==== 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 11-MAY-09 3HFJ . COMPND 2 MOLECULE: NICOTINATE (NICOTINAMIDE) NUCLEOTIDE . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR H.ZHANG,N.HUANG,Y.EYOBO . 378 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17890.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 249 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 15.9 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 . 2 0.5 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 . 26 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 27.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.6 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 2 0 0 0 3 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 0 6 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 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 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 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 1 A M 0 0 141 0, 0.0 98,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 136.2 7.2 -30.9 -28.9 2 2 A R E -a 99 0A 87 96,-2.3 98,-3.3 1,-0.1 2,-0.7 -0.429 360.0-131.0 -62.7 130.7 4.4 -30.3 -26.4 3 3 A K E +a 100 0A 78 96,-0.2 29,-2.8 27,-0.2 30,-0.9 -0.807 33.6 175.2 -92.0 114.3 4.4 -26.7 -25.1 4 4 A I E -ab 101 33A 0 96,-2.2 98,-2.9 -2,-0.7 2,-0.2 -0.977 20.6-142.3-124.1 127.3 4.2 -26.7 -21.3 5 5 A G E -ab 102 34A 0 28,-2.7 30,-3.1 -2,-0.4 2,-0.4 -0.621 9.0-154.4 -84.1 149.9 4.4 -23.7 -19.0 6 6 A I E -ab 103 35A 0 96,-2.8 98,-2.9 -2,-0.2 2,-0.5 -0.997 11.1-178.2-124.3 121.7 6.1 -23.8 -15.6 7 7 A I E -ab 104 36A 11 28,-2.4 30,-3.2 -2,-0.4 2,-0.2 -0.968 14.9-175.7-118.8 111.6 5.1 -21.4 -12.9 8 8 A G E + b 0 37A 11 96,-0.5 2,-0.3 -2,-0.5 3,-0.1 -0.639 22.4 106.4-106.1 166.5 7.2 -21.9 -9.7 9 9 A G E S- b 0 38A 2 28,-1.3 30,-2.2 -2,-0.2 -2,-0.0 -0.876 75.1 -82.5 149.5 176.7 7.1 -20.3 -6.3 10 10 A T - 0 0 8 -2,-0.3 -1,-0.1 28,-0.2 31,-0.1 0.722 45.5-149.9 -86.3 -21.4 6.2 -21.1 -2.7 11 11 A F - 0 0 3 2,-0.2 49,-0.1 1,-0.1 48,-0.1 0.963 22.7-179.1 49.8 66.3 2.4 -20.4 -3.3 12 12 A D S S- 0 0 6 1,-0.9 -1,-0.1 47,-0.1 148,-0.1 -0.533 84.3 -4.9-135.3 62.2 2.1 -19.3 0.3 13 13 A P S S- 0 0 0 0, 0.0 -1,-0.9 0, 0.0 -2,-0.2 0.480 91.6-137.5 -90.3 162.6 -0.8 -18.8 -0.3 14 14 A P + 0 0 2 0, 0.0 2,-0.3 0, 0.0 141,-0.1 -0.545 35.9 171.5 -70.2 146.4 -1.7 -19.2 -4.0 15 15 A H >> - 0 0 8 -2,-0.2 4,-1.6 158,-0.1 3,-0.6 -0.862 49.4 -78.1-147.4 179.4 -4.1 -16.4 -5.2 16 16 A Y H 3> S+ 0 0 94 156,-2.0 4,-2.8 -2,-0.3 5,-0.2 0.788 120.5 64.1 -53.1 -33.5 -5.8 -14.9 -8.2 17 17 A G H 3> S+ 0 0 8 155,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.919 105.2 44.6 -57.9 -46.0 -2.5 -13.1 -9.2 18 18 A H H <> S+ 0 0 27 -3,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.908 114.9 47.5 -62.9 -45.4 -0.8 -16.5 -9.8 19 19 A L H X S+ 0 0 16 -4,-1.6 4,-2.6 1,-0.2 -2,-0.2 0.865 111.2 52.0 -67.5 -38.1 -3.8 -17.9 -11.7 20 20 A L H X S+ 0 0 66 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.893 111.5 46.8 -61.6 -44.0 -4.0 -14.7 -13.8 21 21 A I H X S+ 0 0 51 -4,-2.0 4,-2.1 -5,-0.2 5,-0.2 0.963 114.6 45.8 -65.4 -50.3 -0.4 -15.0 -14.8 22 22 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.922 114.9 48.1 -56.8 -49.0 -0.6 -18.7 -15.6 23 23 A N H X S+ 0 0 57 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.901 110.8 50.2 -58.6 -47.7 -3.8 -18.2 -17.6 24 24 A E H X S+ 0 0 70 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.858 113.9 44.4 -58.8 -41.7 -2.4 -15.2 -19.6 25 25 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 6,-0.3 0.909 111.2 55.7 -71.3 -42.0 0.8 -17.1 -20.6 26 26 A Y H <>S+ 0 0 48 -4,-2.6 5,-1.8 -5,-0.2 4,-0.4 0.916 116.4 35.6 -51.2 -51.3 -1.4 -20.1 -21.4 27 27 A H H ><5S+ 0 0 104 -4,-2.6 3,-0.7 3,-0.2 -2,-0.2 0.905 115.6 54.1 -72.6 -44.0 -3.5 -18.1 -23.8 28 28 A A H 3<5S+ 0 0 62 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.870 121.2 29.3 -58.7 -39.9 -0.7 -15.8 -25.2 29 29 A L T 3<5S- 0 0 33 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.301 103.4-121.4-107.1 5.7 1.6 -18.7 -26.2 30 30 A N T < 5 - 0 0 129 -3,-0.7 -3,-0.2 -4,-0.4 -27,-0.2 0.944 45.2-177.6 46.9 54.7 -1.0 -21.4 -26.9 31 31 A L < - 0 0 8 -5,-1.8 -27,-0.2 -6,-0.3 -1,-0.1 -0.500 32.6-137.5 -75.1 151.6 0.4 -23.7 -24.3 32 32 A E S S- 0 0 81 -29,-2.8 2,-0.3 1,-0.3 -28,-0.2 0.886 82.1 -13.7 -69.0 -43.2 -1.1 -27.2 -23.9 33 33 A E E -b 4 0A 32 -30,-0.9 -28,-2.7 2,-0.0 2,-0.4 -0.972 55.9-133.1-154.1 160.0 -0.8 -26.9 -20.0 34 34 A V E -bc 5 70A 0 35,-2.7 37,-2.4 -2,-0.3 2,-0.6 -0.996 20.6-155.1-120.0 126.7 0.7 -24.9 -17.2 35 35 A W E -bc 6 71A 17 -30,-3.1 -28,-2.4 -2,-0.4 2,-0.4 -0.908 8.9-142.8-102.0 123.5 2.3 -26.8 -14.4 36 36 A F E -bc 7 72A 0 35,-3.1 37,-3.1 -2,-0.6 -28,-0.2 -0.690 14.5-158.7 -80.5 133.9 2.5 -25.1 -11.0 37 37 A L E -b 8 0A 1 -30,-3.2 -28,-1.3 -2,-0.4 2,-0.1 -0.796 3.7-155.1-123.1 84.1 5.8 -26.0 -9.4 38 38 A P E -b 9 0A 1 0, 0.0 39,-0.5 0, 0.0 -28,-0.2 -0.390 15.9-135.7 -62.6 131.1 5.7 -25.5 -5.6 39 39 A N - 0 0 5 -30,-2.2 2,-0.3 37,-0.1 38,-0.1 -0.479 14.6-111.9 -83.4 155.9 9.1 -24.9 -4.1 40 40 A Q - 0 0 26 41,-0.2 43,-0.1 -2,-0.2 37,-0.1 -0.637 26.2-147.6 -78.8 148.1 10.5 -26.5 -0.9 41 41 A I - 0 0 18 -2,-0.3 3,-0.1 10,-0.1 12,-0.1 -0.979 14.7-126.9-117.5 126.6 11.1 -24.2 2.0 42 42 A P - 0 0 14 0, 0.0 3,-0.1 0, 0.0 39,-0.1 -0.358 43.4 -82.0 -68.4 154.2 14.0 -24.9 4.5 43 43 A P - 0 0 105 0, 0.0 2,-0.1 0, 0.0 6,-0.1 -0.211 56.0 -90.4 -57.7 147.0 13.1 -25.2 8.2 44 44 A H > - 0 0 34 4,-0.4 3,-1.3 1,-0.1 288,-0.2 -0.422 29.7-142.7 -61.0 128.5 12.8 -21.9 10.1 45 45 A K T 3 S+ 0 0 101 286,-2.6 -1,-0.1 1,-0.3 287,-0.1 0.745 100.1 42.7 -65.3 -27.8 16.2 -20.9 11.5 46 46 A Q T 3 S- 0 0 111 285,-0.4 -1,-0.3 3,-0.1 3,-0.1 -0.038 119.2-104.1-111.6 28.4 14.7 -19.5 14.7 47 47 A G S < S+ 0 0 73 -3,-1.3 -2,-0.1 1,-0.1 -3,-0.1 0.494 78.5 132.1 63.9 9.1 12.1 -22.3 15.2 48 48 A R - 0 0 169 1,-0.2 -4,-0.4 283,-0.1 2,-0.2 0.018 59.8 -59.9 -82.8-169.7 9.2 -20.2 14.0 49 49 A N + 0 0 96 -3,-0.1 2,-0.3 -6,-0.1 -1,-0.2 -0.489 40.3 174.4 -80.6 137.7 6.4 -21.2 11.5 50 50 A I - 0 0 58 -2,-0.2 2,-0.4 -6,-0.1 -6,-0.0 -0.939 44.1-105.2-119.2 153.9 6.7 -22.1 7.9 51 51 A T - 0 0 6 -2,-0.3 -10,-0.1 1,-0.1 135,-0.0 -0.684 47.6-112.6 -74.9 127.9 3.5 -23.3 6.1 52 52 A S > - 0 0 49 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.076 12.2-116.9 -59.5 158.0 3.8 -27.1 5.7 53 53 A V H > S+ 0 0 51 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.913 118.3 54.9 -55.9 -44.5 4.3 -29.0 2.4 54 54 A E H > S+ 0 0 156 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.918 110.3 44.4 -55.9 -48.6 0.8 -30.6 3.2 55 55 A S H > S+ 0 0 13 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.950 114.2 47.6 -64.5 -50.4 -0.9 -27.2 3.5 56 56 A R H X S+ 0 0 1 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.906 112.6 49.7 -62.6 -40.0 0.8 -25.6 0.5 57 57 A L H X S+ 0 0 45 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.916 112.0 47.3 -64.1 -43.1 -0.0 -28.6 -1.8 58 58 A Q H X S+ 0 0 77 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.872 110.6 50.9 -70.5 -36.7 -3.7 -28.7 -0.7 59 59 A M H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.926 111.5 50.2 -60.6 -43.0 -4.2 -24.9 -1.2 60 60 A L H X S+ 0 0 0 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.890 109.3 50.1 -62.8 -42.8 -2.6 -25.4 -4.7 61 61 A E H X S+ 0 0 86 -4,-2.4 4,-1.5 2,-0.2 3,-0.3 0.947 113.3 46.2 -56.9 -48.4 -5.0 -28.3 -5.5 62 62 A L H < S+ 0 0 28 -4,-2.4 4,-0.4 1,-0.2 -2,-0.2 0.888 112.4 50.8 -63.9 -39.2 -8.0 -26.2 -4.4 63 63 A A H < S+ 0 0 3 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.784 122.8 29.8 -66.0 -31.0 -6.7 -23.2 -6.4 64 64 A T H >< S+ 0 0 5 -4,-1.6 3,-1.3 -3,-0.3 6,-0.3 0.443 88.7 100.1-113.4 -1.8 -6.2 -25.2 -9.6 65 65 A E T 3< S+ 0 0 99 -4,-1.5 -3,-0.1 1,-0.3 -2,-0.1 0.809 80.6 54.0 -60.3 -36.5 -8.9 -28.0 -9.4 66 66 A A T 3 S+ 0 0 84 -4,-0.4 2,-0.7 -3,-0.1 -1,-0.3 0.702 95.0 80.7 -73.0 -20.2 -11.4 -26.4 -11.7 67 67 A E X - 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