==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SYNTHASE 06-SEP-04 1W7K . COMPND 2 MOLECULE: FOLC BIFUNCTIONAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.MATHIEU,G.DEBOUSKER,S.VINCENT,F.VIVIANI,N.BAMAS-JACQUES, . 411 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17720.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 288 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 4 1.0 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 . 27 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 32.8 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 1 0 0 0 2 2 3 1 0 1 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 4 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 PARALLEL BRIDGES PER LADDER . 1 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 1 0 1 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 T 0 0 133 0, 0.0 10,-0.1 0, 0.0 9,-0.0 0.000 360.0 360.0 360.0 121.7 -22.9 27.1 32.8 2 7 A P - 0 0 20 0, 0.0 2,-0.2 0, 0.0 9,-0.0 -0.159 360.0-149.3 -66.3 168.4 -20.7 27.8 35.8 3 8 A Q > - 0 0 124 4,-0.0 3,-1.2 102,-0.0 99,-0.1 -0.701 37.4 -84.0-129.9 179.6 -19.3 31.4 36.3 4 9 A A T 3 S+ 0 0 51 1,-0.3 94,-0.1 -2,-0.2 95,-0.1 0.705 128.5 50.9 -60.9 -23.0 -16.1 32.7 37.9 5 10 A A T 3 S+ 0 0 80 93,-0.1 -1,-0.3 94,-0.1 3,-0.1 0.534 86.0 107.2 -92.3 -11.6 -17.7 32.6 41.3 6 11 A S S < S- 0 0 26 -3,-1.2 2,-0.1 92,-0.1 92,-0.1 -0.291 82.8 -98.0 -64.4 152.8 -18.8 29.0 41.0 7 12 A P >> - 0 0 84 0, 0.0 3,-1.7 0, 0.0 4,-1.2 -0.462 31.1-114.0 -73.5 146.6 -16.9 26.4 43.1 8 13 A L H 3> S+ 0 0 24 1,-0.3 4,-2.4 2,-0.2 3,-0.4 0.826 115.2 62.3 -47.1 -40.2 -14.2 24.5 41.2 9 14 A A H 3> S+ 0 0 72 1,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.825 101.1 51.9 -59.6 -33.0 -16.1 21.3 41.6 10 15 A S H <> S+ 0 0 57 -3,-1.7 4,-1.6 2,-0.2 -1,-0.3 0.818 109.5 51.2 -73.9 -28.2 -19.0 22.7 39.6 11 16 A W H X S+ 0 0 0 -4,-1.2 4,-2.8 -3,-0.4 -2,-0.2 0.941 110.4 46.1 -71.4 -48.7 -16.4 23.6 36.8 12 17 A L H X S+ 0 0 27 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.834 112.8 50.8 -63.6 -35.8 -14.9 20.2 36.6 13 18 A S H X S+ 0 0 63 -4,-1.6 4,-1.1 -5,-0.2 -1,-0.2 0.894 111.8 47.8 -68.3 -40.6 -18.3 18.5 36.6 14 19 A Y H < S+ 0 0 55 -4,-1.6 3,-0.5 1,-0.2 -2,-0.2 0.928 113.0 48.9 -65.4 -43.8 -19.3 20.9 33.8 15 20 A L H >< S+ 0 0 2 -4,-2.8 3,-0.7 1,-0.2 -2,-0.2 0.789 109.0 53.6 -65.3 -32.4 -16.1 20.1 31.9 16 21 A E H 3< S+ 0 0 127 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.729 97.6 65.4 -76.8 -23.4 -16.5 16.3 32.3 17 22 A N T 3< 0 0 132 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.1 0.359 360.0 360.0 -85.3 8.4 -20.0 16.2 30.8 18 23 A L < 0 0 121 -3,-0.7 97,-0.2 -4,-0.1 -3,-0.0 -0.621 360.0 360.0 -78.6 360.0 -19.2 17.2 27.2 19 ! 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 20 28 A I 0 0 175 0, 0.0 94,-0.1 0, 0.0 92,-0.0 0.000 360.0 360.0 360.0-149.0 -15.5 17.5 16.9 21 29 A D - 0 0 129 4,-0.0 5,-0.3 5,-0.0 4,-0.1 0.960 360.0-133.8 49.3 91.1 -12.8 17.6 14.2 22 30 A L + 0 0 156 2,-0.1 3,-0.2 3,-0.1 2,-0.1 0.106 63.0 87.5 -57.8-179.7 -9.5 16.6 15.7 23 31 A G S S- 0 0 28 122,-0.2 3,-0.3 1,-0.1 4,-0.3 -0.154 90.3 -86.2 99.0 157.6 -6.4 18.6 14.9 24 32 A L S > S+ 0 0 31 1,-0.2 4,-2.5 2,-0.1 5,-0.2 0.307 94.1 104.2 -83.9 6.7 -5.3 21.7 16.9 25 33 A E H > S+ 0 0 143 -3,-0.2 4,-2.5 2,-0.2 5,-0.2 0.949 80.1 42.7 -57.2 -58.2 -7.3 24.3 15.1 26 34 A R H > S+ 0 0 44 -3,-0.3 4,-1.8 -5,-0.3 -1,-0.2 0.927 118.8 44.6 -56.2 -48.2 -10.1 25.0 17.5 27 35 A V H > S+ 0 0 0 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.862 113.4 52.2 -65.3 -32.4 -7.9 25.0 20.5 28 36 A S H X S+ 0 0 36 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.872 107.5 52.0 -69.3 -38.8 -5.3 27.2 18.6 29 37 A L H X S+ 0 0 81 -4,-2.5 4,-1.6 -5,-0.2 -2,-0.2 0.859 112.3 44.7 -67.0 -36.9 -8.0 29.7 17.6 30 38 A V H X S+ 0 0 0 -4,-1.8 4,-1.9 -5,-0.2 -2,-0.2 0.924 111.8 52.7 -74.6 -39.6 -9.2 30.1 21.2 31 39 A A H X>S+ 0 0 0 -4,-2.2 5,-1.7 1,-0.2 4,-0.8 0.804 107.5 53.3 -61.1 -33.3 -5.5 30.3 22.4 32 40 A A H ><5S+ 0 0 58 -4,-1.6 3,-0.6 2,-0.2 -1,-0.2 0.924 107.5 49.5 -70.1 -42.8 -4.9 33.1 19.9 33 41 A R H 3<5S+ 0 0 144 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.871 114.7 46.4 -60.3 -37.8 -7.9 35.2 21.2 34 42 A L H 3<5S- 0 0 31 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.586 103.8-132.8 -81.1 -13.8 -6.5 34.7 24.7 35 43 A G T <<5 + 0 0 42 -4,-0.8 3,-0.2 -3,-0.6 -3,-0.2 0.816 68.4 123.6 63.7 35.4 -2.9 35.6 23.8 36 44 A V < + 0 0 0 -5,-1.7 -4,-0.1 1,-0.1 -1,-0.1 0.158 27.2 110.5-110.2 16.3 -1.4 32.6 25.6 37 45 A L S S+ 0 0 67 -6,-0.4 115,-0.5 1,-0.3 -1,-0.1 0.691 86.9 37.7 -66.7 -17.9 0.5 30.9 22.7 38 46 A K S S- 0 0 120 -3,-0.2 -1,-0.3 113,-0.1 113,-0.0 -0.810 72.3-179.2-133.5 87.8 3.8 31.8 24.3 39 47 A P + 0 0 3 0, 0.0 93,-0.4 0, 0.0 92,-0.1 0.658 67.2 0.3 -65.6 -20.3 3.4 31.4 28.1 40 48 A A S S- 0 0 5 91,-0.1 93,-0.2 95,-0.1 94,-0.1 -0.965 78.0 -99.7-160.8 163.2 6.9 32.5 29.0 41 49 A P S S+ 0 0 91 0, 0.0 2,-0.4 0, 0.0 93,-0.1 0.728 112.7 35.5 -60.6 -25.8 10.1 33.7 27.3 42 50 A F E S-a 134 0A 36 91,-0.9 93,-2.2 90,-0.1 2,-0.4 -0.992 72.4-176.0-135.3 128.6 11.6 30.2 27.6 43 51 A V E -a 135 0A 2 -2,-0.4 111,-2.1 91,-0.2 112,-1.4 -0.981 12.8-166.1-127.1 135.5 9.6 26.9 27.3 44 52 A F E -ab 136 155A 0 91,-2.2 93,-2.9 -2,-0.4 2,-0.4 -0.952 12.0-163.8-111.9 135.6 10.6 23.3 27.7 45 53 A T E -ab 137 156A 2 110,-2.0 112,-2.2 -2,-0.4 2,-0.5 -0.989 6.6-158.5-122.2 128.4 8.1 20.8 26.3 46 54 A V E +ab 138 157A 0 91,-3.1 93,-2.5 -2,-0.4 2,-0.2 -0.939 16.3 167.1-120.2 119.9 8.4 17.2 27.5 47 55 A A E + b 0 158A 0 110,-3.6 112,-2.8 -2,-0.5 2,-0.2 -0.705 16.1 114.9-118.4 169.7 7.1 14.1 25.7 48 56 A G - 0 0 0 94,-0.4 94,-0.2 110,-0.3 113,-0.2 -0.756 66.4 -96.9 146.9 164.9 7.7 10.4 26.1 49 57 A T S S+ 0 0 4 111,-2.3 2,-0.3 1,-0.3 112,-0.1 0.939 104.6 6.0 -75.8 -47.4 6.0 7.2 27.1 50 58 A N S S+ 0 0 26 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.0 -0.965 114.8 38.7-136.3 152.6 7.2 7.2 30.7 51 59 A G > + 0 0 19 -2,-0.3 4,-1.5 -3,-0.1 5,-0.2 0.563 66.9 123.2 89.3 13.7 9.2 9.6 32.9 52 60 A K H > S+ 0 0 22 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.947 74.3 50.1 -69.7 -49.7 7.7 12.9 31.7 53 61 A G H > S+ 0 0 11 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.900 115.0 41.8 -54.8 -48.3 6.5 14.0 35.2 54 62 A T H > S+ 0 0 4 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.812 111.9 53.2 -73.7 -30.3 9.9 13.4 36.9 55 63 A T H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.917 112.4 47.3 -68.0 -41.2 12.0 14.9 34.1 56 64 A C H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.922 110.5 51.8 -63.9 -44.5 9.8 18.0 34.4 57 65 A R H X S+ 0 0 54 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.872 109.4 50.1 -62.0 -36.8 10.2 18.0 38.2 58 66 A T H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.913 110.2 49.1 -67.9 -44.4 14.0 17.8 37.9 59 67 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.949 112.4 48.9 -60.1 -45.6 14.0 20.7 35.5 60 68 A E H X S+ 0 0 2 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.901 110.6 50.8 -60.5 -42.1 11.8 22.7 37.9 61 69 A S H X S+ 0 0 18 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.924 113.0 44.8 -63.3 -47.1 14.0 21.9 40.9 62 70 A I H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.935 113.6 48.8 -63.8 -46.7 17.2 22.9 39.2 63 71 A L H <>S+ 0 0 0 -4,-2.5 5,-2.5 -5,-0.2 4,-0.2 0.831 109.8 52.4 -64.9 -30.7 15.8 26.1 37.7 64 72 A M H ><5S+ 0 0 63 -4,-1.9 3,-1.3 -5,-0.2 -1,-0.2 0.906 109.4 48.7 -71.4 -39.7 14.3 27.2 41.0 65 73 A A H 3<5S+ 0 0 51 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.843 108.1 56.9 -67.2 -30.3 17.6 26.7 42.8 66 74 A A T 3<5S- 0 0 32 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.524 122.9-106.7 -79.8 -3.0 19.1 28.8 39.9 67 75 A G T < 5S+ 0 0 63 -3,-1.3 -3,-0.2 1,-0.3 2,-0.1 0.482 70.9 138.5 95.9 4.3 16.7 31.7 40.7 68 76 A Y < - 0 0 43 -5,-2.5 2,-0.7 1,-0.1 -1,-0.3 -0.493 58.2-119.9 -81.9 154.2 14.3 31.5 37.8 69 77 A K - 0 0 95 -2,-0.1 65,-2.2 62,-0.1 64,-1.9 -0.859 44.3-166.9 -91.1 113.7 10.5 31.9 38.2 70 78 A V E -c 134 0A 0 -2,-0.7 18,-2.7 63,-0.2 2,-0.4 -0.843 21.4-169.3-113.9 144.0 9.1 28.6 37.0 71 79 A G E -cD 135 87A 0 63,-2.0 65,-2.6 -2,-0.3 2,-0.4 -0.983 10.2-162.2-127.2 137.5 5.7 27.2 36.1 72 80 A V E -cD 136 86A 0 14,-2.9 14,-2.7 -2,-0.4 2,-0.5 -0.984 8.0-159.5-126.9 131.5 5.0 23.6 35.5 73 81 A Y E +cD 137 85A 3 63,-2.7 65,-1.1 -2,-0.4 2,-0.3 -0.898 27.5 173.8-102.5 130.9 2.0 21.9 33.7 74 82 A S - 0 0 17 10,-2.6 66,-0.1 -2,-0.5 3,-0.0 -0.969 14.9-118.9-143.6 157.8 1.5 18.3 34.7 75 83 A S + 0 0 12 -2,-0.3 2,-0.2 64,-0.1 -22,-0.1 -0.977 65.6 9.4-163.3 151.3 -0.8 15.3 34.3 76 84 A P S S- 0 0 62 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.696 71.1-134.5 -87.1-166.2 -2.5 13.4 35.4 77 85 A H - 0 0 53 -2,-0.2 4,-0.1 1,-0.1 319,-0.0 -0.801 3.1-146.1-107.3 150.6 -3.1 14.3 39.1 78 86 A L S S- 0 0 19 -2,-0.3 -1,-0.1 2,-0.2 322,-0.1 0.970 84.9 -18.3 -75.9 -59.2 -3.0 12.0 42.2 79 87 A V S S+ 0 0 58 1,-0.3 2,-0.4 321,-0.0 -2,-0.1 0.790 124.0 37.8-115.2 -55.6 -5.7 13.5 44.4 80 88 A R > - 0 0 124 1,-0.1 3,-2.0 0, 0.0 -1,-0.3 -0.867 66.8-130.1-111.8 141.4 -6.7 17.0 43.6 81 89 A Y G > S+ 0 0 17 -2,-0.4 3,-1.9 1,-0.3 4,-0.1 0.832 102.5 69.7 -51.4 -38.0 -7.1 18.7 40.2 82 90 A T G > S+ 0 0 4 1,-0.3 3,-0.9 2,-0.2 10,-0.4 0.537 76.8 79.7 -62.5 -9.2 -4.9 21.7 41.4 83 91 A E G < S+ 0 0 33 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.708 79.6 75.0 -68.6 -21.3 -1.8 19.5 41.4 84 92 A R G < S+ 0 0 29 -3,-1.9 -10,-2.6 -4,-0.2 2,-0.5 0.702 93.1 49.0 -65.4 -25.5 -1.7 20.1 37.6 85 93 A V E < +D 73 0A 1 -3,-0.9 7,-0.6 -12,-0.2 2,-0.4 -0.936 66.8 178.0-124.3 112.0 -0.5 23.7 37.7 86 94 A R E -DE 72 91A 19 -14,-2.7 -14,-2.9 -2,-0.5 2,-0.4 -0.904 10.9-174.0-113.2 141.3 2.5 24.6 39.8 87 95 A V E > S-DE 71 90A 23 3,-2.5 3,-1.8 -2,-0.4 -16,-0.2 -0.996 83.9 -8.6-129.9 120.4 4.2 28.1 40.1 88 96 A Q T 3 S- 0 0 72 -18,-2.7 -17,-0.1 -2,-0.4 -1,-0.1 0.862 131.2 -57.5 58.4 38.4 7.4 28.2 42.2 89 97 A G T 3 S+ 0 0 22 -19,-0.3 2,-0.3 1,-0.2 -1,-0.3 0.463 118.4 106.0 74.7 2.2 6.7 24.6 43.2 90 98 A Q E < -E 87 0A 133 -3,-1.8 -3,-2.5 1,-0.0 -1,-0.2 -0.835 69.5-114.3-117.9 157.8 3.4 25.5 44.7 91 99 A E E -E 86 0A 66 -2,-0.3 -5,-0.1 -5,-0.2 -8,-0.1 -0.344 32.2-121.3 -79.9 159.6 -0.3 25.1 43.7 92 100 A L - 0 0 40 -7,-0.6 5,-0.1 -10,-0.4 -7,-0.1 -0.723 35.8 -83.7-102.8 155.7 -2.5 28.0 42.9 93 101 A P >> - 0 0 74 0, 0.0 4,-1.4 0, 0.0 3,-1.1 -0.171 33.6-123.7 -54.1 145.3 -5.8 29.1 44.6 94 102 A E H 3> S+ 0 0 110 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.783 113.3 58.6 -61.0 -30.9 -8.9 27.3 43.5 95 103 A S H 3> S+ 0 0 83 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.730 99.4 58.1 -72.7 -22.0 -10.4 30.7 42.6 96 104 A A H <> S+ 0 0 27 -3,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.933 107.7 46.9 -71.1 -44.9 -7.5 31.3 40.2 97 105 A H H X S+ 0 0 0 -4,-1.4 4,-1.7 1,-0.2 -2,-0.2 0.883 112.3 48.8 -64.0 -41.2 -8.5 28.2 38.4 98 106 A T H X S+ 0 0 7 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.875 109.9 52.2 -70.4 -33.5 -12.3 29.1 38.3 99 107 A A H X S+ 0 0 34 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.932 109.4 49.0 -66.0 -43.7 -11.5 32.6 37.0 100 108 A S H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.855 109.1 53.9 -63.6 -35.4 -9.3 31.2 34.2 101 109 A F H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.934 107.9 48.9 -65.1 -44.9 -12.2 28.9 33.3 102 110 A A H X S+ 0 0 23 -4,-2.1 4,-2.0 1,-0.2 5,-0.2 0.869 110.8 52.1 -61.8 -35.7 -14.6 31.8 33.0 103 111 A E H X S+ 0 0 91 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.905 112.1 44.4 -66.9 -42.7 -12.1 33.6 30.8 104 112 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.915 110.4 56.1 -68.5 -41.7 -11.8 30.6 28.5 105 113 A E H < S+ 0 0 32 -4,-2.8 4,-0.4 2,-0.2 -2,-0.2 0.891 113.5 39.3 -57.6 -42.7 -15.6 30.1 28.5 106 114 A S H >< S+ 0 0 87 -4,-2.0 3,-1.1 1,-0.2 -1,-0.2 0.944 115.2 52.7 -74.4 -43.1 -16.2 33.7 27.3 107 115 A A H 3< S+ 0 0 21 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.779 98.1 64.6 -61.7 -31.7 -13.3 33.7 24.9 108 116 A R T >< S- 0 0 36 -4,-2.2 3,-2.7 1,-0.2 -1,-0.2 0.748 77.2-177.5 -67.3 -20.0 -14.2 30.5 23.0 109 117 A G T < S- 0 0 46 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.1 -0.430 71.9 -19.4 60.0-122.5 -17.5 32.1 21.7 110 118 A D T 3 S+ 0 0 151 -2,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.205 110.3 115.0-101.2 15.3 -19.2 29.3 19.8 111 119 A I < - 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0 0 0 -31,-2.7 -6,-1.7 -2,-0.3 -31,-0.2 -0.451 22.1-117.2 -81.6 156.7 -10.8 -3.9 36.8 356 364 A T > - 0 0 44 -8,-0.2 4,-1.6 -2,-0.1 5,-0.2 -0.479 24.5-111.6 -88.7 162.3 -12.3 -6.1 39.5 357 365 A A H > S+ 0 0 2 1,-0.2 4,-2.1 13,-0.2 5,-0.1 0.911 119.9 54.5 -59.7 -40.5 -10.2 -7.9 42.1 358 366 A E H > S+ 0 0 120 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.872 103.3 54.4 -61.3 -39.7 -11.3 -11.1 40.4 359 367 A Q H > S+ 0 0 74 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.894 111.1 44.8 -61.9 -40.7 -10.1 -10.0 37.0 360 368 A L H X S+ 0 0 1 -4,-1.6 4,-1.5 1,-0.2 3,-0.5 0.888 110.5 56.2 -68.2 -41.3 -6.6 -9.2 38.3 361 369 A L H X S+ 0 0 40 -4,-2.1 4,-2.6 1,-0.2 5,-0.4 0.832 98.2 60.4 -60.4 -37.1 -6.5 -12.5 40.3 362 370 A E H < S+ 0 0 163 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.885 107.9 45.5 -59.8 -38.4 -7.2 -14.5 37.1 363 371 A H H < S+ 0 0 76 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.792 113.8 49.7 -73.3 -32.2 -3.9 -13.1 35.7 364 372 A L H < S- 0 0 6 -4,-1.5 -2,-0.2 2,-0.1 -3,-0.1 0.949 84.4-149.4 -76.5 -47.8 -2.0 -13.7 38.9 365 373 A G S < S+ 0 0 70 -4,-2.6 2,-0.3 1,-0.2 -3,-0.1 0.509 76.5 41.0 89.2 3.2 -2.9 -17.3 39.7 366 374 A N S S+ 0 0 85 -5,-0.4 -1,-0.2 2,-0.0 -2,-0.1 -0.956 73.3 77.7-166.2 170.4 -2.5 -16.6 43.4 367 375 A G - 0 0 34 -2,-0.3 2,-0.3 -3,-0.1 -22,-0.2 -0.348 66.2 -80.5 107.9 171.6 -3.3 -13.9 45.9 368 376 A K E -o 345 0D 72 -24,-2.2 -22,-3.5 -2,-0.1 2,-0.3 -0.852 31.8-137.9-116.3 148.8 -6.4 -12.6 47.9 369 377 A S E -o 346 0D 57 -2,-0.3 2,-0.3 -24,-0.2 -22,-0.2 -0.780 20.0-167.9-105.4 150.2 -9.1 -10.3 46.7 370 378 A F - 0 0 49 -24,-2.1 -13,-0.2 -2,-0.3 3,-0.1 -0.866 32.9-116.3-134.4 168.1 -10.6 -7.5 48.8 371 379 A D S S+ 0 0 135 -2,-0.3 2,-0.3 -24,-0.1 -24,-0.1 0.682 94.6 1.2 -77.7 -21.6 -13.6 -5.1 48.7 372 380 A S S > S- 0 0 38 -26,-0.1 4,-1.8 1,-0.1 5,-0.1 -0.964 74.7-102.5-158.0 168.7 -11.5 -2.0 48.3 373 381 A V H > S+ 0 0 3 -25,-0.3 4,-2.6 -2,-0.3 5,-0.2 0.889 119.7 56.4 -65.3 -38.3 -7.9 -0.8 48.0 374 382 A A H > S+ 0 0 29 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.917 106.8 46.7 -59.8 -46.7 -8.0 0.3 51.7 375 383 A Q H > S+ 0 0 87 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.901 112.7 50.7 -62.9 -40.6 -8.9 -3.2 52.9 376 384 A A H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.926 111.7 48.3 -61.8 -44.1 -6.2 -4.8 50.7 377 385 A W H X S+ 0 0 15 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.917 111.6 49.7 -62.6 -44.8 -3.7 -2.2 52.2 378 386 A D H X S+ 0 0 62 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.940 111.6 48.6 -60.9 -46.2 -4.8 -3.1 55.7 379 387 A A H X S+ 0 0 23 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.914 111.3 49.5 -60.8 -44.0 -4.5 -6.8 55.1 380 388 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.926 112.9 46.6 -61.6 -44.7 -1.0 -6.4 53.5 381 389 A M H < S+ 0 0 63 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.806 110.1 54.0 -68.2 -30.0 0.2 -4.3 56.5 382 390 A A H < S+ 0 0 82 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.932 115.9 39.0 -68.3 -44.4 -1.3 -6.7 59.0 383 391 A D H < S+ 0 0 82 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.754 94.1 105.0 -75.4 -31.2 0.6 -9.6 57.3 384 392 A A < - 0 0 16 -4,-2.2 2,-0.2 -5,-0.2 6,-0.0 -0.268 57.6-149.4 -59.7 139.0 3.9 -7.8 56.7 385 393 A K > - 0 0 122 -68,-0.1 3,-1.8 1,-0.1 -69,-0.1 -0.603 32.0-102.8 -99.9 165.0 6.9 -8.5 58.8 386 394 A A T 3 S+ 0 0 51 1,-0.3 -98,-0.4 -98,-0.2 -96,-0.3 0.763 121.7 52.4 -59.2 -27.9 9.6 -5.9 59.6 387 395 A E T 3 S+ 0 0 126 -99,-0.1 -71,-1.0 -98,-0.1 -1,-0.3 0.425 98.0 90.5 -89.7 1.5 12.0 -7.4 57.1 388 396 A D < - 0 0 9 -3,-1.8 -98,-1.8 -73,-0.2 2,-0.4 -0.220 67.8-132.9 -89.6 179.4 9.4 -7.4 54.3 389 397 A T E -lm 290 318D 0 -72,-2.3 -70,-2.8 -100,-0.2 2,-0.5 -1.000 10.2-157.8-136.2 131.0 8.5 -4.8 51.6 390 398 A V E -lm 291 319D 0 -100,-2.8 -98,-2.7 -2,-0.4 2,-0.5 -0.957 10.7-164.0-112.5 124.1 5.0 -3.7 50.8 391 399 A L E -lm 292 320D 0 -72,-3.0 -70,-3.1 -2,-0.5 2,-0.6 -0.934 8.3-161.4-112.8 124.1 4.4 -2.3 47.3 392 400 A V E +lm 293 321D 0 -100,-2.8 -98,-2.3 -2,-0.5 2,-0.3 -0.912 39.6 132.7-102.2 122.5 1.3 -0.3 46.3 393 401 A C E +lm 294 322D 0 -72,-2.5 -70,-1.3 -2,-0.6 -98,-0.2 -0.885 13.8 86.5-154.4-176.2 1.1 -0.2 42.5 394 402 A G S S+ 0 0 1 -98,-0.8 -69,-0.4 -100,-0.6 2,-0.3 -0.119 94.8 8.1 106.0 -33.4 -0.9 -0.6 39.3 395 403 A S S > S- 0 0 5 -101,-0.2 4,-1.6 -71,-0.1 5,-0.1 -0.986 70.1-105.8-168.2 166.2 -2.4 2.8 38.9 396 404 A F H > S+ 0 0 18 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.876 119.7 58.0 -67.0 -39.5 -2.5 6.4 40.1 397 405 A H H > S+ 0 0 85 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.863 104.9 49.1 -59.7 -39.9 -5.9 5.6 41.6 398 406 A T H > S+ 0 0 0 -75,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.936 112.9 45.2 -66.6 -49.3 -4.4 2.8 43.8 399 407 A V H X S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.899 113.6 52.0 -63.3 -38.8 -1.5 4.8 45.2 400 408 A A H X S+ 0 0 11 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.886 103.8 55.7 -64.4 -43.0 -3.9 7.7 45.8 401 409 A H H X S+ 0 0 66 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.931 112.3 44.1 -56.6 -45.2 -6.4 5.5 47.7 402 410 A V H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.890 111.0 51.6 -68.7 -40.0 -3.5 4.5 50.1 403 411 A M H X S+ 0 0 35 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.905 111.6 49.6 -62.7 -39.8 -2.0 8.0 50.6 404 412 A E H X S+ 0 0 95 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.841 110.2 48.7 -67.7 -37.3 -5.5 9.3 51.5 405 413 A V H X S+ 0 0 31 -4,-1.5 4,-1.9 -5,-0.2 -2,-0.2 0.917 111.4 50.0 -71.2 -39.4 -6.1 6.6 54.0 406 414 A I H X S+ 0 0 62 -4,-2.4 4,-0.6 1,-0.2 -2,-0.2 0.887 113.0 47.9 -64.2 -39.2 -2.7 7.2 55.7 407 415 A D H >X S+ 0 0 75 -4,-2.0 3,-1.4 -5,-0.2 4,-0.7 0.945 109.0 50.7 -66.8 -51.0 -3.4 10.9 55.8 408 416 A A H >< S+ 0 0 60 -4,-2.3 3,-1.0 1,-0.3 -1,-0.2 0.864 106.6 57.1 -55.8 -36.9 -6.9 10.6 57.3 409 417 A R H >< S+ 0 0 128 -4,-1.9 3,-1.0 1,-0.3 -1,-0.3 0.695 91.2 69.0 -68.3 -21.1 -5.6 8.2 60.0 410 418 A R H << S+ 0 0 205 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.834 100.8 51.4 -64.2 -30.7 -3.1 10.9 61.1 411 419 A S T << 0 0 108 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.476 360.0 360.0 -84.3 -7.1 -6.3 12.7 62.3 412 420 A G < 0 0 106 -3,-1.0 -1,-0.0 -4,-0.2 -3,-0.0 -0.705 360.0 360.0 -85.7 360.0 -7.7 9.8 64.3