==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-MAR-02 1GX3 . COMPND 2 MOLECULE: ARYLAMINE N-ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM SMEGMATIS; . AUTHOR J.SANDY,A.MUSHTAQ,A.KAWAMURA,J.SINCLAIR,E.SIM,M.NOBLE . 1098 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47465.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 757 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 263 24.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 20 1.8 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 . 1 0.1 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 . 84 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 249 22.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 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 8 0 1 7 5 1 2 0 0 5 4 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 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 . 2 10 6 2 8 9 5 4 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 0 0 3 1 0 0 2 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 0 A G 0 0 124 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 64.2 0.6 15.3 -2.6 2 1 A M - 0 0 126 1,-0.1 2,-0.3 2,-0.0 0, 0.0 -0.006 360.0-131.7 75.6-171.8 -0.2 15.2 1.1 3 2 A A - 0 0 82 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.837 39.7 -77.7-174.7 144.5 0.3 18.1 3.6 4 3 A M - 0 0 39 -2,-0.3 2,-2.0 1,-0.1 3,-0.2 -0.369 37.6-133.3 -62.5 126.9 1.9 18.0 7.0 5 4 A D > + 0 0 83 1,-0.2 4,-1.8 -2,-0.2 3,-0.3 -0.478 39.4 162.5 -77.8 68.8 -0.3 16.4 9.7 6 5 A L H > S+ 0 0 19 -2,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.875 71.9 53.6 -59.4 -43.1 0.3 19.1 12.3 7 6 A G H > S+ 0 0 14 -3,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.895 104.0 53.9 -59.9 -38.2 -2.7 18.1 14.3 8 7 A G H > S+ 0 0 17 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.894 110.8 48.0 -66.4 -36.7 -1.7 14.4 14.5 9 8 A Y H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.961 111.3 49.4 -67.5 -42.9 1.6 15.6 16.0 10 9 A L H <>S+ 0 0 2 -4,-2.5 5,-2.9 1,-0.2 -2,-0.2 0.931 111.1 50.6 -60.9 -41.6 -0.0 17.9 18.4 11 10 A T H ><5S+ 0 0 103 -4,-2.8 3,-1.7 1,-0.2 -1,-0.2 0.917 105.5 55.3 -57.1 -49.9 -2.3 15.1 19.4 12 11 A R H 3<5S+ 0 0 54 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.832 111.0 45.5 -54.2 -36.9 0.6 12.7 19.9 13 12 A I T 3<5S- 0 0 2 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.277 122.0-103.3 -97.0 15.4 2.2 15.1 22.4 14 13 A G T < 5S+ 0 0 65 -3,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.715 81.6 116.6 79.2 22.2 -1.0 15.9 24.3 15 14 A L < - 0 0 55 -5,-2.9 -1,-0.3 -6,-0.2 2,-0.3 -0.715 38.7-172.3-114.0 169.1 -1.8 19.3 22.8 16 15 A D + 0 0 146 -2,-0.3 -9,-0.0 -3,-0.1 2,-0.0 -0.916 43.2 39.8-151.2 179.0 -4.6 20.7 20.8 17 16 A G S S- 0 0 36 -2,-0.3 -7,-0.1 1,-0.1 -2,-0.1 -0.201 86.6 -75.7 69.1-169.3 -5.5 23.9 18.9 18 17 A R - 0 0 167 -8,-0.0 2,-0.1 -2,-0.0 -1,-0.1 -0.970 49.0-151.9-129.2 116.5 -3.1 25.9 16.8 19 18 A P - 0 0 46 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.384 20.4-100.9 -89.1 164.8 -0.7 28.1 18.6 20 19 A R - 0 0 183 -2,-0.1 2,-1.8 1,-0.1 5,-0.1 -0.475 39.4-112.5 -69.5 150.1 1.1 31.4 17.7 21 20 A P S S+ 0 0 48 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.617 75.4 120.6 -84.9 77.1 4.7 30.9 16.6 22 21 A D S > S- 0 0 42 -2,-1.8 4,-2.0 96,-0.1 3,-0.3 -0.808 79.1 -90.0-133.3-178.8 6.2 32.6 19.7 23 22 A L H > S+ 0 0 51 96,-0.4 4,-2.1 1,-0.3 5,-0.2 0.905 120.9 54.7 -64.4 -45.5 8.5 31.8 22.5 24 23 A G H > S+ 0 0 51 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.891 108.0 51.1 -52.1 -41.4 5.8 30.5 24.9 25 24 A T H > S+ 0 0 17 -3,-0.3 4,-2.7 2,-0.2 5,-0.3 0.919 105.5 54.7 -63.7 -43.4 4.7 28.1 22.2 26 25 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.936 109.5 48.1 -56.8 -44.8 8.3 26.8 21.8 27 26 A H H X S+ 0 0 73 -4,-2.1 4,-2.2 1,-0.2 5,-0.2 0.914 112.4 48.9 -59.9 -43.4 8.5 26.0 25.5 28 27 A A H X S+ 0 0 50 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.893 110.8 48.2 -66.2 -43.5 5.2 24.3 25.6 29 28 A I H X S+ 0 0 1 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.932 111.2 51.6 -65.4 -43.2 5.9 22.1 22.5 30 29 A V H X S+ 0 0 3 -4,-2.3 4,-2.9 -5,-0.3 -2,-0.2 0.958 112.0 45.4 -60.2 -47.4 9.3 21.1 24.0 31 30 A A H X S+ 0 0 9 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.900 115.2 47.6 -62.2 -42.1 7.8 20.0 27.4 32 31 A A H X S+ 0 0 0 -4,-2.0 4,-1.3 -5,-0.2 -1,-0.2 0.937 113.0 47.3 -68.4 -44.3 5.0 18.1 25.7 33 32 A H H >X S+ 0 0 1 -4,-3.0 4,-2.2 1,-0.2 3,-0.5 0.925 108.5 58.0 -58.6 -48.0 7.3 16.3 23.3 34 33 A N H 3< S+ 0 0 8 -4,-2.9 180,-1.8 -5,-0.2 -1,-0.2 0.878 114.4 35.5 -51.4 -46.5 9.7 15.5 26.3 35 34 A R H 3< S+ 0 0 101 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.694 121.7 45.9 -88.1 -11.5 7.0 13.7 28.2 36 35 A S H << S+ 0 0 32 -4,-1.3 -2,-0.2 -3,-0.5 -3,-0.2 0.728 105.6 44.1-103.2 -37.1 5.2 12.1 25.2 37 36 A I S < S- 0 0 4 -4,-2.2 -1,-0.2 -5,-0.2 31,-0.1 -0.957 79.1-142.0-118.9 116.5 7.6 10.5 22.7 38 37 A P - 0 0 4 0, 0.0 31,-1.5 0, 0.0 2,-0.5 -0.277 15.6-112.0 -76.7 152.8 10.3 8.5 24.3 39 38 A F E +aB 69 212A 12 173,-2.4 173,-2.5 29,-0.2 2,-0.3 -0.757 53.2 157.0 -72.2 134.7 13.9 8.2 23.3 40 39 A E E - B 0 211A 0 29,-2.0 171,-0.2 -2,-0.5 3,-0.1 -0.977 39.3-164.1-162.8 145.6 14.4 4.6 22.0 41 40 A N > + 0 0 0 169,-1.0 4,-2.4 -2,-0.3 5,-0.2 -0.093 45.9 129.0-119.7 32.6 16.8 2.7 19.7 42 41 A L H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 6,-0.2 0.885 71.3 57.0 -57.4 -36.2 14.8 -0.5 19.2 43 42 A D H 4>S+ 0 0 12 2,-0.2 5,-2.7 1,-0.2 3,-0.4 0.975 111.9 38.1 -61.5 -63.1 15.2 -0.3 15.4 44 43 A P H >45S+ 0 0 3 0, 0.0 3,-1.5 0, 0.0 -1,-0.2 0.892 113.7 57.2 -61.3 -34.0 19.0 -0.2 15.3 45 44 A L H 3<5S+ 0 0 5 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.898 111.4 44.8 -55.4 -41.5 19.2 -2.8 18.2 46 45 A L T 3<5S- 0 0 27 -4,-2.1 -1,-0.3 -3,-0.4 -3,-0.1 0.273 126.4 -98.5 -88.8 9.1 17.1 -5.1 16.0 47 46 A G T < 5S+ 0 0 62 -3,-1.5 -2,-0.1 1,-0.2 -4,-0.1 0.662 82.0 131.1 86.1 11.7 19.1 -4.5 12.8 48 47 A I < - 0 0 35 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.2 -0.894 52.3-136.5 -99.9 107.4 16.7 -2.0 11.3 49 48 A P - 0 0 51 0, 0.0 2,-0.8 0, 0.0 3,-0.2 -0.204 6.0-134.4 -58.6 152.8 18.6 1.0 10.0 50 49 A V + 0 0 7 144,-0.4 148,-0.2 1,-0.1 147,-0.1 -0.884 54.4 139.6-104.2 93.8 17.4 4.6 10.6 51 50 A A + 0 0 45 -2,-0.8 2,-0.6 1,-0.2 144,-0.2 0.690 44.2 67.7-113.0 -29.9 18.0 5.8 7.1 52 51 A D + 0 0 85 -3,-0.2 -1,-0.2 1,-0.1 0, 0.0 -0.881 44.7 173.4-111.1 114.2 15.2 8.0 6.0 53 52 A L + 0 0 6 -2,-0.6 -1,-0.1 4,-0.1 2,-0.1 0.060 36.2 132.2-108.8 22.2 14.8 11.4 7.8 54 53 A S S > S- 0 0 10 1,-0.1 4,-2.3 4,-0.0 5,-0.2 -0.325 71.1-115.0 -65.0 156.1 12.1 12.7 5.7 55 54 A A H > S+ 0 0 15 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.919 116.8 55.2 -59.8 -42.6 9.0 14.2 7.2 56 55 A E H > S+ 0 0 99 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.929 111.4 42.8 -57.6 -46.9 6.9 11.4 5.8 57 56 A A H > S+ 0 0 27 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.871 114.8 48.2 -65.0 -46.2 9.1 8.7 7.4 58 57 A L H X S+ 0 0 3 -4,-2.3 4,-2.4 2,-0.2 5,-0.5 0.900 113.5 47.2 -66.7 -42.3 9.4 10.5 10.8 59 58 A F H X>S+ 0 0 15 -4,-2.8 5,-2.3 -5,-0.2 4,-1.5 0.907 109.1 55.4 -62.3 -40.7 5.7 11.1 11.1 60 59 A A H <5S+ 0 0 35 -4,-2.1 5,-0.4 -5,-0.3 -2,-0.2 0.913 119.2 31.1 -61.0 -43.1 4.9 7.6 10.1 61 60 A K H <5S+ 0 0 8 -4,-1.8 6,-1.1 3,-0.2 4,-0.4 0.955 128.2 32.3 -82.9 -53.9 7.0 6.1 12.9 62 61 A L H <5S+ 0 0 0 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.1 0.703 132.9 26.6 -79.8 -26.0 7.0 8.6 15.8 63 62 A V T ><5S+ 0 0 16 -4,-1.5 3,-0.5 -5,-0.5 -3,-0.2 0.845 127.7 34.3-102.3 -60.1 3.4 9.9 15.3 64 63 A D T 3 - 0 0 1 -2,-0.3 4,-2.7 -31,-0.2 3,-0.4 -0.204 61.2 -66.4 -99.2-167.6 16.7 8.5 18.7 71 70 A C H > S+ 0 0 12 1,-0.2 4,-2.4 2,-0.2 5,-0.5 0.883 128.9 48.1 -53.8 -49.2 18.2 12.0 18.1 72 71 A Y H > S+ 0 0 4 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.860 117.1 45.4 -61.0 -32.0 17.9 12.3 14.3 73 72 A E H > S+ 0 0 7 -3,-0.4 4,-2.7 3,-0.2 -2,-0.2 0.953 116.1 44.5 -77.4 -50.0 14.3 11.1 14.5 74 73 A H H X S+ 0 0 3 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.957 122.3 35.3 -53.9 -63.3 13.3 13.4 17.5 75 74 A N H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.831 116.0 57.0 -69.0 -33.4 14.9 16.6 16.3 76 75 A G H X S+ 0 0 7 -4,-1.3 4,-2.1 -5,-0.5 -2,-0.2 0.970 112.0 42.1 -54.0 -55.1 14.1 15.7 12.7 77 76 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 3,-0.3 0.949 116.1 47.2 -57.8 -55.5 10.4 15.5 13.6 78 77 A L H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 5,-0.2 0.898 108.4 57.1 -59.4 -38.2 10.3 18.6 15.8 79 78 A G H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.902 108.9 45.1 -57.7 -47.5 12.2 20.6 13.1 80 79 A Y H X S+ 0 0 39 -4,-2.1 4,-2.2 -3,-0.3 -1,-0.2 0.931 114.5 49.1 -60.7 -48.7 9.5 19.9 10.5 81 80 A V H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.926 110.9 49.1 -58.3 -47.5 6.7 20.7 13.0 82 81 A L H X>S+ 0 0 0 -4,-3.1 5,-2.5 1,-0.2 4,-0.8 0.888 110.8 50.2 -62.5 -45.0 8.4 24.0 14.1 83 82 A E H ><5S+ 0 0 86 -4,-2.2 3,-0.9 -5,-0.2 -1,-0.2 0.907 107.7 54.1 -58.4 -42.9 8.9 25.1 10.4 84 83 A E H 3<5S+ 0 0 108 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.869 108.1 51.5 -61.3 -33.8 5.2 24.3 9.7 85 84 A L H 3<5S- 0 0 20 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.561 127.5 -94.0 -78.4 -16.3 4.2 26.6 12.6 86 85 A G T <<5S+ 0 0 43 -3,-0.9 2,-0.2 -4,-0.8 -3,-0.2 0.463 82.2 127.2 115.0 -0.4 6.2 29.5 11.5 87 86 A F < - 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