==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 02-MAY-07 2PQT . 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, . 295 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13264.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 198 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 24.7 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 2.0 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 . 22 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 59 20.0 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 2 3 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 -4 A G 0 0 119 0, 0.0 7,-0.4 0, 0.0 6,-0.3 0.000 360.0 360.0 360.0-161.5 4.3 16.9 4.6 2 -3 A S + 0 0 103 4,-0.1 3,-0.1 5,-0.1 2,-0.0 0.167 360.0 79.3-129.0 12.1 7.0 14.3 5.3 3 -2 A G S > S- 0 0 43 1,-0.3 3,-1.9 5,-0.0 6,-0.3 0.124 91.4 -14.5-101.9-145.1 10.1 16.4 6.2 4 -1 A S T 3 S+ 0 0 119 1,-0.3 -1,-0.3 5,-0.1 3,-0.1 -0.390 131.4 14.1 -66.4 128.5 11.2 18.2 9.4 5 0 A G T 3 S+ 0 0 68 1,-0.3 -1,-0.3 -2,-0.2 2,-0.0 0.322 96.8 137.1 90.9 -4.3 8.4 18.6 12.0 6 1 A S <> - 0 0 13 -3,-1.9 4,-2.0 1,-0.1 -1,-0.3 -0.278 64.4-121.6 -79.1 159.4 6.2 16.1 10.2 7 2 A D H > S+ 0 0 74 -6,-0.3 4,-2.5 2,-0.2 5,-0.2 0.928 112.5 53.6 -64.7 -42.5 4.1 13.4 11.9 8 3 A I H > S+ 0 0 15 -7,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.903 108.7 50.2 -63.4 -40.5 5.7 10.6 10.0 9 4 A E H > S+ 0 0 92 -6,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.915 111.6 48.3 -53.9 -48.6 9.2 11.8 11.1 10 5 A A H X S+ 0 0 33 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.864 109.2 53.9 -64.0 -38.2 7.9 11.9 14.8 11 6 A Y H X S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.945 110.8 45.2 -60.2 -51.3 6.5 8.4 14.4 12 7 A F H X>S+ 0 0 34 -4,-2.2 5,-2.3 1,-0.2 4,-0.5 0.875 112.3 51.5 -64.4 -38.5 9.9 7.0 13.2 13 8 A E H ><5S+ 0 0 98 -4,-2.3 3,-1.2 3,-0.2 -1,-0.2 0.932 107.7 54.1 -58.0 -45.7 11.7 8.9 16.0 14 9 A R H 3<5S+ 0 0 21 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.827 113.2 41.0 -59.0 -36.9 9.2 7.3 18.5 15 10 A I H 3<5S- 0 0 6 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.375 112.5-118.3 -95.1 2.0 10.0 3.8 17.3 16 11 A G T <<5 + 0 0 44 -3,-1.2 2,-0.9 -4,-0.5 -3,-0.2 0.796 59.2 153.7 68.5 31.3 13.8 4.5 17.0 17 12 A Y < + 0 0 23 -5,-2.3 -1,-0.2 1,-0.2 -2,-0.1 -0.841 6.9 157.1 -99.6 103.2 13.8 3.7 13.3 18 13 A K + 0 0 143 -2,-0.9 -1,-0.2 -3,-0.1 -5,-0.1 0.411 36.3 111.8-106.1 -7.9 16.7 5.7 11.9 19 14 A K - 0 0 70 1,-0.1 -2,-0.0 12,-0.0 3,-0.0 -0.244 41.2-174.1 -67.0 155.7 17.3 3.6 8.8 20 15 A S + 0 0 94 1,-0.0 -1,-0.1 2,-0.0 -2,-0.0 -0.461 23.9 150.8-148.7 70.6 16.6 5.0 5.3 21 16 A R - 0 0 66 2,-0.1 3,-0.1 7,-0.0 7,-0.0 0.673 49.6-140.0 -71.5 -20.1 17.1 2.1 2.9 22 17 A N + 0 0 158 1,-0.2 2,-0.3 -3,-0.0 -2,-0.0 0.884 58.0 118.2 61.9 46.6 14.4 3.8 0.7 23 18 A K - 0 0 119 2,-0.1 2,-1.2 3,-0.0 -1,-0.2 -0.998 60.5-143.3-141.2 135.8 12.6 0.6 -0.4 24 19 A L + 0 0 82 -2,-0.3 2,-0.2 4,-0.1 64,-0.0 -0.643 62.6 124.6 -94.7 71.9 8.9 -0.5 0.1 25 20 A D S > S- 0 0 42 -2,-1.2 4,-2.4 94,-0.1 5,-0.2 -0.682 80.2 -90.9-124.8 179.9 9.9 -4.1 0.5 26 21 A L H > S+ 0 0 64 1,-0.2 4,-2.8 -2,-0.2 5,-0.2 0.861 122.7 57.8 -63.6 -37.5 9.5 -6.9 3.0 27 22 A E H > S+ 0 0 101 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.942 110.7 42.4 -54.8 -51.1 12.8 -6.0 4.7 28 23 A T H > S+ 0 0 8 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.920 113.7 51.2 -64.1 -45.0 11.5 -2.4 5.4 29 24 A L H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.941 112.9 46.9 -56.6 -49.5 8.0 -3.7 6.5 30 25 A T H X S+ 0 0 16 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.926 110.3 52.3 -56.5 -51.8 9.7 -6.1 8.9 31 26 A D H X S+ 0 0 34 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.893 111.6 46.6 -49.1 -48.6 12.1 -3.4 10.3 32 27 A I H X S+ 0 0 2 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.931 112.7 48.7 -65.4 -48.2 9.2 -1.1 11.0 33 28 A L H X S+ 0 0 1 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.942 114.8 45.9 -54.0 -51.9 7.1 -3.9 12.7 34 29 A Q H X S+ 0 0 47 -4,-2.9 4,-1.4 2,-0.2 -2,-0.2 0.914 113.0 49.5 -61.3 -45.0 10.1 -4.9 14.8 35 30 A H H X S+ 0 0 39 -4,-2.8 4,-0.9 -5,-0.2 3,-0.4 0.943 112.5 48.1 -61.3 -45.2 10.9 -1.3 15.8 36 31 A Q H >X S+ 0 0 1 -4,-3.0 4,-3.3 1,-0.2 3,-0.9 0.925 110.3 49.3 -61.6 -43.9 7.3 -0.6 16.7 37 32 A I H 3< S+ 0 0 8 -4,-2.5 194,-2.1 1,-0.3 -1,-0.2 0.733 112.4 49.9 -74.3 -18.8 6.9 -3.8 18.9 38 33 A R H 3< S+ 0 0 90 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.598 124.4 28.0 -84.0 -16.9 10.1 -3.0 20.8 39 34 A A H << S+ 0 0 21 -4,-0.9 -2,-0.2 -3,-0.9 -3,-0.2 0.736 112.2 60.0-113.0 -38.7 9.1 0.7 21.5 40 35 A V S < S- 0 0 4 -4,-3.3 -1,-0.2 -5,-0.2 30,-0.2 -0.865 77.6-141.0-107.3 103.4 5.3 0.8 21.6 41 36 A P - 0 0 0 0, 0.0 30,-2.4 0, 0.0 2,-0.7 -0.275 13.1-125.0 -64.5 144.7 3.7 -1.4 24.4 42 37 A F E +aB 71 229A 5 187,-2.0 187,-2.6 28,-0.2 2,-0.3 -0.873 60.2 144.7 -74.9 115.9 0.6 -3.4 24.1 43 38 A E E - B 0 228A 2 28,-1.3 185,-0.2 -2,-0.7 183,-0.0 -0.984 50.3-164.2-157.9 159.5 -1.2 -1.9 27.1 44 39 A N >> + 0 0 0 183,-1.6 3,-1.0 -2,-0.3 4,-0.7 -0.090 46.7 131.2-133.9 28.4 -4.6 -0.8 28.6 45 40 A L G >4 + 0 0 0 182,-0.3 3,-0.5 1,-0.2 4,-0.3 0.790 62.6 69.0 -64.3 -25.9 -3.4 1.3 31.5 46 41 A N G >4>S+ 0 0 16 1,-0.2 5,-2.8 2,-0.2 3,-1.6 0.898 95.1 56.4 -52.9 -44.2 -5.7 4.2 30.6 47 42 A I G X45S+ 0 0 27 -3,-1.0 3,-0.9 1,-0.3 -1,-0.2 0.876 108.8 46.7 -54.9 -39.9 -8.8 2.1 31.6 48 43 A H G <<5S+ 0 0 19 -4,-0.7 237,-2.7 -3,-0.5 -1,-0.3 0.271 107.0 56.3 -94.4 5.6 -7.3 1.6 35.1 49 44 A C G < 5S- 0 0 10 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.223 123.0-102.0-107.0 0.6 -6.4 5.3 35.6 50 45 A G T < 5S+ 0 0 55 -3,-0.9 -3,-0.2 -4,-0.3 2,-0.2 0.529 84.9 122.1 87.0 10.3 -10.1 6.2 35.0 51 46 A D < - 0 0 63 -5,-2.8 -1,-0.3 -6,-0.2 2,-0.2 -0.512 59.8-106.9-103.4 167.7 -9.4 7.4 31.4 52 47 A A - 0 0 48 -2,-0.2 2,-0.7 -3,-0.1 -1,-0.1 -0.523 18.1-123.9 -90.9 160.4 -10.8 6.4 28.0 53 48 A M - 0 0 4 -2,-0.2 2,-0.2 158,-0.1 162,-0.1 -0.931 36.4-146.0 -98.4 106.7 -9.3 4.4 25.1 54 49 A D - 0 0 59 -2,-0.7 0, 0.0 1,-0.1 0, 0.0 -0.532 16.3-165.0 -79.0 139.2 -9.6 6.8 22.2 55 50 A L + 0 0 16 -2,-0.2 -1,-0.1 4,-0.0 2,-0.1 0.673 55.6 103.9 -96.0 -22.0 -10.2 5.5 18.7 56 51 A G S > S- 0 0 43 1,-0.1 4,-2.8 4,-0.0 5,-0.2 -0.397 70.5-134.8 -66.4 138.1 -9.4 8.5 16.7 57 52 A L H > S+ 0 0 49 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.862 105.6 56.4 -60.4 -38.7 -6.1 8.5 14.9 58 53 A E H > S+ 0 0 179 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.955 112.1 41.4 -56.8 -50.7 -5.4 12.1 16.0 59 54 A A H > S+ 0 0 31 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.902 115.9 51.0 -63.2 -44.0 -5.8 11.1 19.7 60 55 A I H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 5,-0.5 0.925 109.6 49.6 -59.7 -45.8 -3.9 7.8 19.2 61 56 A F H X>S+ 0 0 9 -4,-2.9 4,-1.9 1,-0.2 5,-1.3 0.952 112.3 47.6 -60.5 -45.6 -1.0 9.6 17.5 62 57 A D H <>S+ 0 0 53 -4,-2.0 5,-1.4 -5,-0.2 4,-0.3 0.928 117.3 42.2 -65.4 -42.8 -0.8 12.2 20.3 63 58 A Q H <5S+ 0 0 35 -4,-2.5 6,-2.0 3,-0.2 4,-0.4 0.965 124.2 33.1 -69.0 -51.8 -0.9 9.5 23.1 64 59 A V H X5S+ 0 0 1 -4,-2.9 4,-0.5 4,-0.2 -3,-0.2 0.974 132.2 27.4 -71.4 -54.6 1.4 6.9 21.5 65 60 A V T <5S+ 0 0 12 -4,-1.9 -3,-0.2 -5,-0.5 -2,-0.1 0.951 131.6 32.0 -77.2 -50.6 3.9 9.2 19.7 66 61 A R T 4> - 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