==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 29-SEP-06 2IJA . COMPND 2 MOLECULE: ARYLAMINE N-ACETYLTRANSFERASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.TEMPEL,H.WU,L.DOMBROVSKI,P.LOPPNAU,J.WEIGELT,M.SUNDSTROM, . 292 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13188.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 24.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 2.1 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 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 19.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.4 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 1 0 0 0 1 2 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 3 2 0 2 3 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 . 1 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 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 -1 A S 0 0 143 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -37.3 56.9 16.2 32.4 2 0 A G + 0 0 74 1,-0.2 5,-0.0 2,-0.0 0, 0.0 0.470 360.0 151.9 85.5 5.5 54.7 18.6 34.4 3 1 A S > - 0 0 44 1,-0.1 4,-2.2 4,-0.0 -1,-0.2 -0.197 57.2-120.5 -70.2 157.9 54.5 21.0 31.5 4 2 A D H > S+ 0 0 90 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.899 113.9 53.7 -65.9 -39.7 51.5 23.2 30.9 5 3 A I H > S+ 0 0 14 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.912 109.4 48.8 -62.2 -40.3 50.8 21.6 27.5 6 4 A E H > S+ 0 0 79 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.891 109.2 52.4 -67.3 -36.9 50.8 18.2 29.1 7 5 A A H X S+ 0 0 28 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.899 110.7 48.6 -60.5 -42.8 48.4 19.5 31.8 8 6 A Y H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.923 111.5 48.8 -64.1 -44.9 46.0 20.8 29.0 9 7 A L H <>S+ 0 0 3 -4,-2.5 5,-2.6 1,-0.2 4,-0.4 0.895 110.3 51.2 -66.9 -37.0 46.2 17.5 27.2 10 8 A E H ><5S+ 0 0 157 -4,-2.4 3,-1.2 3,-0.2 -1,-0.2 0.909 106.8 55.6 -59.7 -45.3 45.4 15.6 30.4 11 9 A R H 3<5S+ 0 0 25 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.864 112.5 41.3 -55.8 -38.7 42.4 17.9 31.0 12 10 A I T 3<5S- 0 0 7 -4,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.376 113.2-116.9 -93.6 4.2 41.0 17.0 27.6 13 11 A G T < 5 + 0 0 37 -3,-1.2 2,-0.8 -4,-0.4 -3,-0.2 0.708 58.4 156.7 68.9 24.3 41.8 13.3 27.9 14 12 A Y < + 0 0 12 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.738 6.6 160.7 -90.3 107.4 44.2 13.4 24.9 15 13 A K + 0 0 196 -2,-0.8 -1,-0.1 -3,-0.1 2,-0.1 0.156 42.1 96.6-114.2 14.3 46.6 10.4 25.4 16 14 A K S S- 0 0 126 1,-0.2 2,-0.1 9,-0.1 -2,-0.0 -0.273 82.3 -76.8 -99.4-177.3 47.9 10.1 21.8 17 15 A S - 0 0 70 1,-0.1 -1,-0.2 -2,-0.1 3,-0.1 -0.465 28.9-170.7 -76.9 151.8 50.9 11.4 20.0 18 16 A R + 0 0 77 -2,-0.1 -1,-0.1 1,-0.1 -2,-0.0 0.037 57.4 104.5-127.1 27.5 51.1 15.0 18.9 19 17 A N + 0 0 115 1,-0.1 2,-0.6 2,-0.0 -1,-0.1 0.598 66.2 71.8 -88.5 -11.6 54.3 14.8 16.7 20 18 A K - 0 0 132 -3,-0.1 2,-1.7 2,-0.1 5,-0.2 -0.916 68.7-156.6-105.0 116.7 52.5 14.9 13.4 21 19 A L + 0 0 73 -2,-0.6 2,-0.2 4,-0.1 -2,-0.0 -0.464 50.8 126.1 -93.1 69.1 51.1 18.4 12.7 22 20 A D S > S- 0 0 53 -2,-1.7 4,-2.8 94,-0.1 5,-0.2 -0.591 77.9 -94.3-122.0 172.1 48.4 17.1 10.3 23 21 A L H > S+ 0 0 67 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.880 121.4 55.4 -57.2 -40.5 44.6 17.3 9.8 24 22 A E H > S+ 0 0 137 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.927 111.9 42.4 -58.0 -47.0 44.1 14.0 11.7 25 23 A T H > S+ 0 0 14 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.939 114.5 50.3 -69.6 -48.1 45.9 15.3 14.8 26 24 A L H X S+ 0 0 1 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.911 113.4 47.1 -51.6 -45.8 44.3 18.8 14.6 27 25 A T H X S+ 0 0 18 -4,-2.8 4,-2.9 -5,-0.2 -2,-0.2 0.925 109.9 52.5 -66.9 -44.3 40.9 17.1 14.3 28 26 A D H X S+ 0 0 22 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.921 110.9 47.2 -59.0 -41.3 41.6 14.7 17.2 29 27 A I H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.942 111.8 50.1 -67.4 -46.6 42.6 17.7 19.5 30 28 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.917 112.5 48.0 -53.1 -50.0 39.5 19.7 18.5 31 29 A Q H X S+ 0 0 47 -4,-2.9 4,-1.4 2,-0.2 -2,-0.2 0.915 110.7 49.7 -61.2 -45.2 37.3 16.7 19.3 32 30 A H H X S+ 0 0 25 -4,-2.6 4,-0.6 -5,-0.2 3,-0.4 0.939 112.7 48.8 -60.9 -45.8 38.9 16.0 22.6 33 31 A Q H >X S+ 0 0 0 -4,-2.9 4,-3.2 1,-0.2 3,-1.2 0.936 110.6 48.1 -61.5 -47.1 38.5 19.6 23.7 34 32 A I H 3< S+ 0 0 6 -4,-2.6 194,-2.1 1,-0.3 -1,-0.2 0.737 112.8 49.2 -69.6 -18.8 34.9 19.9 22.7 35 33 A R H 3< S+ 0 0 88 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.496 124.2 31.2 -90.4 -5.0 34.0 16.6 24.5 36 34 A A H << S+ 0 0 17 -3,-1.2 -2,-0.2 -4,-0.6 -3,-0.2 0.728 110.6 57.9-119.4 -39.0 35.8 17.8 27.7 37 35 A V S < S- 0 0 4 -4,-3.2 -1,-0.2 -5,-0.2 30,-0.2 -0.853 78.9-137.7-107.2 105.2 35.6 21.6 28.0 38 36 A P - 0 0 0 0, 0.0 30,-2.0 0, 0.0 2,-0.8 -0.232 11.0-125.3 -63.9 149.9 32.1 23.0 28.1 39 37 A F E +aB 68 226A 14 187,-2.0 187,-2.1 28,-0.2 2,-0.3 -0.867 59.9 145.0 -83.4 108.8 30.8 26.0 26.3 40 38 A E E - B 0 225A 1 28,-1.5 185,-0.2 -2,-0.8 183,-0.0 -0.974 50.0-166.8-150.9 158.6 29.4 27.8 29.3 41 39 A N >> + 0 0 0 183,-1.8 3,-1.1 -2,-0.3 4,-0.8 -0.042 46.8 129.8-134.0 27.0 28.8 31.2 31.0 42 40 A L T 34 + 0 0 1 182,-0.4 4,-0.4 1,-0.3 3,-0.2 0.760 62.5 69.3 -66.8 -24.6 27.9 30.1 34.5 43 41 A N T >4>S+ 0 0 10 1,-0.2 5,-2.5 2,-0.2 3,-1.4 0.922 96.0 55.6 -55.7 -41.1 30.4 32.5 36.2 44 42 A I G X45S+ 0 0 27 -3,-1.1 3,-1.0 1,-0.2 -1,-0.2 0.907 109.2 46.5 -56.2 -39.3 28.2 35.4 35.1 45 43 A H G 3<5S+ 0 0 19 -4,-0.8 237,-2.6 1,-0.2 -1,-0.2 0.339 108.7 54.9 -91.0 6.2 25.3 33.7 36.9 46 44 A C G < 5S- 0 0 19 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.197 121.8-103.9-112.3 5.2 27.3 33.1 40.0 47 45 A G T < 5S+ 0 0 70 -3,-1.0 2,-0.2 1,-0.3 -3,-0.2 0.545 83.3 121.5 81.7 9.6 28.3 36.8 40.3 48 46 A D < - 0 0 80 -5,-2.5 -1,-0.3 -6,-0.2 -2,-0.2 -0.597 61.6 -98.6-105.0 167.1 31.8 36.2 39.0 49 47 A A - 0 0 49 -2,-0.2 2,-0.8 -3,-0.1 -1,-0.1 -0.423 16.6-130.5 -83.3 155.0 33.9 37.6 36.0 50 48 A X - 0 0 3 158,-0.2 2,-0.2 -2,-0.1 162,-0.1 -0.914 35.6-149.4 -98.4 100.2 34.6 36.1 32.6 51 49 A D - 0 0 76 -2,-0.8 0, 0.0 1,-0.1 0, 0.0 -0.534 17.0-165.3 -78.2 141.3 38.4 36.6 32.5 52 50 A L + 0 0 18 -2,-0.2 2,-0.2 4,-0.0 -1,-0.1 0.652 56.3 100.5 -98.4 -20.3 40.1 37.1 29.1 53 51 A G S > S- 0 0 41 1,-0.1 4,-2.4 4,-0.0 5,-0.2 -0.433 72.0-131.0 -74.2 145.4 43.7 36.5 30.1 54 52 A L H > S+ 0 0 50 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.836 103.6 56.7 -66.1 -38.4 45.3 33.2 29.3 55 53 A E H > S+ 0 0 176 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.951 112.9 42.4 -59.6 -44.0 46.8 32.6 32.8 56 54 A A H > S+ 0 0 36 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.902 116.0 48.0 -70.0 -39.9 43.3 32.9 34.4 57 55 A I H X S+ 0 0 2 -4,-2.4 4,-3.1 2,-0.2 5,-0.4 0.931 110.8 51.0 -66.0 -46.9 41.6 30.8 31.6 58 56 A F H X>S+ 0 0 16 -4,-3.1 4,-2.4 2,-0.2 5,-0.9 0.942 112.5 47.9 -55.3 -46.5 44.2 28.0 31.8 59 57 A D H X>S+ 0 0 48 -4,-2.2 5,-1.9 -5,-0.3 4,-1.2 0.968 115.4 43.1 -59.9 -51.4 43.7 27.9 35.6 60 58 A Q H <5S+ 0 0 25 -4,-2.5 6,-2.1 3,-0.2 -2,-0.2 0.928 125.4 32.6 -66.2 -43.2 39.9 27.8 35.4 61 59 A V H X5S+ 0 0 2 -4,-3.1 4,-0.8 4,-0.2 -3,-0.2 0.972 129.5 32.7 -75.9 -53.6 39.7 25.3 32.5 62 60 A V H <5S+ 0 0 16 -4,-2.4 -3,-0.2 -5,-0.4 -2,-0.1 0.936 132.8 25.0 -75.9 -48.1 42.8 23.1 33.2 63 61 A R T <> - 0 0 3 -2,-0.3 4,-2.6 -30,-0.2 3,-1.6 -0.212 63.7 -81.7 -88.7-177.1 32.6 31.1 26.4 70 68 A C H 3> S+ 0 0 8 56,-0.3 4,-2.0 1,-0.3 5,-0.5 0.883 127.5 58.5 -61.3 -37.9 34.2 31.5 22.9 71 69 A L H 34 S+ 0 0 2 37,-0.2 -1,-0.3 1,-0.2 133,-0.1 0.707 117.8 34.6 -62.7 -21.5 36.7 34.2 24.0 72 70 A Q H <> S+ 0 0 3 -3,-1.6 4,-2.6 3,-0.1 3,-0.3 0.861 119.2 43.7 -96.6 -60.6 38.0 31.8 26.7 73 71 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -3,-0.2 0.865 118.5 44.5 -65.0 -31.0 37.8 28.3 25.1 74 72 A N H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.3 -1,-0.2 0.767 109.8 56.1 -82.5 -23.3 39.2 29.4 21.7 75 73 A H H > S+ 0 0 16 -5,-0.5 4,-2.4 -3,-0.3 -2,-0.2 0.954 112.8 42.6 -67.4 -46.1 41.9 31.5 23.4 76 74 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.917 114.6 49.4 -63.6 -48.2 43.0 28.3 25.3 77 75 A L H X S+ 0 0 0 -4,-2.2 4,-3.0 -5,-0.2 5,-0.3 0.936 110.3 52.2 -60.3 -44.1 42.7 26.2 22.1 78 76 A Y H X S+ 0 0 63 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.933 111.1 46.5 -52.7 -51.0 44.7 28.8 20.2 79 77 A W H X S+ 0 0 52 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.927 114.8 47.5 -59.7 -45.6 47.5 28.6 22.8 80 78 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.951 113.6 45.4 -65.2 -48.6 47.5 24.8 22.8 81 79 A L H X>S+ 0 0 0 -4,-3.0 5,-2.5 2,-0.2 4,-1.3 0.895 114.7 48.4 -61.2 -42.7 47.5 24.4 19.1 82 80 A T H <5S+ 0 0 54 -4,-2.3 3,-0.4 -5,-0.3 -2,-0.2 0.942 111.0 50.6 -64.0 -45.6 50.3 27.0 18.7 83 81 A T H <5S+ 0 0 69 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.899 107.3 53.8 -57.6 -43.5 52.4 25.4 21.4 84 82 A I H <5S- 0 0 13 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.775 128.4-100.1 -63.7 -29.0 52.0 22.0 19.8 85 83 A G T <5S+ 0 0 41 -4,-1.3 -3,-0.2 -3,-0.4 -2,-0.1 0.495 71.2 143.4 125.4 8.1 53.3 23.6 16.6 86 84 A F < - 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