==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 17-NOV-09 3KQ5 . COMPND 2 MOLECULE: HYPOTHETICAL CYTOSOLIC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: COXIELLA BURNETII; . AUTHOR J.B.BONANNO,M.FREEMAN,K.T.BAIN,S.CHANG,S.OZYURT,S.WASSERMAN, . 360 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17529.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 244 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 9.7 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 19 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 34.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.2 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 1 4 0 1 2 1 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 0 2 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 13 A N 0 0 158 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 124.4 -28.8 -0.1 15.6 2 14 A Q - 0 0 62 66,-0.3 66,-2.9 0, 0.0 2,-0.3 -0.811 360.0-160.2-115.3 143.0 -26.5 -1.7 18.2 3 15 A F - 0 0 103 -2,-0.3 2,-0.3 64,-0.2 62,-0.1 -0.861 27.2-103.5-123.1 155.4 -23.2 -0.3 19.5 4 16 A Y - 0 0 23 62,-0.4 6,-0.0 60,-0.4 56,-0.0 -0.620 27.3-145.7 -79.4 138.0 -20.4 -2.1 21.2 5 17 A K > - 0 0 38 -2,-0.3 3,-2.1 4,-0.0 -1,-0.0 -0.920 32.3-102.7-102.3 124.0 -20.1 -1.5 24.9 6 18 A P T 3 S+ 0 0 92 0, 0.0 145,-0.1 0, 0.0 236,-0.0 -0.209 104.4 15.5 -46.2 123.5 -16.4 -1.4 26.2 7 19 A G T 3 S+ 0 0 15 143,-0.5 2,-0.2 1,-0.3 227,-0.1 0.328 91.7 123.7 97.6 -5.2 -15.7 -4.8 27.9 8 20 A M < - 0 0 46 -3,-2.1 142,-0.5 142,-0.1 2,-0.4 -0.541 61.0-112.7 -88.4 158.2 -18.5 -7.0 26.7 9 21 A L E -AB 149 229A 0 220,-3.2 220,-2.6 -2,-0.2 140,-0.2 -0.754 23.5-153.5 -93.8 137.2 -18.1 -10.3 24.9 10 22 A V E -A 148 0A 0 138,-2.5 138,-1.5 -2,-0.4 218,-0.1 -0.862 16.7-126.0-107.5 135.6 -19.1 -10.7 21.2 11 23 A P E -A 147 0A 19 0, 0.0 2,-0.4 0, 0.0 136,-0.2 -0.444 21.9-122.0 -80.3 158.4 -20.0 -14.0 19.8 12 24 A V - 0 0 16 134,-1.6 2,-0.3 -2,-0.1 46,-0.0 -0.786 29.2-163.2 -95.9 143.1 -18.3 -15.3 16.7 13 25 A F - 0 0 45 -2,-0.4 2,-0.2 42,-0.1 127,-0.2 -0.876 17.5-121.9-123.3 159.6 -20.4 -16.2 13.7 14 26 A S > - 0 0 66 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.615 31.7-112.8 -91.5 157.1 -19.8 -18.2 10.6 15 27 A A H > S+ 0 0 4 -2,-0.2 4,-1.9 1,-0.2 -1,-0.1 0.895 121.3 56.4 -58.6 -36.1 -20.3 -16.4 7.2 16 28 A A H 4 S+ 0 0 61 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.931 108.0 48.3 -59.8 -41.3 -23.3 -18.7 6.6 17 29 A G H >4 S+ 0 0 18 1,-0.2 3,-0.7 2,-0.2 -2,-0.2 0.899 113.1 46.3 -66.7 -37.8 -24.7 -17.3 9.9 18 30 A L H 3< S+ 0 0 4 -4,-2.1 3,-0.3 1,-0.2 -1,-0.2 0.761 116.4 45.5 -77.0 -24.5 -24.1 -13.7 9.0 19 31 A L T 3< S+ 0 0 1 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.291 80.1 103.3-101.7 12.8 -25.5 -14.1 5.4 20 32 A K < + 0 0 146 -3,-0.7 -1,-0.2 -4,-0.4 -2,-0.1 0.738 51.6 100.9 -73.3 -23.3 -28.7 -16.0 6.2 21 33 A N S >> S- 0 0 76 -3,-0.3 4,-1.5 -4,-0.2 3,-0.9 -0.345 80.5-122.2 -66.3 141.5 -31.2 -13.2 5.8 22 34 A G H 3> S+ 0 0 52 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.771 108.4 63.3 -52.3 -32.6 -33.0 -13.1 2.5 23 35 A R H 3> S+ 0 0 144 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.918 104.4 45.4 -64.9 -39.8 -31.8 -9.6 1.8 24 36 A Y H <> S+ 0 0 7 -3,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.876 113.2 50.6 -68.4 -35.5 -28.1 -10.8 1.6 25 37 A Q H X S+ 0 0 55 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.890 110.3 49.9 -72.9 -33.0 -29.1 -13.8 -0.5 26 38 A F H X S+ 0 0 103 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.871 108.4 53.2 -68.2 -38.4 -31.0 -11.5 -2.9 27 39 A L H X S+ 0 0 1 -4,-2.0 4,-2.8 -5,-0.2 -2,-0.2 0.941 109.4 48.7 -60.4 -45.2 -28.0 -9.2 -3.1 28 40 A L H X S+ 0 0 5 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.877 109.9 51.5 -62.0 -40.6 -25.8 -12.3 -4.1 29 41 A Q H X S+ 0 0 112 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.923 112.0 47.0 -61.7 -41.9 -28.3 -13.3 -6.7 30 42 A Q H X S+ 0 0 53 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.909 110.1 52.3 -68.1 -42.9 -28.3 -9.8 -8.2 31 43 A I H X S+ 0 0 1 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.929 105.6 55.4 -54.8 -47.7 -24.5 -9.6 -8.1 32 44 A E H X>S+ 0 0 55 -4,-2.4 4,-0.8 1,-0.2 5,-0.6 0.952 109.6 46.5 -54.7 -45.7 -24.4 -13.0 -10.0 33 45 A T H ><5S+ 0 0 103 -4,-1.8 3,-0.7 1,-0.2 -2,-0.2 0.922 113.9 47.4 -62.9 -43.1 -26.6 -11.4 -12.7 34 46 A L H 3<5S+ 0 0 21 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.798 101.2 69.9 -66.1 -23.2 -24.4 -8.2 -12.9 35 47 A S H 3<5S- 0 0 0 -4,-2.1 -1,-0.2 -3,-0.3 -2,-0.2 0.778 86.6-145.9 -68.1 -28.1 -21.2 -10.4 -13.0 36 48 A L T <<5 + 0 0 99 -4,-0.8 -1,-0.1 -3,-0.7 -3,-0.1 0.523 58.3 126.1 67.0 13.9 -21.8 -11.7 -16.5 37 49 A L < - 0 0 29 -5,-0.6 -1,-0.3 1,-0.1 -2,-0.1 -0.698 68.1-107.8-101.2 151.1 -20.2 -15.0 -15.3 38 50 A P > - 0 0 83 0, 0.0 4,-2.4 0, 0.0 3,-0.3 -0.288 44.1-100.6 -55.5 162.4 -21.5 -18.5 -15.4 39 51 A T H > S+ 0 0 91 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.800 119.5 56.2 -57.0 -38.0 -22.5 -19.9 -12.0 40 52 A E H > S+ 0 0 63 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.917 114.0 40.1 -63.0 -41.8 -19.2 -21.9 -11.4 41 53 A Q H > S+ 0 0 78 -3,-0.3 4,-2.8 2,-0.2 5,-0.4 0.882 111.7 54.2 -79.3 -40.8 -17.1 -18.8 -11.9 42 54 A Y H X>S+ 0 0 4 -4,-2.4 5,-2.4 2,-0.2 4,-2.3 0.912 111.9 48.2 -53.3 -45.8 -19.4 -16.4 -10.0 43 55 A A H <>S+ 0 0 35 -4,-2.1 5,-1.6 3,-0.2 -2,-0.2 0.905 114.9 44.4 -61.4 -45.6 -19.2 -18.9 -7.0 44 56 A Q H <5S+ 0 0 86 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.860 128.1 25.5 -63.8 -44.1 -15.4 -19.1 -7.2 45 57 A L H <5S+ 0 0 12 -4,-2.8 4,-0.5 3,-0.1 -3,-0.2 0.910 133.6 20.1 -95.1 -50.6 -14.8 -15.4 -7.6 46 58 A Y T X5S+ 0 0 1 -4,-2.3 4,-2.6 -5,-0.4 -3,-0.2 0.902 123.9 46.0 -92.5 -52.9 -17.7 -13.3 -6.1 47 59 A E H > S+ 0 0 0 -4,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.977 110.4 46.0 -57.3 -53.2 -14.9 -13.3 -1.9 50 62 A V H X S+ 0 0 1 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.923 113.5 48.1 -56.4 -50.3 -18.1 -12.2 0.0 51 63 A Y H X S+ 0 0 63 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.935 113.4 46.8 -58.7 -45.2 -18.0 -15.1 2.4 52 64 A R H X S+ 0 0 93 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.883 113.2 51.2 -64.7 -35.3 -14.3 -14.7 3.2 53 65 A F H X S+ 0 0 2 -4,-2.5 4,-2.6 -5,-0.3 3,-0.3 0.956 112.0 44.4 -62.9 -52.5 -14.9 -10.9 3.7 54 66 A V H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.867 112.0 52.8 -62.4 -41.1 -17.8 -11.4 6.1 55 67 A E H < S+ 0 0 44 -4,-2.3 84,-0.4 -5,-0.3 85,-0.4 0.817 113.0 46.6 -58.3 -39.8 -16.0 -14.1 8.1 56 68 A F H < S+ 0 0 1 -4,-1.4 83,-0.3 -3,-0.3 -2,-0.2 0.922 120.6 33.0 -72.3 -50.9 -13.0 -11.8 8.4 57 69 A V H >< S+ 0 0 0 -4,-2.6 3,-2.1 1,-0.2 -2,-0.2 0.664 83.5 177.9 -85.3 -14.9 -14.8 -8.6 9.5 58 70 A Q T 3< - 0 0 0 -4,-2.3 14,-0.4 -5,-0.3 -1,-0.2 -0.188 67.6 -32.1 46.4-136.1 -17.6 -10.3 11.5 59 71 A V T 3 S+ 0 0 0 12,-0.1 10,-2.5 13,-0.1 11,-0.4 0.196 94.7 143.8 -97.2 19.4 -19.9 -7.7 13.1 60 72 A L < - 0 0 3 -3,-2.1 11,-1.6 8,-0.2 12,-0.5 -0.227 49.4-122.2 -60.9 143.4 -17.2 -5.2 13.6 61 73 A P - 0 0 1 0, 0.0 7,-0.1 0, 0.0 3,-0.1 -0.449 17.5-117.0 -78.7 159.2 -18.2 -1.6 13.2 62 74 A I S S+ 0 0 6 5,-0.4 2,-0.3 1,-0.2 54,-0.1 0.915 103.4 2.4 -62.2 -37.8 -16.6 0.7 10.6 63 75 A R S > S- 0 0 109 4,-0.1 3,-2.2 53,-0.0 -1,-0.2 -0.925 88.6-103.2-144.3 156.7 -15.4 2.9 13.6 64 76 A L T 3 S+ 0 0 51 -2,-0.3 -60,-0.4 1,-0.3 4,-0.1 0.716 119.8 52.6 -67.9 -18.4 -16.0 2.2 17.3 65 77 A D T 3 S+ 0 0 118 -62,-0.1 -1,-0.3 2,-0.1 -62,-0.0 0.216 97.9 89.0 -95.4 14.8 -18.8 4.8 17.6 66 78 A E S < S- 0 0 69 -3,-2.2 -62,-0.4 1,-0.1 3,-0.1 -0.686 88.6 -80.9-106.9 165.1 -20.7 3.2 14.6 67 79 A P > - 0 0 16 0, 0.0 3,-1.7 0, 0.0 -5,-0.4 -0.277 48.4 -99.0 -66.7 145.2 -23.2 0.4 14.6 68 80 A L T 3 S+ 0 0 5 -66,-2.9 -66,-0.3 1,-0.2 -8,-0.2 -0.279 110.6 28.4 -48.5 149.3 -22.3 -3.2 14.8 69 81 A C T 3> S+ 0 0 1 -10,-2.5 4,-2.6 -12,-0.1 -1,-0.2 0.331 85.3 118.0 70.9 -0.4 -22.3 -4.9 11.3 70 82 A S H <> + 0 0 14 -3,-1.7 4,-2.3 -11,-0.4 5,-0.3 0.811 68.7 55.4 -68.5 -29.2 -21.5 -1.6 9.7 71 83 A L H > S+ 0 0 2 -11,-1.6 4,-1.7 -4,-0.2 -1,-0.2 0.975 115.2 37.1 -65.2 -55.8 -18.2 -2.8 8.2 72 84 A M H > S+ 0 0 1 -12,-0.5 4,-2.4 -14,-0.4 -2,-0.2 0.931 119.7 48.0 -62.9 -41.9 -19.7 -5.7 6.4 73 85 A N H X S+ 0 0 15 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.925 112.3 46.3 -71.4 -43.4 -23.0 -3.9 5.4 74 86 A E H X S+ 0 0 78 -4,-2.3 4,-2.6 -5,-0.2 5,-0.2 0.896 113.4 52.9 -63.7 -32.7 -21.3 -0.7 4.0 75 87 A G H X S+ 0 0 0 -4,-1.7 4,-2.3 -5,-0.3 -2,-0.2 0.941 111.5 43.9 -64.2 -48.5 -18.9 -3.0 2.2 76 88 A L H X S+ 0 0 2 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.929 116.2 46.7 -68.1 -41.4 -21.7 -5.0 0.6 77 89 A L H X S+ 0 0 19 -4,-2.6 4,-2.9 2,-0.2 5,-0.5 0.916 112.0 50.3 -62.7 -46.7 -23.7 -1.9 -0.3 78 90 A R H X S+ 0 0 14 -4,-2.6 4,-1.9 -5,-0.2 5,-0.3 0.914 114.1 46.5 -60.3 -43.1 -20.8 -0.1 -1.7 79 91 A G H X S+ 0 0 0 -4,-2.3 4,-1.6 26,-0.3 -2,-0.2 0.923 118.9 36.6 -64.1 -49.4 -19.9 -3.1 -3.8 80 92 A V H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.902 121.5 45.1 -75.6 -39.5 -23.4 -3.9 -5.2 81 93 A N H X S+ 0 0 9 -4,-2.9 4,-2.7 -5,-0.3 5,-0.2 0.922 114.0 47.0 -76.6 -44.0 -24.5 -0.3 -5.6 82 94 A S H X S+ 0 0 0 -4,-1.9 4,-3.1 -5,-0.5 5,-0.2 0.948 114.0 49.7 -55.8 -47.2 -21.3 1.1 -7.2 83 95 A L H X S+ 0 0 0 -4,-1.6 4,-1.9 -5,-0.3 -2,-0.2 0.889 112.0 47.6 -60.9 -43.2 -21.3 -1.9 -9.6 84 96 A N H X S+ 0 0 21 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.951 115.0 45.6 -62.2 -45.9 -24.9 -1.4 -10.5 85 97 A H H X S+ 0 0 19 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.959 111.9 50.2 -65.2 -51.2 -24.4 2.4 -11.1 86 98 A Y H X S+ 0 0 12 -4,-3.1 4,-1.8 2,-0.2 -1,-0.2 0.888 110.9 50.0 -47.7 -49.3 -21.2 1.9 -13.1 87 99 A I H < S+ 0 0 13 -4,-1.9 -1,-0.2 -5,-0.2 6,-0.2 0.916 105.8 55.7 -61.7 -41.5 -22.9 -0.7 -15.4 88 100 A Q H < S+ 0 0 120 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.895 115.3 39.2 -62.3 -33.8 -25.8 1.6 -16.0 89 101 A N H < S+ 0 0 91 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.747 128.9 32.1 -80.6 -24.8 -23.3 4.3 -17.2 90 102 A H >< + 0 0 67 -4,-1.8 3,-2.0 -5,-0.2 -1,-0.2 -0.766 63.4 174.3-135.9 79.3 -21.0 1.8 -19.0 91 103 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.720 81.9 59.5 -63.3 -20.6 -23.1 -1.1 -20.5 92 104 A E T 3 S+ 0 0 129 -3,-0.1 -5,-0.1 -5,-0.1 -3,-0.0 0.337 72.2 138.9 -87.2 3.4 -20.0 -2.4 -22.2 93 105 A A < - 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