==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-AUG-06 2I0F . COMPND 2 MOLECULE: 6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: BRUCELLA ABORTUS; . AUTHOR S.KLINKE,V.ZYLBERMAN,H.R.BONOMI,I.HAASE,B.G.GUIMARAES,B.C.BR . 733 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28426.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 612 83.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 112 15.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 79 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 322 43.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 3.4 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 0 0 0 5 0 0 0 2 3 0 0 0 8 5 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 5 2 4 4 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 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 5 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 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 11 A D 0 0 206 0, 0.0 3,-0.1 0, 0.0 32,-0.0 0.000 360.0 360.0 360.0 -29.6 12.4 -29.1 5.8 2 12 A A - 0 0 45 1,-0.1 31,-0.1 30,-0.1 32,-0.1 -0.372 360.0 -82.4 -70.8 153.6 11.8 -29.1 9.6 3 13 A P - 0 0 25 0, 0.0 31,-3.1 0, 0.0 2,-0.5 -0.272 40.4-156.6 -58.6 140.2 10.6 -25.8 11.1 4 14 A H E -a 34 0A 40 29,-0.2 61,-3.1 59,-0.1 62,-0.7 -0.965 17.5-174.4-121.2 112.0 13.5 -23.4 11.8 5 15 A L E -ab 35 66A 0 29,-3.1 31,-1.8 -2,-0.5 2,-0.5 -0.641 23.4-131.9-107.1 164.3 12.5 -20.9 14.5 6 16 A L E -ab 36 67A 0 60,-1.9 62,-2.5 29,-0.2 2,-0.6 -0.973 17.5-153.6-114.4 124.2 14.2 -17.8 16.0 7 17 A I E -ab 37 68A 0 29,-2.8 31,-2.4 -2,-0.5 2,-0.7 -0.886 7.6-165.5 -97.9 122.0 14.2 -17.7 19.8 8 18 A V E -ab 38 69A 0 60,-3.6 62,-2.8 -2,-0.6 2,-0.5 -0.941 9.9-170.0-112.3 110.0 14.4 -14.2 21.0 9 19 A E E -ab 39 70A 8 29,-2.4 31,-2.5 -2,-0.7 2,-0.7 -0.887 20.8-146.5-107.5 128.2 15.3 -14.2 24.7 10 20 A A E -a 40 0A 12 60,-3.4 2,-0.6 -2,-0.5 62,-0.2 -0.818 29.5-159.8 -85.5 117.6 15.2 -11.1 27.0 11 21 A R + 0 0 51 29,-2.7 3,-0.1 -2,-0.7 60,-0.0 -0.899 45.0 118.2-113.3 115.0 18.1 -11.9 29.3 12 22 A F S S+ 0 0 156 -2,-0.6 2,-1.1 1,-0.2 -1,-0.1 0.509 76.5 51.1-131.2 -52.6 18.5 -10.3 32.7 13 23 A Y S > S- 0 0 76 1,-0.2 4,-3.2 59,-0.2 5,-0.3 -0.783 74.6-163.4 -92.2 95.0 18.3 -13.2 35.2 14 24 A D H > S+ 0 0 95 -2,-1.1 4,-1.6 1,-0.2 -1,-0.2 0.844 83.7 45.7 -47.9 -47.3 20.9 -15.5 33.6 15 25 A D H > S+ 0 0 110 2,-0.2 4,-2.3 1,-0.2 3,-0.2 0.960 115.8 44.8 -65.8 -50.8 19.9 -18.7 35.5 16 26 A L H > S+ 0 0 6 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.936 113.0 52.2 -57.0 -47.0 16.2 -18.2 35.0 17 27 A A H X S+ 0 0 6 -4,-3.2 4,-2.9 1,-0.2 -1,-0.2 0.819 108.3 52.0 -58.8 -33.8 16.8 -17.3 31.3 18 28 A D H X S+ 0 0 80 -4,-1.6 4,-2.8 -5,-0.3 -1,-0.2 0.908 109.5 48.2 -70.5 -42.1 18.8 -20.5 30.9 19 29 A A H X S+ 0 0 14 -4,-2.3 4,-2.6 2,-0.2 103,-0.2 0.975 114.6 47.0 -60.5 -51.1 16.0 -22.6 32.4 20 30 A L H X S+ 0 0 1 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.920 114.6 45.1 -54.4 -51.1 13.6 -20.9 30.0 21 31 A L H X S+ 0 0 16 -4,-2.9 4,-3.1 1,-0.2 -1,-0.2 0.860 111.2 54.4 -62.9 -36.4 15.8 -21.3 27.0 22 32 A D H X S+ 0 0 79 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.899 108.7 49.6 -64.3 -39.9 16.5 -24.9 28.0 23 33 A G H X S+ 0 0 0 -4,-2.6 4,-2.2 97,-0.3 -2,-0.2 0.939 114.2 43.9 -63.5 -47.6 12.7 -25.5 28.1 24 34 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.953 113.6 49.3 -62.8 -52.8 12.2 -23.9 24.6 25 35 A K H X S+ 0 0 74 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.868 111.4 50.3 -56.4 -38.3 15.2 -25.6 23.0 26 36 A A H X S+ 0 0 20 -4,-2.1 4,-2.9 -5,-0.2 -1,-0.2 0.933 109.8 49.9 -67.2 -44.9 14.1 -29.0 24.3 27 37 A A H X S+ 0 0 3 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.900 114.0 46.0 -59.8 -40.2 10.5 -28.5 23.1 28 38 A L H <>S+ 0 0 0 -4,-2.6 5,-2.4 2,-0.2 -1,-0.2 0.858 112.3 50.8 -73.1 -31.7 11.9 -27.6 19.7 29 39 A D H ><5S+ 0 0 91 -4,-2.3 3,-2.3 -5,-0.2 -2,-0.2 0.960 107.1 52.9 -67.7 -49.2 14.4 -30.5 19.6 30 40 A E H 3<5S+ 0 0 150 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.728 110.4 48.1 -58.5 -26.5 11.7 -33.0 20.5 31 41 A A T 3<5S- 0 0 57 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.373 116.5-115.8 -95.3 3.3 9.6 -31.8 17.6 32 42 A G T < 5 + 0 0 44 -3,-2.3 -3,-0.2 1,-0.2 2,-0.2 0.638 68.6 139.4 73.9 12.9 12.5 -32.0 15.3 33 43 A A < - 0 0 3 -5,-2.4 -1,-0.2 -6,-0.2 -29,-0.2 -0.581 42.7-139.3 -88.7 153.4 12.6 -28.2 14.7 34 44 A T E -a 4 0A 71 -31,-3.1 -29,-3.1 -2,-0.2 2,-0.3 -0.642 21.0-172.8-106.8 168.6 15.8 -26.2 14.5 35 45 A Y E -a 5 0A 56 -31,-0.3 2,-0.3 -2,-0.2 -29,-0.2 -0.999 23.4-145.2-161.5 156.0 16.5 -22.7 15.9 36 46 A D E -a 6 0A 54 -31,-1.8 -29,-2.8 -2,-0.3 2,-0.4 -0.835 25.8-143.0-115.4 157.5 18.8 -19.8 16.2 37 47 A V E +a 7 0A 45 -2,-0.3 2,-0.3 -31,-0.2 -29,-0.2 -0.989 18.7 177.2-130.7 128.7 19.0 -17.8 19.4 38 48 A V E -a 8 0A 5 -31,-2.4 -29,-2.4 -2,-0.4 2,-0.4 -0.946 17.9-139.2-126.9 154.8 19.5 -14.1 19.9 39 49 A T E +a 9 0A 55 -2,-0.3 -29,-0.2 -31,-0.2 692,-0.1 -0.925 17.8 177.0-120.9 135.6 19.5 -12.1 23.1 40 50 A V E -a 10 0A 1 -31,-2.5 -29,-2.7 -2,-0.4 6,-0.1 -0.856 34.4-122.6-125.4 161.1 18.1 -8.7 23.9 41 51 A P S S+ 0 0 53 0, 0.0 2,-0.3 0, 0.0 -31,-0.1 0.791 86.7 22.3 -80.4 -23.9 18.1 -7.0 27.3 42 52 A G S > S- 0 0 18 1,-0.1 3,-1.4 682,-0.1 4,-0.3 -0.935 73.8-114.7-138.9 165.2 14.4 -6.5 27.9 43 53 A A G > S+ 0 0 5 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.815 113.3 65.6 -65.0 -30.7 11.1 -8.0 26.8 44 54 A L G 3 S+ 0 0 10 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.689 97.4 56.3 -66.3 -17.6 10.3 -4.7 25.2 45 55 A E G <> S+ 0 0 22 -3,-1.4 4,-1.7 1,-0.1 -1,-0.3 0.534 87.7 80.0 -90.6 -7.7 13.1 -5.4 22.8 46 56 A I H <> S+ 0 0 0 -3,-1.7 4,-2.5 -4,-0.3 5,-0.3 0.955 87.3 52.1 -66.6 -51.8 11.7 -8.7 21.6 47 57 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.931 112.2 46.4 -50.2 -50.6 9.1 -7.5 19.1 48 58 A A H > S+ 0 0 1 -4,-0.4 4,-2.7 2,-0.2 -2,-0.2 0.897 109.0 54.8 -61.2 -41.0 11.6 -5.3 17.3 49 59 A T H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.963 109.2 47.4 -56.2 -50.2 14.1 -8.1 17.2 50 60 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.909 109.3 56.4 -55.7 -40.8 11.5 -10.3 15.5 51 61 A S H X S+ 0 0 7 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.919 105.8 49.4 -58.0 -44.2 10.9 -7.3 13.3 52 62 A F H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 5,-0.2 0.947 107.7 53.8 -60.5 -48.7 14.6 -7.2 12.2 53 63 A A H X S+ 0 0 1 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.915 109.9 47.8 -51.5 -47.4 14.5 -10.9 11.5 54 64 A L H X S+ 0 0 27 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.891 112.2 48.7 -61.8 -42.4 11.5 -10.5 9.2 55 65 A D H X S+ 0 0 53 -4,-2.2 4,-0.9 1,-0.2 -2,-0.2 0.902 110.2 52.6 -64.7 -41.2 13.2 -7.5 7.4 56 66 A G H ><>S+ 0 0 0 -4,-3.1 5,-3.0 1,-0.2 3,-0.8 0.900 102.8 57.5 -61.5 -42.2 16.4 -9.5 7.0 57 67 A A H ><5S+ 0 0 16 -4,-2.2 3,-1.2 1,-0.3 -1,-0.2 0.907 105.1 50.8 -55.7 -43.6 14.5 -12.4 5.4 58 68 A D H 3<5S+ 0 0 142 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.755 106.2 59.0 -64.6 -23.6 13.2 -10.0 2.7 59 69 A N T <<5S- 0 0 108 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 -0.115 133.2 -89.2 -97.2 34.7 16.8 -8.9 2.3 60 70 A G T < 5S+ 0 0 76 -3,-1.2 -3,-0.2 1,-0.2 -2,-0.1 0.414 90.5 131.8 75.2 -2.4 18.0 -12.5 1.4 61 71 A G < - 0 0 31 -5,-3.0 -1,-0.2 -6,-0.2 2,-0.1 0.010 67.9 -48.8 -73.8-176.5 18.6 -13.2 5.0 62 72 A T - 0 0 73 -3,-0.1 2,-0.6 1,-0.1 -5,-0.2 -0.309 52.2-142.0 -58.8 125.5 17.5 -16.3 7.1 63 73 A E - 0 0 126 -3,-0.1 2,-0.3 -6,-0.1 -59,-0.1 -0.812 17.5-159.5 -91.7 116.7 13.9 -17.1 6.7 64 74 A Y - 0 0 17 -2,-0.6 -59,-0.2 1,-0.1 3,-0.1 -0.758 15.6-152.4 -99.1 146.6 12.4 -18.2 10.0 65 75 A D S S- 0 0 49 -61,-3.1 37,-0.4 -2,-0.3 2,-0.3 0.686 75.9 -15.7 -88.4 -19.1 9.2 -20.3 10.3 66 76 A G E -b 5 0A 0 -62,-0.7 -60,-1.9 35,-0.1 2,-0.4 -0.971 63.9-122.1-169.3 173.1 8.2 -19.0 13.7 67 77 A F E -bc 6 103A 3 35,-3.3 37,-3.8 -2,-0.3 2,-0.5 -0.977 5.8-154.8-134.3 146.5 9.5 -17.2 16.7 68 78 A V E -bc 7 104A 0 -62,-2.5 -60,-3.6 -2,-0.4 2,-0.6 -0.981 12.4-157.3-118.4 126.0 9.7 -17.9 20.4 69 79 A A E -bc 8 105A 0 35,-3.1 37,-2.5 -2,-0.5 2,-0.4 -0.916 12.7-174.5-106.8 117.8 9.8 -15.0 22.7 70 80 A L E +bc 9 106A 2 -62,-2.8 -60,-3.4 -2,-0.6 37,-0.3 -0.897 18.4 132.7-113.2 141.6 11.4 -15.7 26.1 71 81 A G E - c 0 107A 1 35,-1.7 37,-3.6 -2,-0.4 2,-0.4 -0.963 36.9-139.6-173.7 162.4 11.6 -13.3 29.0 72 82 A T E - c 0 108A 21 -2,-0.3 2,-0.5 -62,-0.2 37,-0.2 -0.923 13.9-178.3-141.2 113.7 11.0 -13.0 32.7 73 83 A V E - c 0 109A 12 35,-3.8 37,-2.9 -2,-0.4 2,-0.5 -0.948 6.2-170.5-111.6 124.6 9.4 -10.1 34.5 74 84 A I E - c 0 110A 17 -2,-0.5 2,-0.6 35,-0.2 37,-0.2 -0.967 30.2-120.3-115.5 118.2 9.2 -10.3 38.2 75 85 A R + 0 0 142 35,-2.1 4,-0.1 -2,-0.5 -2,-0.0 -0.422 57.8 146.1 -58.9 108.1 7.2 -7.5 39.9 76 86 A G - 0 0 49 -2,-0.6 -1,-0.1 2,-0.3 5,-0.1 0.447 62.5 -52.9-111.3-112.5 9.8 -6.0 42.2 77 87 A E S S+ 0 0 184 3,-0.0 4,-0.1 4,-0.0 -2,-0.1 0.797 105.9 77.0-104.5 -44.5 10.4 -2.5 43.3 78 88 A T S S- 0 0 42 1,-0.1 -2,-0.3 2,-0.1 3,-0.1 -0.270 74.8-134.1 -68.1 155.2 10.5 -0.4 40.1 79 89 A Y S >> S+ 0 0 104 620,-0.5 4,-0.8 1,-0.2 2,-0.6 0.356 89.1 94.9 -89.2 4.6 7.2 0.5 38.3 80 90 A H T 34 S+ 0 0 68 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 -0.250 71.5 67.1 -90.5 44.7 9.0 -0.6 35.1 81 91 A F T 3> S+ 0 0 44 -2,-0.6 4,-1.8 -3,-0.1 -1,-0.2 0.538 93.5 50.5-130.4 -34.4 7.5 -4.1 35.3 82 92 A D H <> S+ 0 0 66 -3,-0.6 4,-2.2 2,-0.2 5,-0.2 0.869 114.4 47.7 -73.8 -37.8 3.8 -3.6 34.8 83 93 A I H X S+ 0 0 14 -4,-0.8 4,-2.7 2,-0.2 5,-0.3 0.930 112.0 48.4 -66.9 -47.9 4.6 -1.6 31.7 84 94 A V H > S+ 0 0 13 2,-0.2 4,-1.7 1,-0.2 5,-0.3 0.894 112.3 50.7 -60.2 -42.1 7.0 -4.1 30.3 85 95 A S H X S+ 0 0 4 -4,-1.8 4,-1.9 2,-0.2 5,-0.2 0.985 117.6 35.3 -60.6 -60.9 4.5 -6.9 30.9 86 96 A N H X S+ 0 0 46 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.923 120.2 46.8 -60.7 -49.8 1.6 -5.3 29.2 87 97 A E H X S+ 0 0 23 -4,-2.7 4,-2.9 -5,-0.2 -1,-0.2 0.784 111.4 50.2 -67.2 -31.3 3.4 -3.6 26.4 88 98 A S H X S+ 0 0 0 -4,-1.7 4,-3.0 -5,-0.3 5,-0.3 0.924 114.5 45.0 -72.3 -44.2 5.6 -6.5 25.4 89 99 A C H X S+ 0 0 8 -4,-1.9 4,-2.7 -5,-0.3 5,-0.3 0.944 116.6 46.2 -62.0 -48.1 2.5 -8.7 25.3 90 100 A R H X S+ 0 0 7 -4,-2.9 4,-2.7 -5,-0.2 5,-0.2 0.945 114.0 48.0 -59.7 -49.2 0.6 -6.1 23.3 91 101 A A H X S+ 0 0 3 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.930 114.5 45.1 -60.0 -46.8 3.6 -5.5 21.0 92 102 A L H X S+ 0 0 3 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.928 114.5 47.0 -63.2 -47.6 4.1 -9.2 20.3 93 103 A T H X S+ 0 0 6 -4,-2.7 4,-1.9 -5,-0.3 5,-0.2 0.974 114.0 48.3 -58.1 -52.1 0.4 -10.0 19.7 94 104 A D H X S+ 0 0 40 -4,-2.7 4,-2.7 -5,-0.3 5,-0.2 0.897 112.1 50.4 -53.7 -43.5 0.1 -6.9 17.5 95 105 A L H X S+ 0 0 6 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.3 0.874 106.7 54.3 -63.8 -38.9 3.2 -8.0 15.6 96 106 A S H <>S+ 0 0 9 -4,-2.6 5,-1.7 -3,-0.2 4,-0.3 0.858 115.4 38.9 -65.4 -36.9 1.8 -11.6 15.2 97 107 A V H ><5S+ 0 0 18 -4,-1.9 3,-0.6 3,-0.2 -2,-0.2 0.954 115.9 50.5 -75.3 -54.1 -1.4 -10.3 13.6 98 108 A E H 3<5S+ 0 0 106 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.841 124.4 29.0 -53.3 -41.7 0.2 -7.5 11.6 99 109 A E T 3<5S- 0 0 91 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.438 103.0-128.7-101.5 -0.6 2.8 -9.7 10.0 100 110 A S T < 5 + 0 0 13 -3,-0.6 2,-0.3 -4,-0.3 -3,-0.2 0.963 56.0 150.9 52.0 58.7 0.8 -12.9 10.2 101 111 A I < - 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