==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-SEP-13 4C5P . COMPND 2 MOLECULE: ARYLAMINE N-ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM MARINUM; . AUTHOR A.ABUHAMMAD,E.D.LOWE,E.F.GARMAN,E.SIM . 272 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12191.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 193 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 22.1 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 . 23 8.5 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 . 8 2.9 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 0 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 3 2 0 2 2 2 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 1 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 0 146 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -4.7 34.8 -7.2 -2.5 2 5 A L H > + 0 0 47 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.899 360.0 49.6 -58.3 -40.9 33.1 -9.7 -0.3 3 6 A T H > S+ 0 0 93 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.894 105.0 56.0 -69.1 -40.6 36.4 -10.5 1.4 4 7 A G H > S+ 0 0 31 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.927 111.9 44.8 -54.0 -45.1 37.3 -6.9 2.1 5 8 A Y H X S+ 0 0 5 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.925 111.9 50.7 -65.1 -45.6 34.0 -6.5 3.9 6 9 A L H <>S+ 0 0 17 -4,-2.2 5,-2.6 1,-0.2 4,-0.3 0.881 112.3 47.7 -64.2 -34.5 34.4 -9.8 5.8 7 10 A D H ><5S+ 0 0 106 -4,-2.8 3,-1.3 3,-0.2 -1,-0.2 0.917 107.6 56.5 -68.8 -42.5 37.9 -8.8 6.9 8 11 A R H 3<5S+ 0 0 42 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.857 113.7 39.2 -55.1 -38.0 36.6 -5.4 8.0 9 12 A I T 3<5S- 0 0 4 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.387 109.6-122.6 -99.5 8.6 34.0 -7.0 10.3 10 13 A N T < 5 + 0 0 141 -3,-1.3 2,-0.4 -4,-0.3 -3,-0.2 0.885 50.1 167.9 51.5 47.3 36.5 -9.7 11.5 11 14 A Y < + 0 0 24 -5,-2.6 -1,-0.2 -6,-0.1 -2,-0.1 -0.778 15.1 168.9 -93.6 133.1 34.2 -12.5 10.3 12 15 A R + 0 0 102 -2,-0.4 -1,-0.1 2,-0.0 -2,-0.0 0.677 41.8 89.8-115.3 -25.1 35.7 -16.0 10.2 13 16 A G S S- 0 0 46 1,-0.1 -2,-0.0 8,-0.1 8,-0.0 0.443 81.8 -53.0 -70.8-160.4 32.8 -18.5 9.7 14 17 A A - 0 0 55 1,-0.1 -1,-0.1 2,-0.0 -2,-0.0 -0.197 34.8-148.7 -69.0 167.0 31.0 -20.2 6.9 15 18 A T + 0 0 64 2,-0.0 -1,-0.1 66,-0.0 -2,-0.0 0.180 52.5 123.5-128.7 18.4 29.4 -18.2 4.1 16 19 A D S S- 0 0 104 1,-0.1 2,-2.1 66,-0.0 5,-0.2 -0.458 77.0-101.7 -72.7 150.5 26.4 -20.3 3.1 17 20 A P S S+ 0 0 31 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.487 74.2 131.5 -80.4 79.4 23.1 -18.5 3.3 18 21 A T S > S- 0 0 58 -2,-2.1 4,-2.2 96,-0.1 5,-0.1 -0.752 71.1-107.3-122.5 171.3 21.8 -20.0 6.6 19 22 A L H > S+ 0 0 35 -2,-0.2 4,-2.5 2,-0.2 5,-0.2 0.909 118.4 52.6 -65.2 -42.7 20.3 -18.7 9.8 20 23 A D H > S+ 0 0 100 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.900 110.5 47.4 -58.4 -45.3 23.6 -19.3 11.7 21 24 A V H > S+ 0 0 6 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.908 110.6 52.2 -63.9 -40.1 25.6 -17.3 9.2 22 25 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.936 110.8 47.7 -64.3 -44.6 23.1 -14.5 9.2 23 26 A R H X S+ 0 0 120 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.924 114.1 46.9 -57.5 -46.4 23.3 -14.3 13.0 24 27 A D H X S+ 0 0 88 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.889 112.7 49.0 -69.9 -38.9 27.1 -14.3 12.9 25 28 A L H X S+ 0 0 1 -4,-3.1 4,-3.0 2,-0.2 5,-0.2 0.922 111.9 48.3 -63.3 -45.3 27.3 -11.7 10.2 26 29 A V H X S+ 0 0 1 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.934 113.4 47.6 -63.1 -43.5 24.9 -9.3 12.0 27 30 A S H X S+ 0 0 69 -4,-2.4 4,-1.3 -5,-0.2 -1,-0.2 0.910 114.4 46.7 -61.8 -43.1 26.8 -9.7 15.2 28 31 A A H X S+ 0 0 18 -4,-2.2 4,-0.6 2,-0.2 -2,-0.2 0.926 113.1 48.5 -65.7 -46.3 30.2 -9.1 13.5 29 32 A H H >X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 3,-1.3 0.941 111.7 48.2 -58.4 -50.7 28.9 -6.1 11.5 30 33 A T H 3< S+ 0 0 10 -4,-2.4 180,-0.7 1,-0.3 -1,-0.2 0.762 113.3 48.3 -71.4 -21.0 27.4 -4.4 14.5 31 34 A G H 3< S+ 0 0 44 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.519 120.8 35.3 -86.6 -8.7 30.5 -4.9 16.6 32 35 A A H << S+ 0 0 24 -3,-1.3 2,-0.7 -4,-0.6 -2,-0.2 0.750 107.5 55.6-116.8 -40.0 32.9 -3.6 13.9 33 36 A I S < S- 0 0 4 -4,-2.8 -1,-0.2 -5,-0.2 31,-0.1 -0.881 75.5-140.1-110.7 111.2 31.3 -0.7 12.0 34 37 A A - 0 0 2 -2,-0.7 31,-1.6 216,-0.5 2,-0.5 -0.203 13.5-119.1 -64.7 153.7 30.1 2.3 14.0 35 38 A F E +aB 65 208A 13 173,-3.1 173,-2.1 29,-0.2 2,-0.3 -0.796 52.0 151.4 -78.9 131.9 27.0 4.3 13.5 36 39 A E E - B 0 207A 0 29,-1.5 171,-0.2 -2,-0.5 3,-0.1 -0.965 42.6-157.8-160.9 154.8 28.1 7.9 12.7 37 40 A N > + 0 0 1 169,-0.9 4,-2.2 -2,-0.3 5,-0.2 -0.155 47.3 130.6-123.0 36.1 26.9 10.9 10.9 38 41 A L H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 6,-0.2 0.856 71.8 57.3 -62.9 -29.1 30.2 12.8 10.4 39 42 A D H >4>S+ 0 0 18 2,-0.2 5,-2.9 1,-0.2 3,-0.6 0.995 111.4 38.6 -66.0 -59.1 29.5 13.3 6.7 40 43 A P H >45S+ 0 0 3 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 0.876 113.3 57.8 -57.9 -35.8 26.1 15.1 7.1 41 44 A L H 3<5S+ 0 0 2 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.2 0.891 110.3 43.9 -58.5 -38.4 27.5 17.0 10.1 42 45 A M T <<5S- 0 0 53 -4,-1.8 -1,-0.3 -3,-0.6 -3,-0.1 0.321 126.3 -99.0 -92.1 8.7 30.3 18.4 7.9 43 46 A G T < 5S+ 0 0 59 -3,-1.4 -2,-0.1 -4,-0.3 -4,-0.1 0.708 81.8 131.2 82.2 21.7 28.0 19.2 5.0 44 47 A V < - 0 0 68 -5,-2.9 -1,-0.2 -6,-0.2 -2,-0.2 -0.929 50.7-139.6-107.5 110.3 28.7 16.1 2.9 45 48 A P - 0 0 50 0, 0.0 2,-0.7 0, 0.0 3,-0.2 -0.240 8.8-129.2 -66.8 162.3 25.4 14.5 1.8 46 49 A V + 0 0 7 144,-0.4 148,-0.2 1,-0.2 147,-0.1 -0.915 59.0 133.9-107.2 96.3 24.8 10.7 1.8 47 50 A D + 0 0 50 -2,-0.7 2,-0.8 1,-0.2 -1,-0.2 0.693 45.3 72.7-119.2 -32.0 23.5 10.5 -1.8 48 51 A D + 0 0 93 -3,-0.2 -1,-0.2 1,-0.1 0, 0.0 -0.796 46.3 169.1-101.0 103.1 25.3 7.6 -3.4 49 52 A L + 0 0 11 -2,-0.8 -1,-0.1 -3,-0.1 2,-0.0 0.113 31.7 131.3-101.4 17.4 23.9 4.3 -2.0 50 53 A S S > S- 0 0 35 1,-0.1 4,-2.5 4,-0.0 5,-0.2 -0.346 70.2-114.5 -68.0 155.5 25.6 2.1 -4.6 51 54 A A H > S+ 0 0 20 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.887 115.7 52.2 -55.5 -44.4 27.5 -1.0 -3.4 52 55 A E H > S+ 0 0 137 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.892 111.2 44.0 -64.0 -41.3 30.8 0.5 -4.6 53 56 A A H > S+ 0 0 27 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.903 115.9 47.7 -72.2 -39.6 30.4 3.9 -2.9 54 57 A L H X S+ 0 0 3 -4,-2.5 4,-2.8 1,-0.2 5,-0.4 0.889 113.6 47.0 -71.6 -38.8 29.3 2.3 0.4 55 58 A A H X>S+ 0 0 14 -4,-2.5 4,-2.0 -5,-0.2 5,-1.9 0.909 108.9 55.0 -64.5 -43.3 32.1 -0.3 0.4 56 59 A D H <>S+ 0 0 70 -4,-2.1 5,-2.0 -5,-0.2 -2,-0.2 0.943 119.4 33.4 -56.3 -45.5 34.6 2.4 -0.4 57 60 A K H <5S+ 0 0 10 -4,-2.1 6,-2.0 3,-0.2 -2,-0.2 0.967 126.7 34.2 -76.1 -56.1 33.5 4.4 2.6 58 61 A L H <5S+ 0 0 0 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.735 133.8 23.7 -78.8 -23.9 32.5 1.8 5.3 59 62 A V T ><5S+ 0 0 12 -4,-2.0 3,-1.1 -5,-0.4 -3,-0.2 0.806 128.4 32.7-101.5 -68.5 35.1 -0.8 4.3 60 63 A D T 3 > - 0 0 0 -2,-0.3 4,-2.8 -31,-0.2 3,-0.8 -0.300 61.4 -63.0-109.3-166.1 23.9 5.8 9.2 67 70 A X H 3>>S+ 0 0 7 59,-0.3 4,-2.8 1,-0.3 5,-0.6 0.886 129.5 47.3 -54.7 -48.3 20.9 3.6 8.3 68 71 A Y H 3>5S+ 0 0 5 1,-0.2 4,-1.0 38,-0.2 -1,-0.3 0.822 117.0 45.3 -62.8 -32.8 21.0 3.8 4.5 69 72 A E H <>5S+ 0 0 4 -3,-0.8 4,-2.7 3,-0.2 5,-0.2 0.924 117.1 42.6 -74.9 -50.1 24.7 3.1 4.5 70 73 A H H X5S+ 0 0 2 -4,-2.8 4,-2.5 2,-0.2 5,-0.3 0.952 122.0 37.3 -58.9 -56.3 24.7 0.2 7.0 71 74 A N H X5S+ 0 0 0 -4,-2.8 4,-1.7 -5,-0.3 -3,-0.2 0.836 115.3 57.7 -73.8 -27.7 21.6 -1.5 5.6 72 75 A G H XS+ 0 0 0 -4,-3.0 5,-2.5 1,-0.2 4,-0.6 0.919 110.3 50.7 -61.2 -41.6 23.7 -10.8 1.9 79 82 A A H ><5S+ 0 0 55 -4,-2.1 3,-1.2 1,-0.2 -1,-0.2 0.914 108.0 53.2 -63.4 -40.8 22.4 -10.8 -1.7 80 83 A E H 3<5S+ 0 0 147 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.855 107.4 52.6 -61.0 -34.6 25.8 -11.8 -3.0 81 84 A L H 3<5S- 0 0 21 -4,-1.8 -1,-0.3 -3,-0.1 -2,-0.2 0.549 128.3 -95.9 -78.4 -9.8 25.9 -14.7 -0.5 82 85 A G T <<5S+ 0 0 41 -3,-1.2 -3,-0.2 -4,-0.6 2,-0.2 0.520 79.9 131.9 107.1 6.3 22.5 -16.0 -1.7 83 86 A Y < - 0 0 7 -5,-2.5 2,-0.5 -6,-0.2 -1,-0.4 -0.566 58.2-122.1 -77.5 154.5 20.0 -14.5 0.7 84 87 A R E -F 113 0B 192 29,-2.5 29,-2.2 -2,-0.2 2,-0.4 -0.898 33.4-166.2 -93.9 129.5 17.0 -12.8 -0.8 85 88 A V E -F 112 0B 39 -2,-0.5 2,-0.4 27,-0.2 27,-0.2 -0.958 14.8-172.8-123.8 129.3 16.8 -9.2 0.4 86 89 A R E -F 111 0B 89 25,-2.2 25,-2.6 -2,-0.4 2,-0.5 -0.987 21.4-136.6-117.1 131.5 13.9 -6.7 0.2 87 90 A R E -F 110 0B 29 -2,-0.4 94,-2.7 94,-0.2 2,-0.3 -0.771 24.4-171.8 -92.2 129.7 14.6 -3.1 1.2 88 91 A L E -F 109 0B 0 21,-3.1 21,-1.4 -2,-0.5 2,-0.3 -0.779 14.1-137.0-117.4 159.0 11.9 -1.5 3.3 89 92 A A E +F 108 0B 5 90,-0.4 88,-1.6 88,-0.3 2,-0.3 -0.895 23.9 176.5-117.2 150.2 11.3 2.1 4.6 90 93 A G E -FG 107 176B 1 17,-2.2 17,-2.2 -2,-0.3 2,-0.4 -0.899 27.8-120.6-147.7 169.4 10.2 3.2 8.0 91 94 A R E - G 0 175B 70 84,-2.8 84,-2.5 -2,-0.3 2,-0.5 -0.961 30.4-125.4-117.2 131.5 9.5 6.2 10.3 92 95 A V E + G 0 174B 57 12,-0.6 82,-0.3 -2,-0.4 12,-0.1 -0.664 35.6 163.5 -85.7 127.3 11.4 6.7 13.5 93 96 A V > + 0 0 18 80,-2.0 3,-2.3 -2,-0.5 81,-0.2 0.196 14.8 155.7-125.7 15.1 9.3 7.1 16.6 94 97 A W T 3 S- 0 0 77 79,-1.1 79,-0.2 1,-0.3 -2,-0.0 -0.217 78.4 -6.0 -56.4 122.3 11.9 6.5 19.4 95 98 A L T 3 S+ 0 0 132 77,-0.6 -1,-0.3 1,-0.2 78,-0.1 0.304 102.4 133.5 73.0 -1.8 10.7 8.2 22.6 96 99 A A < - 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