==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 16-FEB-10 3LTW . COMPND 2 MOLECULE: ARYLAMINE N-ACETYLTRANSFERASE NAT; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM MARINUM; . AUTHOR A.M.ABUHAMMAD,E.D.LOWE,E.FULLAM,M.NOBLE,E.F.GARMAN,E.SIM . 272 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12189.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 69.9 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 . 63 23.2 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 . 24 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 25.7 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 2 2 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 4 A D > 0 0 157 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -31.9 -32.9 8.6 2.7 2 5 A L H > + 0 0 47 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.888 360.0 50.8 -58.8 -43.8 -35.7 7.2 0.5 3 6 A T H > S+ 0 0 114 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.910 106.9 53.3 -60.8 -47.6 -36.5 10.6 -1.0 4 7 A G H > S+ 0 0 32 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.883 111.0 47.5 -55.3 -42.9 -32.9 11.4 -1.9 5 8 A Y H X S+ 0 0 4 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.922 110.8 49.9 -64.1 -47.8 -32.6 8.1 -3.8 6 9 A L H <>S+ 0 0 24 -4,-2.2 5,-3.0 1,-0.2 -2,-0.2 0.821 112.4 47.8 -65.0 -33.5 -35.9 8.6 -5.7 7 10 A D H ><5S+ 0 0 121 -4,-2.2 3,-0.8 3,-0.2 -1,-0.2 0.862 108.7 55.4 -71.3 -39.1 -34.9 12.1 -6.8 8 11 A R H 3<5S+ 0 0 40 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.882 113.8 39.1 -60.3 -42.5 -31.5 10.8 -7.8 9 12 A I T 3<5S- 0 0 4 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.381 112.1-122.4 -89.5 3.3 -33.0 8.2 -10.2 10 13 A N T < 5 + 0 0 129 -3,-0.8 2,-0.4 1,-0.2 -3,-0.2 0.869 50.6 166.8 54.9 44.3 -35.7 10.7 -11.2 11 14 A Y < + 0 0 29 -5,-3.0 -1,-0.2 -6,-0.1 -2,-0.1 -0.731 16.0 164.1 -89.9 136.6 -38.6 8.5 -10.1 12 15 A R + 0 0 102 -2,-0.4 -1,-0.1 2,-0.0 3,-0.1 0.485 42.8 94.7-128.5 -11.5 -42.0 10.0 -9.9 13 16 A G S S- 0 0 44 1,-0.2 -2,-0.0 8,-0.1 8,-0.0 0.230 82.4 -54.5 -74.8-164.8 -44.5 7.1 -9.7 14 17 A A - 0 0 56 1,-0.1 -1,-0.2 2,-0.0 -2,-0.0 -0.243 34.7-148.2 -71.9 162.3 -46.2 5.2 -6.9 15 18 A T + 0 0 66 -3,-0.1 -1,-0.1 2,-0.1 -2,-0.0 0.185 51.8 124.4-121.7 15.3 -44.2 3.6 -4.0 16 19 A D S S- 0 0 102 1,-0.1 2,-2.0 66,-0.0 5,-0.2 -0.505 75.6-101.6 -75.7 145.1 -46.4 0.5 -3.2 17 20 A P S S+ 0 0 31 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.450 75.1 128.8 -71.3 81.6 -44.7 -2.9 -3.3 18 21 A T S > S- 0 0 60 -2,-2.0 4,-1.8 96,-0.1 5,-0.1 -0.734 71.7-106.1-126.9 175.5 -46.0 -4.1 -6.7 19 22 A L H > S+ 0 0 40 -2,-0.2 4,-2.2 2,-0.2 5,-0.1 0.893 117.9 50.8 -68.9 -42.8 -44.7 -5.6 -9.9 20 23 A D H > S+ 0 0 100 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.876 111.0 48.1 -63.9 -41.2 -45.2 -2.4 -11.9 21 24 A V H > S+ 0 0 7 2,-0.2 4,-2.5 -5,-0.2 -1,-0.2 0.903 110.4 52.0 -65.8 -42.4 -43.3 -0.3 -9.3 22 25 A L H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.905 112.0 46.8 -59.4 -43.7 -40.5 -2.8 -9.3 23 26 A R H X S+ 0 0 117 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.933 114.0 46.9 -61.1 -49.3 -40.3 -2.6 -13.1 24 27 A D H X S+ 0 0 88 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.812 112.9 49.7 -66.2 -33.2 -40.4 1.3 -13.0 25 28 A L H X S+ 0 0 2 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.918 111.2 47.5 -70.8 -46.8 -37.7 1.4 -10.2 26 29 A V H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.883 113.7 49.5 -60.3 -40.8 -35.3 -0.9 -12.0 27 30 A S H X S+ 0 0 71 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.909 114.1 44.2 -64.1 -45.8 -35.8 1.1 -15.2 28 31 A A H X S+ 0 0 20 -4,-1.9 4,-0.7 2,-0.2 -2,-0.2 0.887 114.7 49.6 -67.0 -41.6 -35.2 4.4 -13.5 29 32 A H H >X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 3,-0.8 0.932 111.5 46.6 -63.0 -50.3 -32.2 3.1 -11.5 30 33 A T H 3< S+ 0 0 10 -4,-2.3 180,-0.9 1,-0.2 -1,-0.2 0.737 114.4 49.0 -67.7 -24.8 -30.4 1.5 -14.5 31 34 A G H 3< S+ 0 0 38 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.597 120.5 34.4 -87.4 -13.4 -30.9 4.7 -16.6 32 35 A A H << S+ 0 0 28 -3,-0.8 2,-0.7 -4,-0.7 -2,-0.2 0.770 107.9 57.2-113.4 -38.3 -29.7 7.1 -13.9 33 36 A I S < S- 0 0 4 -4,-2.6 -1,-0.2 -5,-0.2 31,-0.1 -0.884 75.6-142.4-108.7 110.9 -26.8 5.5 -11.9 34 37 A A - 0 0 2 -2,-0.7 31,-1.3 216,-0.4 2,-0.4 -0.175 13.5-118.9 -65.1 153.0 -23.8 4.4 -14.0 35 38 A F E +aB 65 208A 12 173,-3.1 173,-2.0 29,-0.2 2,-0.3 -0.824 50.0 153.8 -83.5 133.7 -21.7 1.3 -13.4 36 39 A E E - B 0 207A 0 29,-1.7 171,-0.2 -2,-0.4 3,-0.1 -0.978 42.7-156.8-159.8 156.5 -18.1 2.3 -12.7 37 40 A N > + 0 0 1 169,-0.8 4,-2.3 -2,-0.3 5,-0.2 -0.123 48.5 130.6-125.4 34.9 -15.0 1.1 -10.9 38 41 A L H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 6,-0.2 0.818 72.3 55.0 -61.8 -32.7 -13.2 4.4 -10.3 39 42 A D H 4>S+ 0 0 17 2,-0.2 5,-3.3 1,-0.2 3,-0.5 0.985 111.3 40.2 -64.5 -60.3 -12.6 3.6 -6.6 40 43 A P H >45S+ 0 0 3 0, 0.0 3,-1.1 0, 0.0 -2,-0.2 0.854 114.3 55.7 -56.8 -35.9 -10.9 0.2 -7.1 41 44 A L H 3<5S+ 0 0 2 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.859 109.6 45.8 -62.4 -37.6 -8.9 1.7 -10.1 42 45 A M T 3<5S- 0 0 56 -4,-1.5 -1,-0.2 -3,-0.5 -3,-0.1 0.302 126.5 -99.9 -89.8 7.5 -7.6 4.5 -7.9 43 46 A G T < 5S+ 0 0 62 -3,-1.1 -2,-0.1 1,-0.2 -4,-0.1 0.657 81.8 133.5 82.7 17.6 -6.7 2.1 -5.0 44 47 A V < - 0 0 69 -5,-3.3 -1,-0.2 -6,-0.2 -2,-0.2 -0.903 49.2-138.4-102.2 113.1 -9.9 2.8 -3.0 45 48 A P - 0 0 54 0, 0.0 2,-0.7 0, 0.0 3,-0.2 -0.248 6.7-133.4 -68.1 155.1 -11.5 -0.4 -1.7 46 49 A V + 0 0 7 144,-0.4 148,-0.2 1,-0.1 147,-0.1 -0.892 56.9 131.9-106.5 95.9 -15.3 -1.1 -1.7 47 50 A D + 0 0 49 -2,-0.7 2,-0.8 1,-0.1 -1,-0.1 0.693 45.3 76.8-116.2 -35.0 -15.6 -2.5 1.8 48 51 A D + 0 0 95 -3,-0.2 -1,-0.1 1,-0.1 0, 0.0 -0.757 45.1 167.2 -94.8 105.4 -18.5 -0.7 3.4 49 52 A L + 0 0 14 -2,-0.8 -1,-0.1 4,-0.1 2,-0.0 0.094 31.9 127.1-107.3 20.4 -21.8 -2.1 2.1 50 53 A S S > S- 0 0 46 1,-0.1 4,-2.0 4,-0.0 5,-0.2 -0.297 73.5-110.0 -71.4 161.6 -24.1 -0.5 4.7 51 54 A A H > S+ 0 0 34 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.878 117.3 51.7 -58.5 -40.5 -27.2 1.6 3.6 52 55 A E H > S+ 0 0 79 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.902 110.8 45.1 -65.6 -45.7 -25.5 4.8 4.8 53 56 A A H > S+ 0 0 26 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.882 115.3 46.4 -68.5 -40.9 -22.2 4.3 3.0 54 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 47.7 -72.2 -37.7 -23.8 3.3 -0.3 55 58 A A H X>S+ 0 0 17 -4,-1.9 5,-2.1 -5,-0.2 4,-1.5 0.849 108.9 56.0 -69.2 -36.3 -26.4 6.1 -0.3 56 59 A D H <>S+ 0 0 71 -4,-1.8 5,-1.7 3,-0.2 -2,-0.2 0.930 118.8 31.8 -58.5 -47.2 -23.6 8.6 0.6 57 60 A K H <5S+ 0 0 8 -4,-1.7 6,-2.0 3,-0.2 -2,-0.2 0.967 126.4 36.6 -77.2 -57.2 -21.6 7.6 -2.5 58 61 A L H <5S+ 0 0 0 -4,-2.6 -3,-0.2 4,-0.2 -2,-0.1 0.695 132.8 21.4 -77.1 -21.5 -24.3 6.7 -5.1 59 62 A V T <5S+ 0 0 13 -4,-1.5 3,-0.5 -5,-0.3 -3,-0.2 0.808 128.5 34.1-107.9 -64.1 -26.9 9.3 -4.2 60 63 A D T > - 0 0 1 -2,-0.3 4,-2.9 -31,-0.2 3,-0.9 -0.356 60.0 -64.6-108.0-164.7 -20.3 -1.9 -9.2 67 70 A C H 3> S+ 0 0 9 59,-0.5 4,-2.3 1,-0.3 5,-0.5 0.827 129.7 48.3 -52.8 -46.5 -22.5 -4.9 -8.3 68 71 A Y H 3> S+ 0 0 7 1,-0.2 4,-0.5 38,-0.2 -1,-0.3 0.827 118.0 43.4 -63.6 -32.3 -22.1 -4.8 -4.5 69 72 A E H <> S+ 0 0 6 -3,-0.9 4,-2.0 3,-0.2 -2,-0.2 0.884 117.9 42.6 -80.7 -42.8 -22.9 -1.1 -4.5 70 73 A H H X S+ 0 0 2 -4,-2.9 4,-2.3 2,-0.2 5,-0.2 0.956 121.7 37.1 -69.5 -54.4 -25.8 -1.1 -7.0 71 74 A N H X S+ 0 0 0 -4,-2.3 4,-1.2 -5,-0.2 -3,-0.2 0.733 115.5 57.3 -74.9 -22.8 -27.6 -4.2 -5.7 72 75 A G H X S+ 0 0 3 -4,-0.5 4,-1.6 -5,-0.5 -2,-0.2 0.960 111.3 41.5 -63.6 -54.1 -26.8 -3.3 -2.2 73 76 A L H X S+ 0 0 6 -4,-2.0 4,-2.0 2,-0.2 3,-0.3 0.933 117.0 44.7 -62.7 -52.2 -28.4 0.1 -2.5 74 77 A I H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.833 109.8 59.2 -64.1 -31.4 -31.6 -1.0 -4.4 75 78 A G H X S+ 0 0 1 -4,-1.2 4,-1.7 -5,-0.2 -1,-0.2 0.877 107.2 45.3 -61.2 -41.7 -31.9 -3.9 -2.0 76 79 A Y H X S+ 0 0 67 -4,-1.6 4,-1.8 -3,-0.3 -2,-0.2 0.877 113.2 50.8 -69.1 -40.0 -32.2 -1.5 0.9 77 80 A V H X S+ 0 0 13 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.935 110.9 47.3 -62.7 -48.5 -34.6 0.7 -1.0 78 81 A L H X>S+ 0 0 0 -4,-2.8 5,-2.5 1,-0.2 4,-0.8 0.878 109.7 53.7 -63.1 -39.6 -36.9 -2.2 -1.9 79 82 A A H ><5S+ 0 0 54 -4,-1.7 3,-0.6 1,-0.2 -1,-0.2 0.889 108.0 50.6 -60.3 -41.7 -36.8 -3.5 1.7 80 83 A E H 3<5S+ 0 0 132 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.812 107.3 54.2 -65.6 -32.7 -38.0 -0.1 3.0 81 84 A L H 3<5S- 0 0 23 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.613 128.6 -93.8 -79.8 -14.0 -40.9 -0.1 0.4 82 85 A G T <<5S+ 0 0 44 -4,-0.8 -3,-0.2 -3,-0.6 2,-0.2 0.431 79.8 135.1 115.7 2.3 -42.2 -3.5 1.7 83 86 A Y < - 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