.5 0.730 81.6 149.7 68.4 23.5 -16.9 53.1 -17.3 15 8 A G T < + 0 0 0 -3,-1.0 9,-0.2 22,-0.5 23,-0.1 0.593 61.8 62.4 -68.0 -14.4 -18.2 49.6 -16.5 16 9 A A T 3 S+ 0 0 3 21,-0.1 28,-1.8 4,-0.1 -1,-0.3 0.419 91.8 85.7 -88.8 0.1 -21.2 49.9 -18.7 17 10 A G S <> S- 0 0 22 -3,-1.9 4,-2.3 26,-0.2 5,-0.2 -0.093 98.8 -80.6 -89.5-165.0 -19.1 50.4 -21.9 18 11 A C H > S+ 0 0 45 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.977 126.3 30.5 -64.5 -60.5 -17.6 47.8 -24.2 19 12 A L H > S+ 0 0 29 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.910 120.4 55.0 -68.4 -40.3 -14.5 46.7 -22.3 20 13 A G H > S+ 0 0 0 -6,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.918 109.6 45.4 -58.1 -48.4 -16.1 47.3 -18.9 21 14 A S H X S+ 0 0 3 -4,-2.3 4,-2.1 -7,-0.2 -1,-0.2 0.842 111.7 51.8 -68.9 -36.5 -19.1 45.1 -19.7 22 15 A N H X S+ 0 0 8 -4,-1.8 4,-1.2 -5,-0.2 -1,-0.2 0.867 108.9 51.3 -63.7 -36.8 -16.9 42.3 -21.1 23 16 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.890 109.9 49.9 -67.1 -38.2 -14.8 42.4 -17.9 24 17 A I H X S+ 0 0 1 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.930 109.5 49.8 -63.8 -42.9 -17.9 42.1 -15.8 25 18 A E H < S+ 0 0 28 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.780 115.0 47.1 -69.2 -21.6 -19.2 39.1 -17.7 26 19 A H H < S+ 0 0 46 -4,-1.2 -2,-0.2 -5,-0.1 -1,-0.2 0.872 123.0 30.3 -81.2 -44.8 -15.7 37.7 -17.2 27 20 A W H ><>S+ 0 0 1 -4,-2.8 3,-1.5 2,-0.1 5,-1.2 0.859 105.5 65.8 -90.7 -40.9 -15.4 38.4 -13.5 28 21 A L G ><5S+ 0 0 20 -4,-2.6 3,-1.8 1,-0.3 -3,-0.1 0.876 98.0 56.3 -50.7 -46.3 -18.9 38.3 -12.0 29 22 A P G 3 5S+ 0 0 97 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.720 101.0 61.3 -62.2 -16.1 -19.4 34.5 -12.7 30 23 A Q G < 5S- 0 0 82 -3,-1.5 -2,-0.2 -4,-0.2 -3,-0.1 0.554 121.7-104.9 -83.4 -5.4 -16.2 33.9 -10.6 31 24 A G T < 5 + 0 0 30 -3,-1.8 -29,-0.5 -4,-0.4 -3,-0.2 0.491 69.6 146.3 94.8 6.2 -17.7 35.4 -7.5 32 25 A H < - 0 0 8 -5,-1.2 2,-0.5 -31,-0.1 -1,-0.3 -0.452 49.4-122.6 -70.7 148.8 -15.9 38.8 -7.5 33 26 A E E -a 9 0A 65 -25,-2.2 -23,-3.2 -2,-0.1 2,-0.4 -0.811 31.9-165.2 -93.2 131.6 -17.8 41.8 -6.1 34 27 A I E -ac 10 54A 0 19,-2.7 21,-2.1 -2,-0.5 2,-0.5 -0.965 17.0-170.1-125.5 132.2 -18.1 44.6 -8.6 35 28 A L E -ac 11 55A 11 -25,-2.6 -23,-2.8 -2,-0.4 2,-0.4 -0.987 14.6-158.7-114.2 123.1 -19.1 48.3 -8.3 36 29 A V E -ac 12 56A 0 19,-3.0 21,-2.9 -2,-0.5 2,-0.5 -0.786 8.2-169.1 -96.3 132.8 -19.7 50.2 -11.6 37 30 A I E +ac 13 57A 1 -25,-1.8 -23,-2.5 -2,-0.4 -22,-0.5 -0.988 27.1 149.4-115.0 121.1 -19.5 54.0 -11.8 38 31 A D E - c 0 58A 12 19,-1.9 21,-1.5 -2,-0.5 22,-0.1 -0.994 42.7-158.0-150.3 144.3 -20.8 55.2 -15.2 39 32 A N - 0 0 65 -2,-0.3 21,-0.1 19,-0.2 19,-0.1 0.328 43.8-125.7 -99.0 2.2 -22.6 58.3 -16.6 40 33 A F + 0 0 33 19,-0.1 5,-0.1 1,-0.1 -2,-0.0 0.789 61.0 144.5 54.5 37.0 -24.0 56.5 -19.6 41 34 A A S S- 0 0 37 1,-0.1 -1,-0.1 3,-0.1 44,-0.0 0.872 95.6 -14.3 -65.0 -36.7 -22.5 59.0 -22.1 42 35 A T S S+ 0 0 56 2,-0.0 -1,-0.1 43,-0.0 43,-0.0 0.430 121.3 94.8-138.3 -25.3 -21.9 56.1 -24.5 43 36 A G S S- 0 0 8 1,-0.1 2,-0.4 -26,-0.1 -26,-0.2 -0.277 70.4-122.2 -70.8 162.2 -22.3 53.0 -22.2 44 37 A K > - 0 0 84 -28,-1.8 3,-1.2 263,-0.2 4,-0.1 -0.887 5.2-145.6-117.3 136.3 -25.7 51.2 -21.9 45 38 A R G > S+ 0 0 134 -2,-0.4 3,-1.8 1,-0.2 -1,-0.1 0.836 96.5 67.3 -62.2 -34.2 -27.9 50.5 -18.8 46 39 A E G 3 S+ 0 0 96 1,-0.3 -1,-0.2 -30,-0.0 264,-0.1 0.624 87.8 63.8 -70.5 -10.9 -29.0 47.1 -20.2 47 40 A V G < S+ 0 0 4 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.483 97.9 62.2 -86.0 -0.4 -25.5 45.6 -19.9 48 41 A L S < S- 0 0 18 -3,-1.8 -1,-0.2 -4,-0.1 -32,-0.0 -0.565 74.2-179.4-120.8 66.9 -25.8 46.0 -16.1 49 42 A P - 0 0 19 0, 0.0 2,-1.8 0, 0.0 5,-0.1 -0.257 46.1 -94.0 -66.7 158.5 -28.8 43.9 -15.1 50 43 A P S S+ 0 0 91 0, 0.0 2,-0.2 0, 0.0 5,-0.1 -0.516 75.0 149.3 -74.3 81.3 -29.8 43.8 -11.4 51 44 A V > - 0 0 12 -2,-1.8 3,-1.7 3,-0.1 2,-0.1 -0.704 52.0 -77.3-126.9 158.1 -27.8 40.7 -10.7 52 45 A A T 3 S+ 0 0 62 264,-1.6 3,-0.1 1,-0.3 -1,-0.1 -0.338 111.5 13.1 -71.9 134.2 -25.9 39.4 -7.7 53 46 A G T 3 S+ 0 0 22 1,-0.2 -19,-2.7 -2,-0.1 2,-0.5 0.414 102.8 107.4 87.1 -1.0 -22.6 40.8 -6.8 54 47 A L E < +c 34 0A 13 -3,-1.7 2,-0.3 -21,-0.2 -1,-0.2 -0.957 41.3 175.7-120.4 125.5 -23.1 43.7 -9.2 55 48 A S E -c 35 0A 54 -21,-2.1 -19,-3.0 -2,-0.5 2,-0.4 -0.931 10.4-158.8-125.9 147.3 -23.8 47.3 -7.9 56 49 A V E -c 36 0A 63 -2,-0.3 2,-0.5 -21,-0.2 -19,-0.2 -0.994 11.4-168.8-137.1 130.8 -24.0 50.5 -10.0 57 50 A I E -c 37 0A 53 -21,-2.9 -19,-1.9 -2,-0.4 2,-0.8 -0.991 19.1-144.5-112.9 121.3 -23.7 54.1 -9.2 58 51 A E E +c 38 0A 106 -2,-0.5 2,-0.3 -21,-0.2 -19,-0.2 -0.800 58.3 91.7 -83.6 115.8 -24.9 56.5 -12.0 59 52 A G - 0 0 16 -21,-1.5 2,-0.3 -2,-0.8 -19,-0.1 -0.977 69.1 -78.4 175.4-176.2 -22.5 59.4 -11.8 60 53 A S > - 0 0 24 -2,-0.3 3,-1.5 1,-0.1 7,-0.2 -0.830 15.3-138.4-116.9 145.5 -19.2 60.9 -13.1 61 54 A V T 3 S+ 0 0 6 -2,-0.3 44,-0.2 1,-0.3 45,-0.1 0.607 105.6 70.4 -69.0 -15.4 -15.5 60.3 -12.4 62 55 A T T 3 S+ 0 0 54 1,-0.1 2,-1.1 43,-0.1 -1,-0.3 0.645 80.4 84.8 -69.2 -17.5 -15.3 64.1 -12.6 63 56 A D <> - 0 0 74 -3,-1.5 4,-2.0 1,-0.2 5,-0.2 -0.733 59.7-175.7 -94.7 93.4 -17.2 64.2 -9.3 64 57 A A H > S+ 0 0 51 -2,-1.1 4,-2.5 1,-0.2 -1,-0.2 0.804 80.8 52.8 -60.9 -33.6 -14.5 63.8 -6.6 65 58 A G H > S+ 0 0 30 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.912 107.8 51.2 -69.0 -44.3 -17.0 63.7 -3.7 66 59 A L H > S+ 0 0 23 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.912 112.3 47.2 -54.3 -50.2 -19.0 60.9 -5.3 67 60 A L H X S+ 0 0 1 -4,-2.0 4,-3.3 2,-0.2 5,-0.4 0.933 109.2 53.8 -59.5 -47.5 -15.8 58.9 -5.8 68 61 A E H X S+ 0 0 54 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.944 112.6 43.7 -51.0 -52.4 -14.7 59.5 -2.2 69 62 A R H X S+ 0 0 153 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.866 113.6 51.1 -61.0 -40.5 -17.9 58.1 -0.9 70 63 A A H X S+ 0 0 5 -4,-2.2 4,-3.1 2,-0.2 5,-0.4 0.968 115.8 41.0 -61.7 -55.3 -17.9 55.2 -3.4 71 64 A F H X S+ 0 0 3 -4,-3.3 4,-2.2 1,-0.2 -2,-0.2 0.906 114.0 54.7 -57.7 -41.6 -14.4 54.2 -2.4 72 65 A D H < S+ 0 0 107 -4,-3.0 -1,-0.2 -5,-0.4 -2,-0.2 0.912 118.5 32.8 -59.9 -45.3 -15.1 54.9 1.2 73 66 A S H < S+ 0 0 106 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.909 124.5 40.0 -79.7 -46.9 -18.1 52.6 1.2 74 67 A F H < S- 0 0 30 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.793 82.9-156.1 -79.5 -30.3 -17.1 49.8 -1.3 75 68 A K < - 0 0 86 -4,-2.2 -3,-0.1 -5,-0.4 -4,-0.1 0.967 17.7-150.9 52.2 61.1 -13.5 49.6 -0.2 76 69 A P - 0 0 4 0, 0.0 -66,-0.2 0, 0.0 -1,-0.1 -0.335 21.4-161.0 -64.8 142.4 -12.2 48.2 -3.5 77 70 A T S S+ 0 0 27 -68,-1.6 39,-2.5 1,-0.2 40,-0.9 0.708 83.2 24.3 -82.5 -26.7 -9.2 45.9 -3.5 78 71 A H E -bd 10 117A 15 -69,-1.8 -67,-2.3 38,-0.2 2,-0.4 -0.984 68.1-154.9-142.1 144.9 -8.7 46.6 -7.3 79 72 A V E -bd 11 118A 0 38,-2.1 40,-2.7 -2,-0.3 2,-0.5 -0.972 3.7-167.5-123.5 135.4 -9.7 49.4 -9.6 80 73 A V E -bd 12 119A 0 -69,-2.7 -67,-1.8 -2,-0.4 2,-1.0 -0.983 13.2-155.8-119.5 115.4 -10.2 49.2 -13.4 81 74 A H E +bd 13 120A 2 38,-3.8 40,-1.2 -2,-0.5 -67,-0.1 -0.788 35.4 146.0 -96.8 97.5 -10.4 52.7 -14.8 82 75 A S + 0 0 26 -69,-1.6 2,-0.2 -2,-1.0 -68,-0.2 0.427 29.3 117.1-112.6 -1.7 -12.4 52.3 -18.1 83 76 A A + 0 0 15 15,-0.1 2,-0.3 -46,-0.1 38,-0.1 -0.511 34.2 156.1 -73.2 132.1 -14.3 55.6 -18.2 84 77 A A - 0 0 26 -2,-0.2 2,-0.4 -70,-0.0 11,-0.1 -0.963 32.2-144.8-154.5 141.4 -13.4 57.9 -21.1 85 78 A A + 0 0 13 -2,-0.3 14,-0.1 10,-0.2 -2,-0.0 -0.884 43.8 127.2-100.2 141.0 -15.1 60.8 -23.1 86 79 A Y + 0 0 90 -2,-0.4 61,-0.2 13,-0.0 -1,-0.1 0.376 33.3 107.0-163.3 -14.8 -14.5 61.1 -26.8 87 80 A K S S+ 0 0 150 1,-0.2 -2,-0.0 2,-0.1 -45,-0.0 0.695 83.4 45.8 -66.1 -23.0 -17.8 61.2 -28.7 88 81 A D > - 0 0 75 3,-0.2 3,-1.6 1,-0.1 7,-0.2 -0.928 67.2-165.2-121.0 102.0 -17.6 65.0 -29.6 89 82 A P T 3 S+ 0 0 87 0, 0.0 57,-0.4 0, 0.0 -1,-0.1 0.618 90.1 53.0 -62.7 -15.5 -14.2 65.9 -30.9 90 83 A D T 3 S+ 0 0 110 1,-0.1 2,-1.8 56,-0.1 3,-0.3 0.575 84.7 88.0 -96.3 -12.9 -14.9 69.6 -30.4 91 84 A D <> + 0 0 68 -3,-1.6 4,-2.1 1,-0.2 3,-0.2 -0.521 47.3 159.3 -86.3 67.7 -16.0 69.3 -26.7 92 85 A W H > + 0 0 18 -2,-1.8 4,-2.9 1,-0.2 5,-0.2 0.859 68.6 59.6 -61.3 -37.4 -12.5 69.7 -25.4 93 86 A A H > S+ 0 0 34 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.916 106.9 45.5 -56.7 -46.4 -13.8 70.7 -21.9 94 87 A E H > S+ 0 0 72 2,-0.2 4,-2.8 1,-0.2 5,-0.4 0.923 113.1 50.0 -62.6 -45.2 -15.7 67.4 -21.5 95 88 A D H X>S+ 0 0 2 -4,-2.1 4,-2.5 1,-0.2 5,-0.5 0.929 114.2 44.9 -60.5 -45.5 -12.7 65.4 -22.7 96 89 A A H X>S+ 0 0 0 -4,-2.9 5,-2.0 3,-0.2 4,-1.5 0.894 114.4 49.2 -66.8 -40.2 -10.4 67.2 -20.3 97 90 A A H <>S+ 0 0 19 -4,-2.6 5,-1.7 -5,-0.2 -2,-0.2 0.976 121.1 33.1 -62.4 -55.4 -12.9 66.9 -17.4 98 91 A T H <5S+ 0 0 6 -4,-2.8 5,-0.4 3,-0.2 -2,-0.2 0.948 128.2 35.7 -66.5 -48.3 -13.5 63.1 -17.9 99 92 A N H <5S+ 0 0 2 -4,-2.5 -3,-0.2 -5,-0.4 -2,-0.2 0.822 130.8 25.3 -87.3 -31.6 -10.0 62.0 -19.1 100 93 A V T X S+ 0 0 4 -5,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.941 112.2 48.7 -64.0 -47.2 -8.1 60.1 -13.9 104 97 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.900 111.0 48.9 -53.2 -48.1 -6.8 62.3 -11.1 105 98 A N H X S+ 0 0 20 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.897 112.3 48.8 -62.4 -38.9 -9.9 61.8 -8.9 106 99 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.938 112.4 48.1 -68.4 -41.1 -9.7 58.0 -9.4 107 100 A A H X S+ 0 0 1 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.919 114.2 46.0 -64.6 -45.7 -5.9 58.0 -8.6 108 101 A K H X S+ 0 0 79 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.896 115.7 46.0 -62.0 -46.5 -6.4 60.1 -5.4 109 102 A A H X S+ 0 0 14 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.883 111.5 51.4 -65.2 -40.4 -9.4 58.1 -4.2 110 103 A A H X>S+ 0 0 0 -4,-2.5 5,-2.4 -5,-0.2 4,-0.6 0.878 108.1 52.7 -68.8 -35.3 -7.6 54.7 -4.9 111 104 A S H ><5S+ 0 0 42 -4,-1.9 3,-0.8 1,-0.2 -1,-0.2 0.915 109.8 47.5 -62.1 -46.1 -4.5 55.8 -2.9 112 105 A K H 3<5S+ 0 0 112 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.848 112.0 51.4 -62.4 -35.7 -6.6 56.8 0.2 113 106 A A H 3<5S- 0 0 40 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.531 110.9-120.5 -85.4 -7.0 -8.5 53.5 0.0 114 107 A G T <<5 - 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