==== 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 02-NOV-07 2VFB . COMPND 2 MOLECULE: ARYLAMINE N-ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM MARINUM; . AUTHOR E.FULLAM,I.M.WESTWOOD,M.C.ANDERTON,E.D.LOWE,E.SIM, M.E.M.NOB . 272 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12731.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 191 70.2 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 . 23 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 25.4 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 0 1 1 0 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 0 151 0, 0.0 4,-1.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 17.1 33.9 -6.8 -2.9 2 5 A L H > + 0 0 46 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.841 360.0 50.3 -66.0 -45.0 33.0 -9.6 -0.5 3 6 A T H > S+ 0 0 119 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.917 108.2 54.9 -63.0 -44.4 36.3 -10.7 1.1 4 7 A G H > S+ 0 0 30 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.861 110.9 45.9 -52.3 -40.3 37.2 -7.2 1.9 5 8 A Y H X S+ 0 0 4 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.923 110.3 52.0 -71.4 -46.1 33.9 -6.8 3.8 6 9 A L H <>S+ 0 0 29 -4,-2.5 5,-2.8 1,-0.2 -2,-0.2 0.889 112.7 46.7 -58.8 -42.0 34.3 -10.2 5.6 7 10 A D H ><5S+ 0 0 116 -4,-3.0 3,-1.5 3,-0.2 -1,-0.2 0.929 108.5 55.2 -63.1 -44.4 37.8 -9.1 6.8 8 11 A R H 3<5S+ 0 0 40 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.836 113.7 40.1 -59.8 -34.3 36.6 -5.6 7.8 9 12 A I T 3<5S- 0 0 5 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.398 111.3-125.6 -93.2 7.7 33.9 -7.2 10.1 10 13 A N T < 5 + 0 0 127 -3,-1.5 2,-0.4 1,-0.2 -3,-0.2 0.862 50.7 163.4 43.5 51.5 36.4 -9.8 11.2 11 14 A Y < + 0 0 23 -5,-2.8 -1,-0.2 -6,-0.1 -2,-0.1 -0.814 16.2 171.9 -94.8 133.8 34.1 -12.7 10.2 12 15 A R + 0 0 249 -2,-0.4 -1,-0.1 -5,-0.0 3,-0.1 0.744 42.8 117.2-128.0 -14.9 35.8 -16.1 9.8 13 16 A G S S- 0 0 48 1,-0.2 -2,-0.1 -3,-0.0 2,-0.1 0.697 71.7 -69.9 108.8 119.5 33.0 -17.9 9.4 14 17 A A - 0 0 59 1,-0.1 -1,-0.2 2,-0.0 -2,-0.0 -0.345 36.2-150.4 -66.1 161.4 31.0 -20.2 7.1 15 18 A T + 0 0 66 -3,-0.1 -1,-0.1 -2,-0.1 0, 0.0 0.410 48.1 121.3-124.9 4.1 29.4 -18.5 4.1 16 19 A D S S- 0 0 98 1,-0.1 2,-2.5 66,-0.0 5,-0.2 -0.347 75.8-102.1 -67.0 147.1 26.2 -20.4 3.2 17 20 A P S S+ 0 0 31 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.405 75.5 131.3 -71.1 77.2 22.8 -18.6 3.2 18 21 A T S > S- 0 0 56 -2,-2.5 4,-1.9 96,-0.1 5,-0.1 -0.730 70.6-110.8-120.0 172.2 21.7 -20.0 6.6 19 22 A L H > S+ 0 0 27 -2,-0.2 4,-2.1 2,-0.2 5,-0.2 0.838 116.6 53.5 -69.7 -38.2 20.2 -18.6 9.8 20 23 A D H > S+ 0 0 93 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.920 110.6 45.6 -60.8 -45.0 23.3 -19.3 11.8 21 24 A V H > S+ 0 0 6 2,-0.2 4,-2.9 -5,-0.2 5,-0.2 0.890 110.1 56.1 -66.5 -38.7 25.5 -17.4 9.3 22 25 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.920 108.9 46.2 -61.1 -47.3 22.9 -14.6 9.3 23 26 A R H X S+ 0 0 109 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.933 113.5 48.9 -56.1 -49.6 23.2 -14.2 13.0 24 27 A D H X S+ 0 0 77 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.890 111.8 49.1 -62.5 -38.2 27.0 -14.4 12.9 25 28 A L H X S+ 0 0 1 -4,-2.9 4,-3.0 2,-0.2 5,-0.2 0.942 111.5 48.7 -64.8 -47.9 27.2 -11.7 10.1 26 29 A V H X S+ 0 0 1 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.906 113.8 46.2 -59.3 -41.7 24.9 -9.4 12.0 27 30 A S H X S+ 0 0 60 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.946 115.7 46.3 -65.4 -47.0 26.9 -9.7 15.3 28 31 A A H X S+ 0 0 20 -4,-2.4 4,-0.9 -5,-0.2 -2,-0.2 0.917 114.0 48.0 -59.4 -46.5 30.2 -9.2 13.4 29 32 A H H >X S+ 0 0 0 -4,-3.0 4,-3.0 1,-0.2 3,-1.1 0.958 114.4 44.7 -61.9 -52.2 28.9 -6.2 11.5 30 33 A T H 3< S+ 0 0 10 -4,-2.3 180,-0.9 1,-0.3 -1,-0.2 0.783 114.1 51.2 -64.1 -29.0 27.4 -4.5 14.5 31 34 A G H 3< S+ 0 0 45 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.636 121.0 32.4 -78.2 -17.5 30.6 -5.2 16.5 32 35 A A H << S+ 0 0 24 -3,-1.1 2,-0.7 -4,-0.9 -2,-0.2 0.778 107.7 56.1-115.1 -39.0 32.8 -3.8 13.8 33 36 A I S < S- 0 0 5 -4,-3.0 -1,-0.2 -5,-0.2 31,-0.1 -0.885 73.7-139.4-114.6 108.8 31.3 -0.9 11.9 34 37 A A - 0 0 2 -2,-0.7 31,-1.7 216,-0.5 2,-0.4 -0.133 12.3-121.2 -58.9 153.6 30.1 2.1 13.9 35 38 A F E +aB 65 208A 19 173,-2.8 173,-1.9 29,-0.2 2,-0.3 -0.817 51.1 149.3 -83.5 136.8 27.0 4.2 13.3 36 39 A E E - B 0 207A 0 29,-1.5 171,-0.2 -2,-0.4 3,-0.1 -0.943 43.6-153.8-166.9 152.4 28.0 7.8 12.7 37 40 A N > + 0 0 1 169,-0.9 4,-2.6 -2,-0.3 5,-0.2 -0.217 48.4 131.9-121.4 37.1 26.9 10.9 10.8 38 41 A L H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 6,-0.2 0.857 72.2 57.1 -60.5 -32.8 30.2 12.7 10.3 39 42 A D H >4>S+ 0 0 20 2,-0.2 5,-2.8 1,-0.2 3,-0.7 0.996 111.6 37.8 -61.6 -64.7 29.3 13.1 6.6 40 43 A P H >45S+ 0 0 3 0, 0.0 3,-1.4 0, 0.0 -2,-0.2 0.865 115.1 56.2 -54.2 -36.1 26.0 15.0 7.1 41 44 A L H 3<5S+ 0 0 1 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.873 109.6 45.8 -63.7 -35.3 27.5 16.9 10.1 42 45 A M T <<5S- 0 0 54 -4,-1.9 -1,-0.3 -3,-0.7 -3,-0.1 0.292 126.3 -99.8 -91.7 7.7 30.4 18.1 8.0 43 46 A G T < 5S+ 0 0 63 -3,-1.4 -2,-0.1 -4,-0.3 -4,-0.1 0.727 81.9 132.2 85.8 20.9 28.0 19.1 5.1 44 47 A V < - 0 0 67 -5,-2.8 -1,-0.3 -6,-0.2 -2,-0.2 -0.934 50.4-137.5-109.6 113.5 28.7 16.1 3.0 45 48 A P - 0 0 51 0, 0.0 2,-0.8 0, 0.0 3,-0.1 -0.238 8.6-130.2 -68.0 156.1 25.4 14.4 1.8 46 49 A V + 0 0 6 144,-0.4 148,-0.2 1,-0.1 149,-0.1 -0.890 56.0 139.1-101.1 94.3 24.8 10.6 1.7 47 50 A D + 0 0 53 -2,-0.8 2,-0.6 1,-0.2 -1,-0.1 0.412 44.1 69.9-121.8 -6.9 23.6 10.5 -1.9 48 51 A D + 0 0 86 -3,-0.1 -1,-0.2 1,-0.1 0, 0.0 -0.894 44.0 169.5-123.0 105.6 25.1 7.4 -3.4 49 52 A L + 0 0 8 -2,-0.6 -1,-0.1 4,-0.1 -3,-0.0 0.213 34.7 127.1-100.1 15.3 23.7 4.1 -2.2 50 53 A S S > S- 0 0 17 1,-0.1 4,-2.1 4,-0.0 5,-0.2 -0.337 73.4-110.7 -67.5 157.0 25.3 1.8 -4.7 51 54 A A H > S+ 0 0 31 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.876 116.0 51.8 -51.3 -46.8 27.3 -1.2 -3.6 52 55 A E H > S+ 0 0 122 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.918 111.3 44.4 -58.4 -49.4 30.7 0.4 -4.8 53 56 A A H > S+ 0 0 28 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.880 115.4 47.4 -70.0 -33.6 30.2 3.7 -3.0 54 57 A L H X S+ 0 0 4 -4,-2.1 4,-2.8 2,-0.2 5,-0.4 0.900 114.4 46.4 -77.2 -39.7 29.1 2.1 0.3 55 58 A A H X>S+ 0 0 6 -4,-2.4 4,-2.1 -5,-0.2 5,-2.0 0.923 109.4 55.4 -60.8 -47.4 31.9 -0.5 0.3 56 59 A D H <>S+ 0 0 70 -4,-2.9 5,-2.3 -5,-0.2 -2,-0.2 0.948 119.6 32.5 -50.5 -48.5 34.5 2.2 -0.6 57 60 A K H <5S+ 0 0 9 -4,-1.9 6,-2.0 3,-0.2 -2,-0.2 0.977 127.4 33.6 -77.8 -55.9 33.3 4.2 2.5 58 61 A L H <5S+ 0 0 0 -4,-2.8 -3,-0.2 4,-0.2 -2,-0.2 0.752 134.8 22.7 -77.0 -25.0 32.3 1.6 5.1 59 62 A V T ><5S+ 0 0 11 -4,-2.1 3,-0.9 -5,-0.4 -3,-0.2 0.827 128.7 33.3 -99.7 -68.4 34.9 -1.0 4.1 60 63 A D T 3 > - 0 0 2 -2,-0.3 4,-2.5 -31,-0.2 3,-0.8 -0.322 60.9 -61.7-109.7-162.7 24.0 5.7 9.2 67 70 A C H 3>>S+ 0 0 10 59,-0.3 4,-2.5 1,-0.3 5,-0.6 0.856 130.0 45.2 -55.6 -48.1 20.9 3.6 8.3 68 71 A Y H 3>5S+ 0 0 5 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.796 117.4 46.5 -64.0 -30.5 21.0 3.8 4.5 69 72 A E H <>5S+ 0 0 5 -3,-0.8 4,-2.7 3,-0.2 -2,-0.2 0.913 116.6 43.4 -77.2 -45.1 24.7 3.1 4.4 70 73 A H H X5S+ 0 0 2 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.937 122.1 35.0 -67.0 -54.7 24.6 0.1 6.9 71 74 A N H X5S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.2 -3,-0.2 0.817 116.2 58.8 -76.7 -29.9 21.6 -1.7 5.6 72 75 A G H XS+ 0 0 0 -4,-3.1 5,-2.3 1,-0.2 4,-0.9 0.918 110.7 51.5 -64.4 -42.0 23.5 -10.9 1.9 79 82 A A H ><5S+ 0 0 56 -4,-2.2 3,-1.2 1,-0.2 -1,-0.2 0.935 107.8 53.3 -56.0 -45.8 22.2 -10.9 -1.7 80 83 A E H 3<5S+ 0 0 145 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.841 106.6 54.2 -60.1 -32.6 25.7 -11.9 -3.0 81 84 A L H 3<5S- 0 0 20 -4,-1.8 -1,-0.3 -3,-0.1 -2,-0.2 0.632 128.2 -94.6 -75.8 -17.1 25.6 -14.8 -0.5 82 85 A G T <<5S+ 0 0 41 -3,-1.2 2,-0.3 -4,-0.9 -3,-0.2 0.606 82.0 131.2 110.1 13.3 22.3 -16.2 -1.8 83 86 A Y < - 0 0 8 -5,-2.3 2,-0.5 -6,-0.2 -1,-0.4 -0.676 58.3-125.0 -82.3 151.8 19.8 -14.5 0.7 84 87 A R E -F 113 0B 193 29,-2.8 29,-2.3 -2,-0.3 2,-0.5 -0.904 31.6-166.2 -96.0 130.2 16.8 -12.8 -0.8 85 88 A V E -F 112 0B 36 -2,-0.5 2,-0.4 27,-0.2 27,-0.2 -0.957 14.1-171.9-123.9 127.6 16.7 -9.3 0.4 86 89 A R E -F 111 0B 92 25,-2.5 25,-2.7 -2,-0.5 2,-0.4 -0.984 21.1-137.2-114.6 129.0 13.8 -6.8 0.2 87 90 A R E -F 110 0B 33 -2,-0.4 94,-2.7 23,-0.2 2,-0.3 -0.704 25.0-173.1 -90.1 129.3 14.5 -3.1 1.2 88 91 A L E -F 109 0B 0 21,-3.1 21,-1.3 -2,-0.4 2,-0.3 -0.766 14.2-136.8-120.4 160.1 11.8 -1.5 3.3 89 92 A A E +F 108 0B 6 88,-0.4 88,-1.4 90,-0.4 2,-0.3 -0.930 23.4 179.2-120.7 151.1 11.3 2.0 4.6 90 93 A G E -FG 107 176B 1 17,-2.5 17,-2.2 -2,-0.3 2,-0.4 -0.881 26.9-122.7-147.3 167.6 10.2 3.2 8.0 91 94 A R E - G 0 175B 78 84,-2.6 84,-2.5 -2,-0.3 2,-0.4 -0.982 30.6-124.4-118.3 128.4 9.4 6.1 10.2 92 95 A V E + G 0 174B 48 12,-0.6 82,-0.3 -2,-0.4 81,-0.1 -0.599 32.1 168.8 -79.3 124.8 11.3 6.6 13.5 93 96 A V > + 0 0 16 80,-1.8 3,-1.7 -2,-0.4 81,-0.2 0.154 17.7 157.6-118.4 14.6 9.1 6.9 16.6 94 97 A W T 3 S- 0 0 102 79,-1.2 79,-0.2 1,-0.3 -2,-0.0 -0.180 77.2 -11.2 -44.5 119.1 11.8 6.6 19.3 95 98 A L T 3 S+ 0 0 114 77,-0.6 -1,-0.3 1,-0.2 78,-0.1 0.265 102.5 136.2 68.7 -7.9 10.6 8.2 22.6 96 99 A A < - 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0 0 17 -2,-0.3 3,-2.4 -31,-0.2 -31,-0.1 -0.969 45.6 -59.5-155.6 166.7 17.1 -17.8 2.6 115 118 A P T 3 S+ 0 0 91 0, 0.0 -32,-0.0 0, 0.0 0, 0.0 -0.294 123.6 6.3 -55.1 120.2 17.0 -21.5 1.5 116 119 A G T 3 S+ 0 0 73 1,-0.3 2,-0.1 -98,-0.1 -98,-0.0 0.574 90.8 155.5 83.6 10.0 15.0 -23.5 4.2 117 120 A C < - 0 0 35 -3,-2.4 -1,-0.3 1,-0.1 -4,-0.0 -0.393 45.0-139.2 -68.0 152.4 14.0 -20.4 6.1 118 121 A Q S S- 0 0 129 1,-0.3 -1,-0.1 -2,-0.1 -5,-0.0 0.555 74.8 -38.3 -92.1 -8.4 10.9 -20.7 8.2 119 122 A G S S- 0 0 27 -5,-0.1 -1,-0.3 -7,-0.1 -5,-0.2 -0.895 89.1 -48.3 162.4 177.7 9.6 -17.3 7.3 120 123 A P - 0 0 62 0, 0.0 18,-2.7 0, 0.0 2,-0.4 -0.334 47.2-147.1 -75.8 152.6 11.2 -13.8 6.7 121 124 A Y E -HI 112 137B 13 -9,-2.5 -9,-3.6 16,-0.2 2,-0.5 -0.952 10.5-130.5-118.3 142.7 13.6 -12.1 9.0 122 125 A L E -HI 111 136B 0 14,-3.3 14,-2.8 -2,-0.4 2,-0.5 -0.782 24.2-171.5 -85.9 126.4 14.1 -8.4 9.8 123 126 A V E +H 110 0B 0 -13,-2.3 -13,-2.3 -2,-0.5 2,-0.3 -0.989 14.3 160.7-119.8 129.7 17.6 -7.3 9.6 124 127 A D + 0 0 0 -2,-0.5 3,-0.2 8,-0.3 10,-0.2 -0.793 12.3 155.5-151.7 101.6 18.6 -3.8 10.8 125 128 A V S S+ 0 0 7 -2,-0.3 6,-0.1 -58,-0.1 3,-0.1 0.112 71.0 68.8-109.2 14.9 22.2 -3.0 11.6 126 129 A G + 0 0 0 -18,-0.2 2,-0.8 1,-0.1 -59,-0.3 0.298 60.7 94.7-118.5 5.6 21.6 0.7 10.9 127 130 A F S > S- 0 0 27 1,-0.3 3,-1.8 -3,-0.2 4,-0.1 -0.294 76.4-147.1 -94.0 46.9 19.3 2.1 13.7 128 131 A G G > S+ 0 0 9 -2,-0.8 3,-1.8 1,-0.3 -1,-0.3 0.191 71.5 20.3 19.0-106.4 22.4 3.2 15.7 129 132 A G G 3 S+ 0 0 23 1,-0.3 -1,-0.3 -3,-0.1 80,-0.1 0.714 137.5 29.7 -64.9 -22.2 22.1 3.1 19.4 130 133 A M G < S+ 0 0 13 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.064 81.6 142.1-122.8 27.0 19.2 0.7 19.6 131 134 A T < - 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