==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-SEP-11 3TR6 . COMPND 2 MOLECULE: O-METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: COXIELLA BURNETII; . AUTHOR J.CHEUNG,M.FRANKLIN,M.RUDOLPH,M.CASSIDY,E.GARY,F.BURSHTEYN,J . 223 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11904.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 168 75.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 1 0.4 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 . 15 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 35.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.8 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 0 0 0 1 0 2 0 1 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 3 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 . 0 0 0 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 X 0 0 220 0, 0.0 3,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 167.3 6.4 61.4 -27.3 2 2 A S + 0 0 96 1,-0.6 2,-0.2 3,-0.0 0, 0.0 -0.061 360.0 83.2 137.9 120.9 5.9 59.4 -24.0 3 3 A I + 0 0 102 2,-0.1 -1,-0.6 -2,-0.1 3,-0.0 0.067 59.8 172.5 -43.6 137.7 4.1 57.3 -22.9 4 4 A N + 0 0 123 -2,-0.2 2,-0.4 -3,-0.1 -2,-0.0 0.235 51.9 73.7-120.5 6.6 6.5 55.0 -24.8 5 5 A T S S- 0 0 98 0, 0.0 2,-0.8 0, 0.0 -2,-0.1 -0.978 86.3-114.8-122.9 136.8 5.2 51.7 -23.4 6 6 A T - 0 0 116 -2,-0.4 2,-0.1 1,-0.0 -2,-0.0 -0.590 39.1-137.3 -67.3 109.3 2.0 49.9 -24.3 7 7 A L - 0 0 116 -2,-0.8 2,-0.5 1,-0.1 5,-0.1 -0.410 17.4-111.4 -72.3 144.9 0.0 50.1 -21.0 8 8 A L - 0 0 86 -2,-0.1 -1,-0.1 4,-0.1 3,-0.0 -0.659 29.1-171.1 -82.6 122.1 -1.9 47.0 -19.9 9 9 A T > - 0 0 65 -2,-0.5 4,-3.3 1,-0.1 5,-0.2 -0.639 44.0-104.0 -92.7 163.8 -5.7 47.0 -19.9 10 10 A P H > S+ 0 0 94 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.885 125.6 53.1 -55.1 -34.5 -7.5 44.1 -18.3 11 11 A E H > S+ 0 0 142 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.969 112.9 40.0 -62.4 -55.2 -8.2 43.0 -21.9 12 12 A L H > S+ 0 0 65 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.886 112.4 57.5 -63.6 -40.1 -4.5 43.2 -23.0 13 13 A Y H X S+ 0 0 72 -4,-3.3 4,-1.9 1,-0.2 -1,-0.2 0.918 107.1 47.8 -55.8 -46.3 -3.4 41.7 -19.7 14 14 A Q H X S+ 0 0 97 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.884 110.5 51.6 -64.3 -39.4 -5.6 38.6 -20.2 15 15 A Y H X S+ 0 0 133 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.892 106.5 55.5 -62.6 -39.8 -4.3 38.2 -23.8 16 16 A L H >< S+ 0 0 60 -4,-2.4 3,-0.7 1,-0.2 4,-0.4 0.925 107.1 48.4 -59.9 -46.5 -0.7 38.4 -22.5 17 17 A L H >X S+ 0 0 27 -4,-1.9 4,-1.5 1,-0.2 3,-0.8 0.864 107.4 57.6 -60.7 -35.8 -1.3 35.5 -20.1 18 18 A Q H 3< S+ 0 0 149 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.760 115.5 34.7 -68.4 -25.4 -2.9 33.5 -22.9 19 19 A V T << S+ 0 0 90 -4,-1.2 -1,-0.2 -3,-0.7 -2,-0.2 0.241 132.7 23.7-113.7 12.2 0.3 33.8 -25.0 20 20 A S T <4 S+ 0 0 47 -3,-0.8 2,-0.5 -4,-0.4 -3,-0.2 0.573 86.4 98.0-140.8 -40.8 2.9 33.6 -22.3 21 21 A L < + 0 0 50 -4,-1.5 2,-0.4 -5,-0.4 -1,-0.1 -0.466 35.5 172.8 -71.6 113.0 1.9 31.9 -19.0 22 22 A R - 0 0 216 -2,-0.5 -1,-0.1 25,-0.1 -4,-0.0 -0.576 13.4-176.9-114.8 65.6 3.1 28.3 -18.9 23 23 A E - 0 0 38 -2,-0.4 25,-0.0 1,-0.1 -2,-0.0 -0.480 27.0-124.0 -71.8 124.2 2.1 27.4 -15.3 24 24 A P >> - 0 0 53 0, 0.0 4,-2.1 0, 0.0 3,-1.0 -0.493 22.3-121.9 -64.8 134.1 3.2 23.9 -14.3 25 25 A P H 3> S+ 0 0 111 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.807 111.2 57.4 -48.7 -38.0 0.1 21.9 -13.1 26 26 A L H 3> S+ 0 0 35 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.900 108.7 44.9 -62.4 -42.1 1.8 21.3 -9.7 27 27 A L H <> S+ 0 0 5 -3,-1.0 4,-1.6 2,-0.2 -1,-0.2 0.878 110.7 54.5 -68.3 -38.3 2.2 25.1 -9.1 28 28 A A H X S+ 0 0 26 -4,-2.1 4,-1.5 1,-0.2 3,-0.3 0.926 110.6 46.6 -57.4 -45.6 -1.3 25.7 -10.3 29 29 A E H X S+ 0 0 80 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.867 106.4 59.8 -64.2 -38.5 -2.5 23.2 -7.7 30 30 A L H X S+ 0 0 0 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.839 108.8 42.2 -60.9 -36.2 -0.3 24.8 -5.0 31 31 A R H X S+ 0 0 59 -4,-1.6 4,-2.2 -3,-0.3 -1,-0.2 0.744 107.6 58.7 -88.8 -22.6 -2.1 28.1 -5.3 32 32 A E H X S+ 0 0 121 -4,-1.5 4,-1.8 -5,-0.2 -2,-0.2 0.910 112.8 42.8 -62.1 -41.9 -5.6 26.7 -5.5 33 33 A E H X S+ 0 0 47 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.862 111.6 52.9 -72.5 -37.1 -4.8 25.2 -2.2 34 34 A T H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 7,-0.3 0.901 110.9 48.0 -64.7 -39.4 -3.1 28.3 -0.8 35 35 A T H < S+ 0 0 70 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.901 114.9 46.4 -64.3 -41.5 -6.3 30.3 -1.8 36 36 A R H < S+ 0 0 175 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.829 123.9 29.7 -70.2 -34.2 -8.4 27.7 -0.1 37 37 A S H < S+ 0 0 44 -4,-2.3 2,-0.5 1,-0.1 -2,-0.2 0.606 110.2 62.9-107.9 -16.0 -6.5 27.4 3.1 38 38 A F >< - 0 0 16 -4,-2.1 3,-1.7 -5,-0.2 -1,-0.1 -0.952 51.5-161.2-125.0 122.8 -4.8 30.7 3.7 39 39 A S T 3 S+ 0 0 121 -2,-0.5 3,-0.3 1,-0.3 -1,-0.1 0.695 101.2 56.9 -66.6 -17.2 -6.5 34.1 4.4 40 40 A T T > + 0 0 67 1,-0.2 3,-2.0 -6,-0.1 -1,-0.3 0.210 69.4 122.5 -98.5 13.7 -3.2 35.6 3.4 41 41 A Y G X + 0 0 109 -3,-1.7 3,-1.7 -7,-0.3 -1,-0.2 0.725 58.7 72.5 -46.3 -31.0 -3.2 33.8 0.0 42 42 A A G 3 S+ 0 0 77 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.749 81.6 68.1 -65.8 -25.8 -2.9 37.2 -1.8 43 43 A X G < S+ 0 0 90 -3,-2.0 -1,-0.3 2,-0.1 -2,-0.1 0.411 77.7 119.5 -75.0 6.6 0.7 37.7 -0.9 44 44 A Q S < S- 0 0 25 -3,-1.7 2,-0.1 -4,-0.1 27,-0.1 -0.427 77.5 -95.9 -71.4 146.1 1.5 34.8 -3.1 45 45 A T - 0 0 2 179,-0.2 -1,-0.1 -2,-0.1 167,-0.1 -0.386 42.4-106.5 -65.3 135.0 3.8 35.4 -6.1 46 46 A A > - 0 0 26 1,-0.1 4,-2.8 -2,-0.1 3,-0.4 -0.396 23.5-127.5 -61.2 133.8 2.1 36.1 -9.4 47 47 A P H > S+ 0 0 22 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.878 110.1 48.4 -51.1 -41.6 2.4 33.1 -11.7 48 48 A E H > S+ 0 0 18 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.840 111.3 48.7 -71.7 -34.4 3.7 35.3 -14.5 49 49 A Q H > S+ 0 0 0 -3,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.912 111.0 50.4 -70.1 -42.5 6.3 37.0 -12.2 50 50 A A H X S+ 0 0 2 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.873 105.8 57.0 -60.5 -38.5 7.5 33.7 -10.9 51 51 A Q H X S+ 0 0 62 -4,-1.8 4,-1.8 -5,-0.3 -1,-0.2 0.863 104.8 51.3 -62.6 -36.5 7.8 32.5 -14.5 52 52 A L H X S+ 0 0 37 -4,-1.2 4,-1.8 2,-0.2 -1,-0.2 0.874 108.0 52.6 -65.8 -39.4 10.1 35.4 -15.2 53 53 A L H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.909 107.3 51.8 -60.8 -44.4 12.2 34.4 -12.2 54 54 A A H X S+ 0 0 19 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.889 108.2 51.7 -60.0 -40.3 12.5 30.9 -13.5 55 55 A L H X S+ 0 0 101 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.867 107.6 52.8 -65.4 -36.1 13.7 32.3 -16.9 56 56 A L H X S+ 0 0 24 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.881 104.9 54.3 -67.4 -40.1 16.4 34.3 -15.1 57 57 A V H X>S+ 0 0 0 -4,-2.0 5,-2.2 1,-0.2 4,-0.9 0.907 112.1 45.7 -57.5 -42.4 17.7 31.2 -13.2 58 58 A K H <5S+ 0 0 111 -4,-1.6 -2,-0.2 3,-0.2 -1,-0.2 0.901 111.5 50.3 -70.0 -41.5 18.1 29.5 -16.6 59 59 A L H <5S+ 0 0 131 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.897 120.0 35.9 -64.8 -40.9 19.7 32.5 -18.3 60 60 A X H <5S- 0 0 46 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.628 101.7-132.9 -83.9 -13.5 22.3 33.0 -15.5 61 61 A Q T <5 - 0 0 104 -4,-0.9 2,-0.2 -5,-0.2 -3,-0.2 0.970 33.0-156.7 51.9 53.6 22.5 29.2 -15.0 62 62 A A < + 0 0 0 -5,-2.2 -1,-0.2 -6,-0.2 3,-0.1 -0.451 26.2 176.7 -67.9 126.3 22.2 30.2 -11.3 63 63 A K S S+ 0 0 85 1,-0.2 25,-2.3 -2,-0.2 2,-0.4 0.541 71.7 44.2-106.8 -12.3 23.6 27.5 -9.0 64 64 A K E S+a 88 0A 57 23,-0.2 75,-2.5 2,-0.0 76,-1.4 -0.899 70.5 170.2-138.9 107.8 23.1 29.2 -5.7 65 65 A V E -ab 89 140A 1 23,-2.5 25,-2.2 -2,-0.4 2,-0.4 -0.897 19.7-154.9-121.5 143.6 19.7 31.0 -5.1 66 66 A I E -ab 90 141A 0 74,-2.3 76,-2.7 -2,-0.4 2,-0.6 -0.972 3.7-162.8-116.2 135.5 18.1 32.6 -2.0 67 67 A D E -ab 91 142A 0 23,-3.0 25,-3.3 -2,-0.4 2,-0.9 -0.901 6.5-162.5-118.1 99.8 14.4 32.9 -1.7 68 68 A I E S+ab 92 143A 0 74,-2.8 76,-2.3 -2,-0.6 25,-0.1 -0.740 72.3 27.4 -88.0 106.8 13.4 35.4 1.0 69 69 A G - 0 0 0 23,-2.2 24,-0.2 -2,-0.9 6,-0.2 0.728 63.4-174.1 106.1 82.7 9.8 34.9 2.0 70 70 A T > + 0 0 0 22,-1.6 3,-3.2 1,-0.2 4,-0.4 0.907 16.0 161.5 -73.2 -45.6 8.7 31.3 1.5 71 71 A F T 3 S- 0 0 4 1,-0.3 31,-0.3 2,-0.2 -1,-0.2 -0.401 87.0 -20.2 50.6-124.7 5.0 31.5 2.3 72 72 A T T 3 S- 0 0 0 152,-0.5 -1,-0.3 29,-0.1 33,-0.1 0.236 102.4-105.7 -94.3 13.1 3.6 28.3 0.7 73 73 A G S <> S+ 0 0 0 -3,-3.2 4,-2.0 -4,-0.1 5,-0.2 0.725 71.3 142.0 80.0 28.2 6.7 28.1 -1.5 74 74 A Y H > S+ 0 0 4 -4,-0.4 4,-2.5 150,-0.2 5,-0.1 0.960 80.0 37.4 -65.0 -52.7 5.5 29.2 -4.9 75 75 A S H > S+ 0 0 0 -5,-0.2 4,-2.5 2,-0.2 5,-0.3 0.852 114.5 56.8 -69.0 -34.4 8.5 31.2 -5.9 76 76 A A H > S+ 0 0 0 -6,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.902 114.0 39.0 -61.8 -42.3 10.9 28.8 -4.2 77 77 A I H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.858 111.9 57.3 -76.4 -38.0 9.5 26.0 -6.3 78 78 A A H < S+ 0 0 9 -4,-2.5 4,-0.5 -5,-0.2 -2,-0.2 0.944 117.5 34.2 -57.3 -49.4 9.2 28.1 -9.5 79 79 A X H >X S+ 0 0 0 -4,-2.5 3,-1.1 1,-0.2 4,-1.0 0.867 113.2 61.3 -73.2 -38.6 12.9 28.9 -9.3 80 80 A G H >< S+ 0 0 0 -4,-2.0 3,-0.7 -5,-0.3 -2,-0.2 0.884 101.0 53.6 -53.8 -42.3 13.8 25.4 -7.9 81 81 A L T 3< S+ 0 0 74 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.715 108.2 50.4 -67.4 -21.3 12.4 23.8 -11.0 82 82 A A T <4 S+ 0 0 6 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.601 84.6 117.2 -93.1 -13.2 14.6 25.9 -13.2 83 83 A L << - 0 0 10 -4,-1.0 -20,-0.1 -3,-0.7 -25,-0.1 -0.222 69.6-115.7 -54.9 138.0 17.8 25.1 -11.2 84 84 A P > - 0 0 19 0, 0.0 3,-2.7 0, 0.0 -1,-0.1 -0.278 42.7 -88.3 -67.2 166.7 20.6 23.3 -13.1 85 85 A K T 3 S+ 0 0 190 1,-0.3 -2,-0.1 3,-0.0 -22,-0.0 0.779 129.4 39.2 -50.9 -34.9 21.4 19.8 -11.9 86 86 A D T 3 S+ 0 0 90 2,-0.0 -1,-0.3 -22,-0.0 2,-0.2 0.165 93.9 115.5-103.5 16.3 24.0 21.1 -9.3 87 87 A G < - 0 0 1 -3,-2.7 2,-0.3 -7,-0.1 -23,-0.2 -0.564 43.4-166.0 -89.3 150.9 22.0 24.1 -8.2 88 88 A T E -a 64 0A 63 -25,-2.3 -23,-2.5 -2,-0.2 2,-0.4 -0.969 6.3-162.2-134.4 153.1 20.6 24.7 -4.8 89 89 A L E -ac 65 115A 1 25,-2.9 27,-2.1 -2,-0.3 2,-0.4 -0.996 3.6-160.0-135.3 127.6 18.0 27.2 -3.3 90 90 A I E -ac 66 116A 17 -25,-2.2 -23,-3.0 -2,-0.4 2,-0.4 -0.919 13.1-156.8-105.2 135.8 17.5 28.1 0.3 91 91 A T E -ac 67 117A 0 25,-2.0 27,-3.0 -2,-0.4 2,-0.4 -0.921 3.8-149.7-118.4 137.5 14.2 29.6 1.3 92 92 A C E +ac 68 118A 1 -25,-3.3 -23,-2.2 -2,-0.4 -22,-1.6 -0.868 30.2 130.9-114.3 136.4 13.5 31.8 4.3 93 93 A D E - 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