==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-MAY-08 3D9W . COMPND 2 MOLECULE: PUTATIVE ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NOCARDIA FARCINICA; . AUTHOR I.LI DE LA SIERRA-GALLAY,B.PLUVINAGE,F.RODRIGUES-LIMA, . 1128 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43722.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 785 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 269 23.8 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 . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 17 1.5 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 . 6 0.5 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 . 114 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 103 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 244 21.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 2.0 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 4 0 0 5 10 1 0 0 3 4 5 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 . 7 4 5 6 13 1 10 2 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 1 1 0 1 3 0 1 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 P 0 0 107 0, 0.0 450,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-179.7 -25.1 -51.7 -10.5 2 5 A D + 0 0 143 5,-0.0 5,-0.1 3,-0.0 0, 0.0 0.582 360.0 117.8-120.7 -16.8 -25.1 -53.6 -13.7 3 6 A D S > S- 0 0 68 1,-0.2 3,-2.8 2,-0.1 4,-0.1 -0.307 73.0-124.7 -52.8 131.1 -21.8 -52.7 -15.4 4 7 A P G > S+ 0 0 84 0, 0.0 3,-1.6 0, 0.0 5,-0.4 0.671 106.0 78.5 -53.7 -15.8 -19.7 -55.9 -15.6 5 8 A A G 3 S+ 0 0 13 1,-0.3 192,-0.5 3,-0.1 193,-0.3 0.818 89.7 52.9 -63.7 -29.8 -17.1 -54.0 -13.7 6 9 A Y G < S+ 0 0 55 -3,-2.8 -1,-0.3 190,-0.1 2,-0.2 0.351 109.5 56.7 -90.0 9.5 -19.0 -54.5 -10.5 7 10 A H S < S- 0 0 58 -3,-1.6 190,-0.4 -4,-0.1 81,-0.1 -0.452 88.6-102.4-124.5-163.0 -19.2 -58.3 -11.0 8 11 A W - 0 0 3 79,-0.2 84,-0.1 -2,-0.2 83,-0.1 0.051 44.1-113.1-122.3 34.0 -16.9 -61.2 -11.5 9 12 A N + 0 0 43 -5,-0.4 3,-0.2 1,-0.1 4,-0.1 0.855 49.6 166.1 40.7 51.5 -16.9 -62.2 -15.2 10 13 A G > + 0 0 1 1,-0.2 3,-1.8 2,-0.2 5,-0.1 0.823 65.7 67.8 -63.2 -30.8 -18.6 -65.6 -14.5 11 14 A A T 3 S+ 0 0 54 1,-0.3 -1,-0.2 3,-0.1 4,-0.2 0.952 92.6 57.0 -52.7 -55.3 -19.3 -66.0 -18.2 12 15 A E T 3 S+ 0 0 53 -3,-0.2 2,-0.3 2,-0.1 -1,-0.3 0.440 90.1 101.8 -58.8 -0.1 -15.6 -66.4 -19.1 13 16 A L S < S- 0 0 7 -3,-1.8 2,-1.6 -4,-0.1 3,-0.2 -0.699 72.2-137.6 -92.7 137.3 -15.4 -69.3 -16.7 14 17 A D > - 0 0 38 -2,-0.3 4,-2.5 1,-0.2 3,-0.3 -0.721 25.3-171.7 -89.4 88.0 -15.5 -73.0 -17.8 15 18 A L H > S+ 0 0 13 -2,-1.6 4,-3.0 1,-0.2 5,-0.3 0.873 79.3 48.1 -49.8 -43.5 -17.7 -74.0 -15.0 16 19 A D H > S+ 0 0 49 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.874 109.2 50.4 -70.8 -37.0 -17.4 -77.7 -15.7 17 20 A A H > S+ 0 0 18 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.977 116.3 44.8 -62.3 -50.5 -13.6 -77.7 -16.0 18 21 A Y H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 5,-0.3 0.948 113.2 46.2 -56.3 -59.1 -13.5 -75.9 -12.7 19 22 A L H X>S+ 0 0 5 -4,-3.0 5,-2.9 1,-0.2 4,-1.0 0.842 114.5 50.9 -56.2 -33.3 -16.0 -78.0 -10.7 20 23 A A H <5S+ 0 0 75 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.895 107.5 53.7 -70.3 -40.7 -14.4 -81.1 -12.1 21 24 A R H <5S+ 0 0 72 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.836 114.9 37.7 -65.2 -35.8 -11.0 -79.9 -11.0 22 25 A I H <5S- 0 0 9 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.583 114.3-114.4 -92.3 -11.2 -12.0 -79.2 -7.3 23 26 A G T <5 + 0 0 33 -4,-1.0 -3,-0.2 -5,-0.3 -4,-0.1 0.823 45.9 177.7 85.5 33.3 -14.2 -82.3 -7.2 24 27 A F < + 0 0 24 -5,-2.9 -1,-0.2 -6,-0.2 14,-0.0 -0.353 11.1 163.2 -66.0 150.9 -17.6 -80.7 -6.8 25 28 A A + 0 0 84 2,-0.1 -1,-0.1 -2,-0.0 3,-0.1 0.344 38.4 94.4-151.5 6.5 -20.4 -83.2 -6.7 26 29 A G S S- 0 0 30 1,-0.2 2,-0.2 8,-0.1 8,-0.0 -0.201 84.7 -53.6 -95.9-171.8 -23.5 -81.5 -5.3 27 30 A E - 0 0 134 1,-0.1 2,-1.7 -2,-0.1 4,-0.3 -0.419 48.3-128.3 -64.8 132.4 -26.6 -79.7 -6.6 28 31 A R S S+ 0 0 135 -2,-0.2 -1,-0.1 -3,-0.1 0, 0.0 -0.292 71.3 102.6 -81.0 54.6 -25.7 -76.9 -9.0 29 32 A A S S- 0 0 21 -2,-1.7 2,-2.1 2,-0.1 5,-0.2 -0.887 85.8 -96.1-131.9 162.6 -27.8 -74.2 -7.3 30 33 A P S S+ 0 0 27 0, 0.0 94,-2.6 0, 0.0 95,-0.3 -0.320 71.9 138.8 -75.8 56.3 -27.0 -71.2 -4.9 31 34 A T >> - 0 0 24 -2,-2.1 4,-2.4 -4,-0.3 3,-0.7 -0.721 67.0-118.7-103.0 151.6 -27.8 -73.1 -1.7 32 35 A L H 3> S+ 0 0 29 -2,-0.3 4,-2.4 1,-0.3 5,-0.2 0.823 116.8 60.9 -55.3 -31.0 -25.8 -72.9 1.5 33 36 A A H 3> S+ 0 0 73 2,-0.2 4,-0.7 1,-0.2 -1,-0.3 0.903 106.8 44.0 -63.1 -41.7 -25.2 -76.7 1.0 34 37 A T H X> S+ 0 0 4 -3,-0.7 4,-3.0 2,-0.2 3,-1.0 0.932 112.0 52.0 -68.3 -47.1 -23.5 -75.9 -2.2 35 38 A L H 3X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.3 5,-0.2 0.895 105.9 55.0 -57.8 -41.4 -21.4 -73.0 -0.8 36 39 A R H 3X S+ 0 0 107 -4,-2.4 4,-0.8 -5,-0.2 -1,-0.3 0.760 114.7 40.7 -64.9 -23.0 -20.3 -75.2 2.0 37 40 A E H X S+ 0 0 1 -4,-2.3 4,-2.4 -5,-0.3 3,-1.2 0.950 112.7 48.5 -63.3 -54.7 -11.4 -75.5 -3.5 43 46 A T H 3< S+ 0 0 12 -4,-2.3 181,-0.4 -5,-0.3 -1,-0.2 0.797 119.3 40.8 -59.8 -27.6 -9.5 -74.9 -0.3 44 47 A T H 3< S+ 0 0 26 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.449 121.3 41.5-100.4 -0.4 -8.5 -78.6 -0.2 45 48 A A H << S+ 0 0 12 -3,-1.2 -3,-0.2 -4,-0.6 -2,-0.2 0.794 97.4 72.2-110.0 -47.3 -7.8 -79.0 -3.9 46 49 A I S < S- 0 0 9 -4,-2.4 178,-0.3 -5,-0.2 30,-0.1 -0.585 74.2-132.5 -81.1 128.5 -6.0 -75.9 -5.1 47 50 A P - 0 0 0 0, 0.0 30,-1.5 0, 0.0 2,-0.5 -0.284 14.8-129.1 -72.7 161.8 -2.3 -75.3 -4.1 48 51 A F B +aB 77 222A 8 174,-2.7 174,-1.5 28,-0.2 2,-0.3 -0.948 40.7 146.3-114.3 132.1 -1.0 -72.0 -2.8 49 52 A E - 0 0 1 28,-0.7 172,-0.2 -2,-0.5 3,-0.1 -0.992 44.2-161.3-164.2 156.4 2.1 -70.4 -4.3 50 53 A N > + 0 0 3 170,-0.3 4,-1.7 -2,-0.3 3,-0.3 -0.020 54.2 127.0-124.7 22.9 3.9 -67.2 -5.2 51 54 A L H > + 0 0 0 1,-0.2 4,-1.9 2,-0.2 6,-0.2 0.843 66.3 55.7 -54.3 -42.7 6.3 -68.8 -7.7 52 55 A E H 4>S+ 0 0 27 1,-0.2 5,-2.4 2,-0.2 3,-0.3 0.944 109.7 48.3 -56.4 -47.1 5.6 -66.6 -10.7 53 56 A A H >45S+ 0 0 10 -3,-0.3 3,-1.1 1,-0.2 -1,-0.2 0.854 111.1 50.0 -60.3 -38.0 6.5 -63.6 -8.5 54 57 A V H 3<5S+ 0 0 24 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.770 106.2 56.1 -73.6 -25.0 9.7 -65.3 -7.3 55 58 A L T 3<5S- 0 0 35 -4,-1.9 -1,-0.3 -3,-0.3 -2,-0.2 0.368 120.6-109.7 -87.4 6.8 10.6 -66.1 -10.9 56 59 A G T < 5S+ 0 0 73 -3,-1.1 -3,-0.2 1,-0.3 -2,-0.1 0.521 78.7 128.6 79.1 5.7 10.4 -62.4 -11.8 57 60 A R < - 0 0 88 -5,-2.4 -1,-0.3 -6,-0.2 -2,-0.1 -0.540 60.9-102.2 -94.8 159.7 7.3 -63.0 -13.8 58 61 A P - 0 0 66 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.390 21.4-135.2 -77.6 156.0 3.9 -61.2 -13.6 59 62 A V - 0 0 13 145,-0.1 2,-0.4 -2,-0.1 149,-0.1 -0.947 22.5-160.4-114.4 110.2 0.7 -62.5 -11.9 60 63 A R - 0 0 141 -2,-0.6 6,-0.0 1,-0.1 141,-0.0 -0.741 14.8-163.3 -97.8 141.5 -2.4 -62.0 -14.1 61 64 A L + 0 0 42 -2,-0.4 2,-0.1 4,-0.1 -1,-0.1 0.288 49.8 118.6-102.5 8.5 -5.9 -62.0 -12.7 62 65 A D S > S- 0 0 68 1,-0.1 4,-2.3 4,-0.0 5,-0.2 -0.497 73.7-120.4 -72.2 147.8 -7.9 -62.5 -16.0 63 66 A L H > S+ 0 0 8 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.816 108.0 67.6 -59.0 -31.8 -9.9 -65.7 -16.0 64 67 A A H >> S+ 0 0 53 2,-0.2 4,-1.9 1,-0.2 3,-0.5 0.982 110.3 32.4 -51.7 -64.1 -8.0 -66.9 -19.0 65 68 A T H 3> S+ 0 0 52 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.943 115.1 58.7 -58.9 -50.6 -4.8 -67.2 -17.2 66 69 A L H 3X S+ 0 0 1 -4,-2.3 4,-1.9 1,-0.2 5,-0.3 0.807 110.6 44.7 -49.7 -33.5 -6.4 -68.2 -13.9 67 70 A Q H S+ 0 0 16 -4,-2.3 5,-1.4 -3,-0.5 4,-1.3 0.848 111.8 48.8 -82.3 -36.1 -8.0 -71.2 -15.6 68 71 A D H <5S+ 0 0 99 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.793 122.0 37.2 -73.2 -24.9 -5.0 -72.4 -17.6 69 72 A K H <5S+ 0 0 26 -4,-2.4 6,-0.7 -5,-0.2 4,-0.4 0.913 128.1 28.0 -89.6 -53.5 -2.9 -72.2 -14.4 70 73 A L H <5S+ 0 0 0 -4,-1.9 -3,-0.2 -5,-0.3 -2,-0.1 0.703 133.2 29.0 -86.2 -22.7 -5.2 -73.3 -11.6 71 74 A V T <5S+ 0 0 15 -4,-1.3 -3,-0.2 -5,-0.3 -4,-0.1 0.720 129.4 32.4-108.8 -30.2 -7.6 -75.6 -13.5 72 75 A H S - 0 0 1 -2,-0.3 4,-2.9 -30,-0.2 5,-0.3 -0.280 59.7 -58.7-102.4-165.4 -2.3 -66.8 -3.9 79 82 A C H > S+ 0 0 7 56,-0.3 4,-3.5 1,-0.2 5,-0.3 0.858 130.7 41.9 -40.0 -61.9 -5.3 -64.9 -2.4 80 83 A Y H > S+ 0 0 2 35,-0.2 4,-2.7 2,-0.2 5,-0.2 0.919 116.6 48.0 -57.5 -47.5 -6.2 -62.8 -5.5 81 84 A E H > S+ 0 0 3 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.949 117.7 43.1 -58.6 -48.5 -5.8 -65.6 -8.0 82 85 A N H X S+ 0 0 6 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.931 116.4 44.7 -64.0 -49.6 -7.8 -67.9 -5.8 83 86 A A H X S+ 0 0 2 -4,-3.5 4,-2.9 -5,-0.3 5,-0.2 0.885 109.3 57.5 -64.7 -38.3 -10.6 -65.5 -4.9 84 87 A G H X S+ 0 0 16 -4,-2.7 4,-1.4 -5,-0.3 -1,-0.2 0.873 111.4 41.4 -59.9 -39.3 -10.9 -64.3 -8.5 85 88 A L H X S+ 0 0 0 -4,-1.5 4,-1.9 -5,-0.2 -1,-0.2 0.921 114.6 51.2 -74.4 -45.2 -11.6 -67.8 -9.8 86 89 A F H X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.869 107.4 54.1 -60.7 -38.3 -13.8 -68.7 -6.9 87 90 A A H X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 5,-0.2 0.928 105.3 53.2 -63.0 -44.6 -15.9 -65.5 -7.4 88 91 A A H X S+ 0 0 0 -4,-1.4 4,-2.6 1,-0.2 -2,-0.2 0.931 112.0 45.1 -55.4 -48.4 -16.5 -66.3 -11.1 89 92 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.941 111.6 52.3 -61.5 -49.2 -17.8 -69.8 -10.1 90 93 A L H <>S+ 0 0 0 -4,-2.6 5,-2.1 2,-0.2 -2,-0.2 0.939 111.7 46.3 -51.8 -52.9 -20.0 -68.4 -7.3 91 94 A E H ><5S+ 0 0 53 -4,-2.9 3,-3.1 1,-0.2 -1,-0.2 0.964 109.0 55.6 -54.7 -55.6 -21.6 -65.9 -9.6 92 95 A R H 3<5S+ 0 0 86 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.858 104.2 53.7 -44.7 -45.4 -22.1 -68.5 -12.3 93 96 A L T 3<5S- 0 0 12 -4,-2.3 -1,-0.3 -3,-0.1 -2,-0.2 0.400 126.1-100.3 -75.7 4.8 -24.1 -70.7 -9.8 94 97 A G T < 5S+ 0 0 52 -3,-3.1 -3,-0.2 1,-0.2 -2,-0.2 0.757 71.5 150.6 84.5 25.5 -26.4 -67.7 -9.0 95 98 A F < - 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