==== 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 02-AUG-12 4B55 . COMPND 2 MOLECULE: ARYLAMINE N-ACETYLTRANSFERASE NAT; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM MARINUM; . AUTHOR A.ABUHAMMAD,E.FULLAM,E.D.LOWE,D.STAUNTON,A.KAWAMURA,I.M.WEST . 273 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12386.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 194 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 62 22.7 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 . 6 2.2 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 . 25 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 25.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.6 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 2 0 0 1 1 1 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 2 3 0 3 1 1 1 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 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 3 A L 0 0 177 0, 0.0 2,-1.7 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 -2.6 -7.5 31.7 5.4 2 4 A D > + 0 0 58 1,-0.2 4,-1.7 2,-0.1 5,-0.1 -0.434 360.0 151.9 -85.9 59.5 -7.0 34.5 2.8 3 5 A L H > + 0 0 46 -2,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.891 69.2 51.1 -57.7 -45.0 -9.8 33.1 0.6 4 6 A T H > S+ 0 0 76 -3,-0.3 4,-2.2 1,-0.2 5,-0.2 0.905 106.9 53.3 -59.8 -48.2 -10.7 36.5 -0.9 5 7 A G H > S+ 0 0 29 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.873 111.1 47.1 -55.4 -43.0 -7.1 37.3 -1.8 6 8 A Y H X S+ 0 0 4 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.915 111.2 49.7 -65.0 -48.5 -6.8 34.0 -3.7 7 9 A L H <>S+ 0 0 26 -4,-2.1 5,-3.0 1,-0.2 -2,-0.2 0.818 112.7 47.6 -63.9 -33.7 -10.1 34.4 -5.6 8 10 A D H ><5S+ 0 0 66 -4,-2.2 3,-0.7 3,-0.2 -1,-0.2 0.861 109.1 55.1 -72.7 -38.4 -9.1 38.0 -6.6 9 11 A R H 3<5S+ 0 0 12 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.879 114.1 39.1 -60.8 -42.8 -5.7 36.7 -7.7 10 12 A I T 3<5S- 0 0 5 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.377 112.2-122.9 -88.8 1.7 -7.3 34.1 -10.0 11 13 A N T < 5 + 0 0 130 -3,-0.7 2,-0.4 1,-0.2 -3,-0.2 0.863 50.9 166.0 55.8 44.0 -10.0 36.6 -11.1 12 14 A Y < + 0 0 30 -5,-3.0 -1,-0.2 -6,-0.1 -2,-0.1 -0.738 16.1 163.3 -89.9 135.9 -12.8 34.3 -10.0 13 15 A R + 0 0 103 -2,-0.4 -1,-0.1 2,-0.0 3,-0.1 0.498 42.6 95.7-128.6 -11.4 -16.3 35.9 -9.6 14 16 A G S S- 0 0 45 1,-0.2 -2,-0.0 8,-0.1 8,-0.0 0.254 82.7 -53.4 -71.1-166.2 -18.7 33.0 -9.5 15 17 A A - 0 0 54 1,-0.1 -1,-0.2 2,-0.0 -2,-0.0 -0.242 35.0-148.7 -70.1 159.6 -20.4 31.0 -6.7 16 18 A T + 0 0 67 -3,-0.1 -1,-0.1 2,-0.1 -2,-0.0 0.189 52.2 124.8-117.9 14.3 -18.4 29.4 -3.9 17 19 A D S S- 0 0 104 1,-0.1 2,-2.0 66,-0.0 5,-0.2 -0.501 75.7-102.2 -75.6 143.1 -20.6 26.4 -3.1 18 20 A P S S+ 0 0 30 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.433 74.8 129.7 -69.7 81.6 -18.9 22.9 -3.2 19 21 A T S > S- 0 0 59 -2,-2.0 4,-1.8 96,-0.1 5,-0.1 -0.741 71.4-107.4-125.9 175.3 -20.2 21.7 -6.6 20 22 A L H > S+ 0 0 37 -2,-0.2 4,-2.2 2,-0.2 5,-0.1 0.891 118.0 50.8 -69.4 -43.0 -18.9 20.3 -9.9 21 23 A D H > S+ 0 0 103 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.878 111.2 47.8 -63.3 -41.5 -19.4 23.6 -11.8 22 24 A V H > S+ 0 0 7 -5,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.908 110.9 51.6 -65.9 -43.2 -17.6 25.6 -9.2 23 25 A L H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.900 112.1 46.8 -60.3 -42.7 -14.7 23.0 -9.2 24 26 A R H X S+ 0 0 112 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.932 114.4 46.6 -62.3 -49.5 -14.5 23.3 -13.0 25 27 A D H X S+ 0 0 86 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.810 113.2 49.3 -65.2 -33.6 -14.6 27.2 -12.9 26 28 A L H X S+ 0 0 3 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.912 111.2 48.0 -71.9 -45.4 -12.0 27.3 -10.1 27 29 A V H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.887 114.0 48.2 -61.4 -42.1 -9.5 24.9 -11.9 28 30 A S H X S+ 0 0 64 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.883 114.6 45.2 -66.3 -40.9 -10.0 27.0 -15.2 29 31 A A H X S+ 0 0 22 -4,-1.8 4,-0.8 2,-0.2 -2,-0.2 0.892 114.7 48.5 -69.7 -41.6 -9.4 30.3 -13.4 30 32 A H H >X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 3,-0.8 0.928 112.1 47.1 -63.1 -51.6 -6.4 29.0 -11.4 31 33 A T H 3< S+ 0 0 11 -4,-2.4 180,-0.9 1,-0.2 -1,-0.2 0.732 114.5 48.2 -64.5 -26.5 -4.6 27.4 -14.5 32 34 A G H 3< S+ 0 0 38 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.587 120.9 34.3 -88.7 -13.7 -5.1 30.6 -16.5 33 35 A A H << S+ 0 0 28 -3,-0.8 2,-0.7 -4,-0.8 -2,-0.2 0.770 107.8 57.8-111.6 -38.7 -3.9 33.0 -13.8 34 36 A I S < S- 0 0 4 -4,-2.7 -1,-0.2 -5,-0.2 31,-0.1 -0.886 75.5-143.1-106.4 111.1 -1.0 31.3 -11.8 35 37 A A - 0 0 3 -2,-0.7 31,-1.2 216,-0.4 2,-0.4 -0.182 13.6-119.1 -66.7 155.1 2.0 30.2 -13.9 36 38 A F E +aB 66 209A 18 173,-3.2 173,-2.0 29,-0.2 2,-0.3 -0.828 49.9 153.5 -89.0 133.9 4.0 27.1 -13.3 37 39 A E E - B 0 208A 0 29,-1.7 171,-0.2 -2,-0.4 3,-0.1 -0.976 43.0-156.7-160.9 155.6 7.7 28.1 -12.6 38 40 A N > + 0 0 1 169,-0.8 4,-2.2 -2,-0.3 5,-0.2 -0.126 48.6 130.7-126.1 34.7 10.8 26.9 -10.8 39 41 A L H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 6,-0.2 0.820 72.6 54.4 -59.9 -33.9 12.6 30.3 -10.2 40 42 A D H >4>S+ 0 0 17 2,-0.2 5,-3.2 1,-0.2 3,-0.6 0.988 111.9 40.1 -65.9 -59.9 13.2 29.5 -6.5 41 43 A P H >45S+ 0 0 3 0, 0.0 3,-1.1 0, 0.0 -2,-0.2 0.843 114.7 55.2 -56.9 -35.1 15.0 26.1 -7.0 42 44 A L H 3<5S+ 0 0 2 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.858 109.8 46.0 -63.5 -37.6 16.9 27.5 -10.0 43 45 A M T <<5S- 0 0 56 -4,-1.6 -1,-0.2 -3,-0.6 -3,-0.1 0.302 126.6-100.3 -88.7 7.2 18.1 30.4 -7.8 44 46 A G T < 5S+ 0 0 62 -3,-1.1 -2,-0.1 -4,-0.3 -4,-0.1 0.643 81.6 134.4 81.4 18.6 19.1 27.9 -5.0 45 47 A V < - 0 0 70 -5,-3.2 -1,-0.2 -6,-0.2 -2,-0.2 -0.893 48.8-138.9-101.3 111.3 16.0 28.7 -2.9 46 48 A P - 0 0 55 0, 0.0 2,-0.8 0, 0.0 3,-0.2 -0.245 7.7-132.3 -68.5 157.6 14.3 25.4 -1.7 47 49 A V + 0 0 7 144,-0.4 148,-0.2 1,-0.2 147,-0.1 -0.896 57.0 133.9-109.5 90.8 10.6 24.7 -1.6 48 50 A D + 0 0 56 -2,-0.8 2,-0.8 1,-0.1 -1,-0.2 0.657 46.3 75.1-111.9 -32.5 10.4 23.4 2.0 49 51 A D + 0 0 97 -3,-0.2 -1,-0.1 1,-0.1 0, 0.0 -0.811 45.2 166.6 -96.7 105.7 7.3 25.2 3.5 50 52 A L + 0 0 12 -2,-0.8 -1,-0.1 4,-0.1 2,-0.0 0.106 32.4 127.2-105.4 20.5 4.1 23.7 2.2 51 53 A S S > S- 0 0 35 1,-0.1 4,-2.0 4,-0.0 5,-0.2 -0.308 73.3-110.8 -73.1 160.9 1.7 25.3 4.8 52 54 A A H > S+ 0 0 21 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.873 117.2 51.4 -58.4 -39.9 -1.4 27.4 3.7 53 55 A E H > S+ 0 0 140 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.890 110.7 45.4 -67.2 -44.9 0.3 30.6 4.9 54 56 A A H > S+ 0 0 26 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.877 115.4 46.5 -68.4 -41.0 3.6 30.2 3.0 55 57 A L H X S+ 0 0 3 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.864 113.9 47.4 -71.2 -37.9 2.0 29.1 -0.3 56 58 A A H X>S+ 0 0 19 -4,-1.9 5,-2.0 -5,-0.2 4,-1.5 0.848 109.1 56.0 -70.6 -34.8 -0.6 32.0 -0.2 57 59 A D H <>S+ 0 0 70 -4,-1.8 5,-1.7 3,-0.2 -2,-0.2 0.930 119.1 31.4 -60.8 -46.4 2.2 34.4 0.7 58 60 A K H <5S+ 0 0 9 -4,-1.7 6,-2.0 3,-0.2 -2,-0.2 0.966 126.6 36.8 -76.9 -58.7 4.2 33.4 -2.4 59 61 A L H <5S+ 0 0 0 -4,-2.6 -3,-0.2 4,-0.2 -2,-0.1 0.688 133.1 21.0 -73.5 -22.5 1.5 32.5 -5.0 60 62 A V T ><5S+ 0 0 10 -4,-1.5 3,-0.5 -5,-0.3 -3,-0.2 0.813 128.8 34.1-108.4 -66.0 -1.1 35.1 -4.1 61 63 A D T 3 > - 0 0 4 -2,-0.3 4,-2.9 -31,-0.2 3,-0.9 -0.368 60.0 -65.9-106.8-168.6 5.5 23.9 -9.1 68 70 A C H 3> S+ 0 0 11 59,-0.5 4,-2.3 1,-0.3 5,-0.5 0.818 129.9 48.7 -46.7 -49.0 3.3 20.9 -8.3 69 71 A Y H 3> S+ 0 0 7 1,-0.2 4,-0.5 38,-0.2 -1,-0.3 0.821 117.9 42.7 -63.5 -33.2 3.7 21.0 -4.5 70 72 A E H <> S+ 0 0 5 -3,-0.9 4,-2.0 3,-0.2 -2,-0.2 0.882 118.5 42.4 -80.9 -43.1 2.9 24.7 -4.5 71 73 A H H X S+ 0 0 2 -4,-2.9 4,-2.3 2,-0.2 5,-0.2 0.957 122.1 37.0 -69.4 -55.1 -0.0 24.7 -7.0 72 74 A N H X S+ 0 0 0 -4,-2.3 4,-1.2 -5,-0.2 -3,-0.2 0.731 115.9 56.8 -72.7 -22.7 -1.8 21.6 -5.7 73 75 A G H X S+ 0 0 3 -4,-0.5 4,-1.6 -5,-0.5 -2,-0.2 0.966 111.5 41.4 -67.5 -53.5 -0.9 22.5 -2.1 74 76 A L H X S+ 0 0 6 -4,-2.0 4,-1.9 1,-0.2 3,-0.3 0.925 117.2 44.9 -61.4 -53.7 -2.6 26.0 -2.4 75 77 A I H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.828 109.8 58.9 -62.0 -32.6 -5.7 24.9 -4.4 76 78 A G H X S+ 0 0 1 -4,-1.2 4,-1.7 -5,-0.2 -1,-0.2 0.871 107.4 45.0 -62.3 -41.4 -6.1 21.9 -1.9 77 79 A Y H X S+ 0 0 64 -4,-1.6 4,-1.7 -3,-0.3 -2,-0.2 0.877 113.7 50.7 -69.6 -39.9 -6.3 24.3 1.0 78 80 A V H X S+ 0 0 13 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.932 111.2 47.1 -62.6 -49.9 -8.8 26.5 -0.9 79 81 A L H X>S+ 0 0 0 -4,-2.8 5,-2.5 1,-0.2 4,-0.7 0.872 109.9 53.4 -61.9 -39.6 -11.1 23.6 -1.8 80 82 A A H ><5S+ 0 0 54 -4,-1.7 3,-0.7 1,-0.2 -1,-0.2 0.889 108.3 50.5 -61.7 -40.7 -11.0 22.3 1.8 81 83 A E H 3<5S+ 0 0 110 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.810 107.7 54.2 -66.1 -33.3 -12.1 25.7 3.1 82 84 A L H 3<5S- 0 0 23 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.607 128.6 -94.2 -78.4 -14.3 -15.0 25.7 0.5 83 85 A G T <<5S+ 0 0 41 -4,-0.7 -3,-0.2 -3,-0.7 2,-0.2 0.410 79.8 135.0 115.0 1.8 -16.3 22.4 1.8 84 86 A Y < - 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