==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-FEB-12 4DMO . COMPND 2 MOLECULE: N-HYDROXYARYLAMINE O-ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR X.KUBIAK,I.LI DE LA SIERRA-GALLAY,A.HAOUZ,P.WEBER,F.RODRIGUE . 506 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24464.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 354 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 137 27.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 12 2.4 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 . 39 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 23.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 3.2 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 0 2 0 2 1 2 2 3 0 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 . 1 6 3 2 5 4 4 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 . 2 0 0 0 2 0 1 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 M 0 0 87 0, 0.0 17,-0.1 0, 0.0 82,-0.1 0.000 360.0 360.0 360.0 115.8 109.6 -9.3 38.2 2 2 A T > - 0 0 17 80,-0.1 4,-1.9 1,-0.1 5,-0.1 -0.225 360.0-108.4 -75.9 170.7 107.1 -11.1 35.8 3 3 A D H > S+ 0 0 74 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.894 120.2 58.0 -64.9 -41.1 103.6 -9.9 35.1 4 4 A F H > S+ 0 0 3 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.945 107.9 47.0 -52.2 -50.5 102.2 -12.8 37.1 5 5 A Q H > S+ 0 0 12 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.895 112.2 49.2 -58.5 -44.3 104.2 -11.7 40.2 6 6 A K H X S+ 0 0 115 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.946 113.0 45.6 -65.4 -46.7 103.0 -8.0 39.8 7 7 A Q H X S+ 0 0 53 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.825 112.1 55.1 -63.5 -32.3 99.3 -9.0 39.4 8 8 A F H X S+ 0 0 1 -4,-1.9 4,-2.4 -5,-0.3 -2,-0.2 0.945 108.0 44.7 -68.0 -51.6 99.8 -11.3 42.4 9 9 A F H X>S+ 0 0 2 -4,-2.6 5,-1.8 1,-0.2 4,-1.0 0.935 115.2 51.3 -57.4 -42.5 101.1 -8.7 44.8 10 10 A A H ><5S+ 0 0 60 -4,-2.3 3,-0.8 -5,-0.2 -2,-0.2 0.935 108.6 49.9 -59.2 -48.3 98.4 -6.4 43.5 11 11 A R H 3<5S+ 0 0 12 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.914 114.7 44.5 -56.5 -43.3 95.7 -9.1 44.2 12 12 A L H 3<5S- 0 0 5 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.580 105.1-129.1 -81.1 -8.2 97.0 -9.6 47.7 13 13 A H T <<5 + 0 0 147 -4,-1.0 2,-0.3 -3,-0.8 -3,-0.2 0.889 64.9 127.4 57.6 42.3 97.3 -5.9 48.5 14 14 A I < - 0 0 41 -5,-1.8 -1,-0.2 -6,-0.1 -2,-0.1 -0.849 67.4 -76.1-123.0 163.6 100.9 -6.4 49.7 15 15 A E - 0 0 151 -2,-0.3 -1,-0.1 -3,-0.1 -3,-0.0 -0.228 46.4-112.8 -58.4 136.7 104.2 -4.6 48.7 16 16 A E - 0 0 99 -7,-0.0 2,-0.3 2,-0.0 -1,-0.1 -0.372 37.5-167.2 -57.1 147.6 105.9 -5.5 45.4 17 17 A K - 0 0 73 1,-0.1 3,-0.1 -12,-0.1 -8,-0.1 -0.930 26.3-163.9-145.9 126.3 109.2 -7.3 46.1 18 18 A D S S+ 0 0 128 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.640 92.4 42.2 -82.5 -16.5 112.0 -8.1 43.6 19 19 A T S S- 0 0 120 -18,-0.0 2,-0.5 2,-0.0 -1,-0.2 -0.949 74.9-166.3-128.8 115.2 113.4 -10.6 46.1 20 20 A V - 0 0 15 -2,-0.4 2,-0.2 63,-0.3 -3,-0.0 -0.859 11.0-159.9-100.6 126.4 110.9 -12.9 47.9 21 21 A S > - 0 0 49 -2,-0.5 3,-0.7 1,-0.1 4,-0.4 -0.547 29.5-112.8-102.0 169.3 112.3 -14.8 51.0 22 22 A F G >> S+ 0 0 46 1,-0.2 3,-1.9 2,-0.2 4,-0.5 0.903 116.9 58.8 -62.1 -43.7 111.1 -17.9 52.8 23 23 A E G 34 S+ 0 0 170 1,-0.3 4,-0.3 2,-0.2 -1,-0.2 0.701 101.1 59.3 -62.4 -19.4 110.3 -15.9 55.9 24 24 A D G <> S+ 0 0 34 -3,-0.7 4,-2.0 1,-0.2 3,-0.5 0.637 84.7 80.4 -76.8 -22.7 107.9 -13.9 53.6 25 25 A L H <> S+ 0 0 4 -3,-1.9 4,-2.9 -4,-0.4 5,-0.2 0.907 86.0 55.6 -61.3 -44.9 105.8 -16.9 52.6 26 26 A S H X S+ 0 0 49 -4,-0.5 4,-1.9 1,-0.2 -1,-0.3 0.860 110.9 44.7 -52.9 -41.4 103.7 -17.1 55.8 27 27 A N H > S+ 0 0 98 -3,-0.5 4,-2.3 -4,-0.3 -1,-0.2 0.849 111.3 52.0 -82.2 -27.7 102.6 -13.5 55.3 28 28 A I H X S+ 0 0 8 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.914 110.6 49.9 -66.9 -39.6 101.9 -13.9 51.6 29 29 A M H X S+ 0 0 6 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.880 110.3 49.9 -65.1 -40.3 99.7 -17.0 52.5 30 30 A Y H X S+ 0 0 95 -4,-1.9 4,-1.7 102,-0.3 -1,-0.2 0.949 111.7 48.0 -62.7 -48.1 97.9 -15.0 55.1 31 31 A A H X S+ 0 0 9 -4,-2.3 4,-1.4 1,-0.2 5,-0.2 0.895 109.4 53.8 -59.4 -42.7 97.3 -12.2 52.6 32 32 A M H X S+ 0 0 4 -4,-2.8 4,-2.9 1,-0.2 3,-0.3 0.909 108.2 50.2 -60.0 -38.7 96.1 -14.7 50.0 33 33 A A H < S+ 0 0 6 -4,-2.1 178,-0.7 1,-0.2 -1,-0.2 0.820 109.8 50.8 -69.3 -31.6 93.6 -16.1 52.5 34 34 A Q H < S+ 0 0 40 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.758 124.5 26.2 -74.7 -22.7 92.3 -12.6 53.2 35 35 A T H < S+ 0 0 22 -4,-1.4 -2,-0.2 -3,-0.3 -3,-0.2 0.781 110.5 60.4-114.5 -35.4 91.8 -11.8 49.6 36 36 A V S < S- 0 0 8 -4,-2.9 175,-0.2 -5,-0.2 -1,-0.2 -0.886 72.1-150.7-105.5 113.3 91.2 -14.9 47.4 37 37 A P - 0 0 0 0, 0.0 30,-1.6 0, 0.0 2,-0.7 -0.415 19.4-114.1 -81.9 157.6 88.2 -16.9 48.4 38 38 A F E +aB 67 209A 18 171,-3.1 171,-2.8 28,-0.2 2,-0.3 -0.813 55.4 156.7 -82.0 116.7 87.6 -20.6 48.0 39 39 A E E - B 0 208A 0 28,-1.3 169,-0.2 -2,-0.7 3,-0.2 -0.999 40.8-164.6-151.2 150.4 84.8 -20.8 45.5 40 40 A N >> + 0 0 0 167,-1.3 3,-1.5 -2,-0.3 4,-1.0 0.138 51.9 119.8-117.7 18.1 83.3 -23.2 43.0 41 41 A L H 3> + 0 0 4 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.773 65.9 63.4 -68.3 -26.6 81.1 -20.9 40.9 42 42 A N H 34>S+ 0 0 4 1,-0.2 5,-2.2 2,-0.2 6,-0.9 0.711 100.5 55.4 -72.5 -16.3 82.9 -21.6 37.5 43 43 A I H <45S+ 0 0 9 -3,-1.5 3,-0.4 3,-0.2 -1,-0.2 0.887 111.9 42.6 -73.5 -42.5 81.8 -25.3 37.7 44 44 A L H <5S+ 0 0 55 -4,-1.0 -2,-0.2 1,-0.2 -1,-0.1 0.817 116.0 47.1 -74.9 -35.4 78.2 -24.2 38.1 45 45 A E T <5S- 0 0 86 -4,-2.3 -1,-0.2 0, 0.0 -2,-0.2 0.428 106.5-132.5 -79.3 -5.3 78.4 -21.5 35.4 46 46 A K T 5S+ 0 0 178 -3,-0.4 -3,-0.2 -5,-0.2 -4,-0.1 0.885 74.7 114.8 54.0 42.8 80.1 -24.1 33.3 47 47 A N < + 0 0 81 -5,-2.2 -4,-0.2 -6,-0.1 -1,-0.1 0.042 31.9 135.6-130.5 28.3 82.9 -21.7 32.3 48 48 A F - 0 0 75 -6,-0.9 2,-0.3 -5,-0.1 3,-0.0 -0.332 38.1-156.3 -63.5 154.0 85.9 -23.3 33.9 49 49 A K - 0 0 134 1,-0.1 -2,-0.1 3,-0.0 -1,-0.0 -0.801 30.7 -65.0-126.3 174.8 89.0 -23.4 31.7 50 50 A E - 0 0 120 -2,-0.3 2,-0.8 1,-0.1 5,-0.1 -0.271 58.4-108.0 -53.2 139.9 92.1 -25.4 31.4 51 51 A I + 0 0 1 133,-0.2 2,-0.3 4,-0.1 137,-0.2 -0.685 65.6 134.7 -78.5 113.3 94.4 -25.0 34.4 52 52 A S > - 0 0 24 -2,-0.8 4,-2.0 1,-0.1 5,-0.2 -0.949 67.7-105.4-152.7 164.3 97.3 -22.9 33.2 53 53 A K H > S+ 0 0 51 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.903 119.6 45.1 -60.5 -44.7 99.3 -19.9 34.4 54 54 A E H > S+ 0 0 58 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.946 113.3 47.4 -68.4 -49.9 97.6 -17.6 31.9 55 55 A N H > S+ 0 0 45 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.899 116.2 46.6 -57.5 -38.0 94.0 -18.8 32.5 56 56 A L H X>S+ 0 0 4 -4,-2.0 4,-2.6 2,-0.2 5,-1.0 0.901 108.2 53.3 -75.9 -39.0 94.7 -18.5 36.3 57 57 A K H X>S+ 0 0 19 -4,-2.4 5,-2.7 3,-0.2 4,-0.8 0.911 115.0 44.6 -55.5 -42.6 96.3 -15.1 36.2 58 58 A E H <>S+ 0 0 96 -4,-2.1 5,-3.0 3,-0.2 -2,-0.2 0.926 119.8 38.1 -69.0 -51.0 93.2 -13.9 34.3 59 59 A K H <5S+ 0 0 27 -4,-2.7 6,-2.1 -5,-0.2 -3,-0.2 0.973 131.3 24.2 -66.9 -52.9 90.5 -15.6 36.5 60 60 A I H <5S+ 0 0 1 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.908 133.2 27.8 -85.3 -46.8 92.1 -15.1 39.9 61 61 A L T <> - 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