==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 18-JAN-09 3FWK . COMPND 2 MOLECULE: FMN ADENYLYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CANDIDA GLABRATA; . AUTHOR C.HUERTA,D.BOREK,H.ZHANG . 291 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14701.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 61.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 2.7 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 . 17 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 30.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.4 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 1 0 0 1 0 0 2 0 1 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 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 0 0 PARALLEL BRIDGES PER LADDER . 2 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 -3 A G 0 0 127 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 98.3 71.4 34.8 -9.0 2 -2 A A - 0 0 59 2,-0.1 112,-0.0 112,-0.1 250,-0.0 0.323 360.0-126.3-102.5 1.6 69.4 31.5 -8.9 3 -1 A M + 0 0 36 1,-0.2 2,-0.3 113,-0.0 246,-0.0 0.825 43.6 179.9 56.0 41.9 70.5 30.0 -5.5 4 0 A V - 0 0 85 112,-0.1 2,-0.4 113,-0.0 111,-0.2 -0.576 12.6-175.9 -82.3 127.7 71.5 26.6 -7.1 5 1 A M - 0 0 2 110,-2.0 245,-0.0 109,-0.5 244,-0.0 -0.973 29.6-117.5-115.2 137.5 72.9 23.7 -5.1 6 2 A R > - 0 0 200 -2,-0.4 4,-2.7 1,-0.1 3,-0.3 -0.333 40.2-103.9 -60.9 154.1 74.0 20.4 -6.5 7 3 A L H > S+ 0 0 48 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.879 119.5 50.3 -58.2 -42.9 71.9 17.6 -5.1 8 4 A G H > S+ 0 0 39 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.898 111.7 48.0 -62.4 -41.5 74.5 16.4 -2.6 9 5 A D H > S+ 0 0 67 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.880 112.2 50.6 -64.7 -39.4 75.1 19.8 -1.2 10 6 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.927 111.4 47.4 -61.7 -45.4 71.3 20.3 -1.0 11 7 A A H X S+ 0 0 7 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.923 112.9 48.7 -64.0 -41.9 70.9 17.0 0.9 12 8 A E H X S+ 0 0 74 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.912 110.4 51.4 -64.7 -42.5 73.8 17.8 3.3 13 9 A L H X S+ 0 0 6 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.938 110.7 48.4 -56.0 -47.0 72.3 21.2 4.0 14 10 A C H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.899 110.8 50.7 -66.7 -38.4 69.0 19.6 4.8 15 11 A Y H X S+ 0 0 44 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.921 112.4 47.7 -59.0 -45.9 70.6 17.1 7.0 16 12 A N H X S+ 0 0 60 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.925 113.3 44.8 -66.6 -42.2 72.4 19.8 8.9 17 13 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.886 114.8 49.8 -71.1 -33.8 69.5 22.1 9.4 18 14 A T H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.3 -2,-0.2 0.939 112.3 47.3 -67.7 -45.0 67.3 19.1 10.4 19 15 A S H X S+ 0 0 21 -4,-2.6 4,-0.9 -5,-0.2 -2,-0.2 0.892 111.3 52.1 -60.1 -40.6 69.9 18.0 12.9 20 16 A S H >< S+ 0 0 33 -4,-2.3 3,-0.8 2,-0.2 4,-0.5 0.923 108.2 50.6 -63.8 -42.7 70.2 21.6 14.2 21 17 A Y H >< S+ 0 0 0 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.933 106.9 54.7 -61.0 -41.2 66.5 21.8 14.7 22 18 A L H 3< S+ 0 0 45 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.713 104.8 56.0 -65.4 -18.8 66.6 18.5 16.7 23 19 A Q T << S+ 0 0 155 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.493 80.5 123.4 -92.5 -2.2 69.2 20.0 18.9 24 20 A I < - 0 0 15 -3,-1.6 2,-0.5 -4,-0.5 12,-0.1 -0.341 66.9-116.8 -63.6 135.2 67.1 23.0 19.9 25 21 A A + 0 0 100 -2,-0.1 2,-0.3 7,-0.0 -1,-0.1 -0.530 54.9 142.3 -77.5 117.5 66.4 23.7 23.6 26 22 A A - 0 0 38 -2,-0.5 2,-0.2 6,-0.1 0, 0.0 -0.987 45.3-112.3-153.4 157.3 62.8 23.3 24.3 27 23 A E > - 0 0 148 -2,-0.3 3,-2.1 1,-0.1 6,-0.5 -0.486 36.1-102.5 -98.1 163.0 60.5 22.0 27.0 28 24 A S T 3 S+ 0 0 99 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.676 116.8 49.4 -67.2 -19.3 58.2 19.1 26.7 29 25 A D T 3 S+ 0 0 147 4,-0.1 -1,-0.3 5,-0.0 2,-0.2 0.219 91.4 110.1-102.3 19.4 55.0 21.0 26.2 30 26 A S S <> S- 0 0 32 -3,-2.1 4,-2.1 1,-0.1 5,-0.1 -0.494 75.4-125.1 -95.0 159.4 56.3 23.2 23.5 31 27 A I H > S+ 0 0 43 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.891 113.2 56.5 -62.2 -39.3 55.5 23.3 19.8 32 28 A I H > S+ 0 0 18 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.945 107.7 46.7 -61.0 -47.1 59.3 22.9 19.1 33 29 A A H > S+ 0 0 9 -6,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.922 111.8 51.0 -62.6 -39.7 59.4 19.7 21.1 34 30 A Q H X S+ 0 0 69 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.887 110.3 50.2 -61.6 -38.6 56.3 18.4 19.3 35 31 A T H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.891 107.2 54.0 -66.5 -41.6 58.0 19.2 16.0 36 32 A Q H X S+ 0 0 30 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.920 108.8 48.8 -56.1 -46.7 61.1 17.4 17.0 37 33 A R H X S+ 0 0 128 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.906 109.9 51.5 -59.1 -40.5 59.0 14.3 17.8 38 34 A A H X S+ 0 0 7 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.896 108.8 51.7 -66.1 -38.5 57.3 14.6 14.4 39 35 A I H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.926 107.9 51.7 -60.8 -45.8 60.7 14.8 12.7 40 36 A N H X S+ 0 0 83 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.908 110.0 48.6 -60.8 -40.1 61.8 11.7 14.4 41 37 A T H X S+ 0 0 68 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.938 112.3 48.6 -64.5 -44.3 58.7 9.8 13.3 42 38 A T H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.915 110.4 51.9 -59.8 -45.1 59.2 11.0 9.7 43 39 A K H X S+ 0 0 25 -4,-2.9 4,-3.1 1,-0.2 5,-0.5 0.911 109.3 49.8 -59.1 -42.0 62.9 10.0 9.7 44 40 A S H X>S+ 0 0 47 -4,-2.1 4,-2.0 -5,-0.2 5,-1.3 0.919 108.4 52.3 -65.3 -40.9 62.0 6.5 10.9 45 41 A I H X>S+ 0 0 6 -4,-2.3 5,-0.8 3,-0.2 4,-0.7 0.936 119.3 36.1 -58.3 -46.4 59.4 6.0 8.2 46 42 A L H X>S+ 0 0 0 -4,-2.3 5,-2.8 3,-0.2 4,-0.8 0.963 125.4 35.4 -73.5 -52.4 61.9 7.0 5.5 47 43 A I H <5S+ 0 0 30 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.893 131.8 27.1 -73.2 -39.4 65.1 5.5 6.9 48 44 A N H <5S+ 0 0 105 -4,-2.0 -3,-0.2 -5,-0.5 -1,-0.1 0.833 133.3 26.3 -92.3 -37.9 63.7 2.3 8.4 49 45 A E H <X S- 0 0 9 1,-0.1 4,-2.6 132,-0.1 -1,-0.2 -0.241 75.3 -99.1 -78.3 169.9 53.3 24.2 -0.9 69 65 A K H > S+ 0 0 7 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.812 120.5 51.4 -58.6 -36.6 54.5 24.3 2.7 70 66 A D H > S+ 0 0 19 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.955 112.7 44.1 -69.3 -48.2 53.7 20.7 3.4 71 67 A C H > S+ 0 0 5 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.863 113.4 53.1 -61.1 -37.1 55.6 19.4 0.3 72 68 A Q H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.939 109.2 46.8 -66.6 -46.8 58.4 21.7 1.0 73 69 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.943 114.7 48.6 -55.6 -48.1 58.9 20.5 4.6 74 70 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.901 108.7 52.5 -63.4 -37.6 58.7 16.9 3.4 75 71 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.919 109.2 49.8 -63.8 -43.6 61.2 17.6 0.6 76 72 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.929 114.7 44.7 -58.3 -44.6 63.7 19.1 3.2 77 73 A L H X S+ 0 0 2 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.868 112.0 51.9 -67.1 -37.0 63.2 16.0 5.4 78 74 A Y H X S+ 0 0 1 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.935 111.0 47.4 -64.5 -46.3 63.5 13.6 2.5 79 75 A L H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.919 110.9 52.2 -59.6 -42.6 66.8 15.2 1.4 80 76 A S H X S+ 0 0 1 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.923 110.1 49.1 -59.6 -42.9 68.0 15.1 5.0 81 77 A C H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.843 106.4 55.1 -69.3 -33.3 67.2 11.3 5.1 82 78 A L H X S+ 0 0 17 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.935 111.9 44.9 -60.9 -45.6 68.9 10.6 1.8 83 79 A W H X>S+ 0 0 48 -4,-2.2 4,-2.9 -72,-0.2 5,-1.5 0.951 115.4 46.8 -61.3 -48.8 72.1 12.2 3.2 84 80 A E H <5S+ 0 0 52 -4,-2.8 -2,-0.2 3,-0.2 -1,-0.2 0.934 114.9 46.5 -60.7 -42.2 71.7 10.3 6.5 85 81 A Y H <5S+ 0 0 90 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.921 123.9 30.4 -68.9 -44.6 71.0 7.0 4.8 86 82 A Y H <5S+ 0 0 94 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.772 135.6 19.0 -90.2 -28.1 73.8 7.1 2.3 87 83 A I T <5 0 0 107 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.1 0.801 360.0 360.0-107.9 -49.3 76.5 9.2 4.1 88 84 A V < 0 0 103 -5,-1.5 -3,-0.2 -4,-0.1 -4,-0.2 0.973 360.0 360.0 -80.0 360.0 75.9 9.2 7.8 89 ! 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 90 102 A K 0 0 162 0, 0.0 28,-0.3 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 149.5 68.9 15.5 -10.0 91 103 A L E - c 0 118A 8 26,-1.5 28,-2.8 25,-0.2 2,-0.2 -0.760 360.0-116.1 -89.4 122.1 66.0 14.1 -7.9 92 104 A P E + c 0 119A 38 0, 0.0 -29,-2.2 0, 0.0 2,-0.3 -0.366 47.4 172.9 -65.2 123.6 62.9 12.6 -9.8 93 105 A T E -bc 63 120A 3 26,-2.7 28,-2.0 -31,-0.2 2,-0.4 -0.944 21.1-158.7-132.1 143.4 60.0 14.9 -9.0 94 106 A V E -bc 64 121A 0 -31,-2.7 -29,-2.3 -2,-0.3 2,-0.5 -0.997 4.8-172.6-128.6 133.2 56.5 15.1 -10.3 95 107 A F E - c 0 122A 6 26,-2.6 28,-2.3 -2,-0.4 2,-0.9 -0.989 18.0-145.8-122.0 124.8 54.1 18.1 -10.2 96 108 A I - 0 0 11 -2,-0.5 2,-0.2 26,-0.2 26,-0.1 -0.779 29.2-157.8 -88.3 103.3 50.5 17.8 -11.2 97 109 A D - 0 0 15 -2,-0.9 2,-0.3 26,-0.1 -31,-0.0 -0.487 9.9-164.2 -85.8 155.4 49.9 21.2 -12.7 98 110 A H > - 0 0 86 -2,-0.2 3,-1.3 28,-0.1 27,-0.2 -0.977 30.6-121.4-139.4 156.3 46.5 22.9 -13.2 99 111 A D T 3 S+ 0 0 102 26,-0.5 27,-0.1 -2,-0.3 26,-0.0 0.624 110.9 52.7 -74.8 -8.9 45.3 25.8 -15.3 100 112 A D T 3 S+ 0 0 34 2,-0.1 114,-2.8 25,-0.0 -1,-0.3 0.015 77.8 129.9-116.9 25.8 44.2 27.7 -12.1 101 113 A T < - 0 0 27 -3,-1.3 112,-0.1 112,-0.2 2,-0.1 -0.537 68.3 -99.1 -76.5 143.7 47.4 27.6 -10.1 102 114 A F > - 0 0 5 110,-0.4 4,-2.2 -2,-0.2 3,-0.4 -0.389 24.4-132.7 -59.2 136.8 48.8 30.8 -8.6 103 115 A K H > S+ 0 0 95 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.887 107.5 56.5 -57.9 -40.5 51.6 32.3 -10.7 104 116 A T H > S+ 0 0 6 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.880 106.7 49.9 -63.1 -37.5 53.7 32.8 -7.6 105 117 A L H > S+ 0 0 13 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.922 109.6 50.0 -66.3 -44.3 53.4 29.1 -6.9 106 118 A E H X S+ 0 0 22 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.937 112.7 48.4 -54.1 -47.6 54.4 28.1 -10.5 107 119 A N H X S+ 0 0 38 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.919 111.0 50.4 -58.5 -44.3 57.4 30.5 -10.1 108 120 A F H X S+ 0 0 6 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.877 107.0 52.9 -67.0 -38.1 58.3 28.9 -6.7 109 121 A I H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.928 112.6 45.9 -62.0 -42.4 58.2 25.3 -8.1 110 122 A E H X S+ 0 0 94 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.936 113.1 49.6 -65.2 -43.4 60.6 26.3 -10.8 111 123 A E H X S+ 0 0 61 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.905 113.4 45.7 -64.2 -41.9 62.9 28.2 -8.4 112 124 A T H X S+ 0 0 3 -4,-2.7 4,-2.6 2,-0.2 6,-0.3 0.852 105.8 59.1 -74.3 -30.2 63.0 25.3 -6.0 113 125 A S H <>S+ 0 0 11 -4,-2.1 5,-2.0 -5,-0.2 4,-0.3 0.894 112.6 41.4 -60.2 -40.1 63.6 22.8 -8.8 114 126 A L H ><5S+ 0 0 93 -4,-1.8 3,-0.9 3,-0.2 -109,-0.5 0.919 113.9 52.7 -70.8 -42.0 66.7 24.7 -9.6 115 127 A R H 3<5S+ 0 0 5 -4,-2.6 -110,-2.0 1,-0.2 -2,-0.2 0.896 119.6 31.7 -61.2 -41.9 67.7 25.3 -6.0 116 128 A Y T 3<5S- 0 0 0 -4,-2.6 -1,-0.2 -112,-0.1 -25,-0.2 0.246 108.7-115.6-103.1 9.5 67.6 21.6 -4.9 117 129 A S T < 5 + 0 0 10 -3,-0.9 -26,-1.5 -4,-0.3 -3,-0.2 0.892 52.4 172.9 55.1 48.5 68.6 20.1 -8.3 118 130 A L E < -c 91 0A 9 -5,-2.0 2,-0.7 -6,-0.3 -1,-0.1 -0.459 36.5-133.5 -79.1 154.9 65.3 18.4 -8.9 119 131 A S E -c 92 0A 59 -28,-2.8 -26,-2.7 -2,-0.1 2,-0.4 -0.913 36.3-155.5-107.4 96.3 64.4 16.6 -12.1 120 132 A L E -c 93 0A 58 -2,-0.7 2,-0.4 -28,-0.2 -26,-0.2 -0.650 22.0-176.8 -88.5 128.2 61.0 18.0 -12.6 121 133 A Y E -c 94 0A 48 -28,-2.0 -26,-2.6 -2,-0.4 2,-0.4 -0.982 12.3-166.6-109.8 132.0 58.2 16.4 -14.6 122 134 A E E -c 95 0A 64 -2,-0.4 -26,-0.2 -28,-0.2 -28,-0.0 -0.970 17.8-128.4-118.4 134.6 55.0 18.5 -14.8 123 135 A S - 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