==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 01-DEC-11 3UWC . COMPND 2 MOLECULE: NUCLEOTIDE-SUGAR AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: COXIELLA BURNETII; . AUTHOR J.CHEUNG,M.FRANKLIN,M.RUDOLPH,M.CASSIDY,E.GARY,F.BURSHTEYN,J . 371 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16691.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 263 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 10.0 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 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 . 26 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.9 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 0 2 4 1 0 2 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 2 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 PARALLEL BRIDGES PER LADDER . 4 4 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 2 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 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 0 100 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 138.9 9.6 54.8 -4.8 2 2 A R - 0 0 124 302,-0.1 302,-0.2 303,-0.0 301,-0.1 -0.969 360.0-164.6-108.5 126.9 10.1 51.1 -5.4 3 3 A V B -a 304 0A 0 300,-3.4 302,-2.4 -2,-0.5 2,-0.1 -0.932 14.9-137.6-117.3 111.8 9.7 49.0 -2.3 4 4 A P - 0 0 28 0, 0.0 300,-0.0 0, 0.0 -2,-0.0 -0.330 10.0-153.6 -73.0 144.2 11.1 45.4 -2.5 5 5 A Y S S+ 0 0 23 339,-0.1 2,-0.3 301,-0.1 340,-0.3 0.879 83.4 66.3 -75.5 -42.7 9.2 42.4 -1.1 6 6 A S - 0 0 30 1,-0.1 3,-0.1 338,-0.1 4,-0.1 -0.628 56.4-173.8 -87.6 139.5 12.5 40.5 -0.8 7 7 A Y > + 0 0 13 -2,-0.3 4,-3.3 1,-0.1 3,-0.5 0.308 56.6 106.1-107.2 2.7 15.2 41.7 1.7 8 8 A L H > S+ 0 0 52 1,-0.3 4,-2.1 2,-0.2 -1,-0.1 0.874 77.2 51.8 -58.4 -42.4 17.9 39.2 0.6 9 9 A E H 4 S+ 0 0 145 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.869 117.7 40.2 -61.4 -36.3 20.1 41.7 -1.2 10 10 A R H >4 S+ 0 0 91 -3,-0.5 3,-1.4 2,-0.2 4,-0.4 0.898 112.0 54.7 -77.1 -44.2 20.0 43.9 1.9 11 11 A Q H 3< S+ 0 0 14 -4,-3.3 3,-0.3 1,-0.3 -2,-0.2 0.869 118.1 34.5 -59.7 -38.9 20.4 41.1 4.4 12 12 A F T 3< S+ 0 0 27 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.032 83.8 107.5-108.5 26.7 23.5 39.7 2.8 13 13 A A S < S+ 0 0 74 -3,-1.4 2,-1.8 1,-0.2 3,-0.2 0.877 73.8 62.0 -69.1 -38.1 25.0 43.0 1.6 14 14 A D S S+ 0 0 121 -4,-0.4 4,-0.3 -3,-0.3 -1,-0.2 -0.606 74.5 153.7 -84.4 78.0 27.7 42.8 4.4 15 15 A I >> + 0 0 47 -2,-1.8 4,-2.1 1,-0.2 3,-0.8 0.744 40.3 80.5 -87.7 -27.3 28.9 39.6 2.8 16 16 A E H 3> S+ 0 0 101 1,-0.3 4,-3.5 -3,-0.2 5,-0.2 0.850 88.1 56.4 -58.5 -40.6 32.6 39.3 3.7 17 17 A P H 3> S+ 0 0 30 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.892 110.2 47.6 -57.1 -38.3 32.1 37.9 7.2 18 18 A Y H <> S+ 0 0 9 -3,-0.8 4,-2.2 -4,-0.3 -2,-0.2 0.927 113.5 46.3 -65.3 -46.4 30.1 35.1 5.7 19 19 A L H X S+ 0 0 65 -4,-2.1 4,-3.0 1,-0.2 -1,-0.2 0.881 110.6 54.0 -64.0 -37.4 32.7 34.5 3.0 20 20 A N H X S+ 0 0 69 -4,-3.5 4,-1.8 -5,-0.2 -1,-0.2 0.897 108.1 49.6 -61.0 -42.2 35.4 34.6 5.8 21 21 A D H X S+ 0 0 46 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.899 112.8 47.5 -61.7 -43.2 33.5 31.9 7.7 22 22 A L H X S+ 0 0 32 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.923 105.7 58.4 -64.1 -44.6 33.3 29.8 4.5 23 23 A R H X S+ 0 0 126 -4,-3.0 4,-0.9 1,-0.2 -1,-0.2 0.907 113.0 39.4 -51.9 -44.4 37.0 30.3 3.8 24 24 A E H X S+ 0 0 100 -4,-1.8 4,-0.7 1,-0.2 -1,-0.2 0.868 113.4 55.5 -75.5 -35.8 37.8 28.8 7.2 25 25 A F H >X>S+ 0 0 10 -4,-2.3 3,-1.4 1,-0.2 4,-0.8 0.919 101.1 57.2 -62.6 -42.9 35.2 26.1 6.9 26 26 A I H ><5S+ 0 0 83 -4,-2.9 3,-0.9 1,-0.3 -1,-0.2 0.855 97.4 63.0 -60.6 -33.9 36.5 24.8 3.6 27 27 A K H 3<5S+ 0 0 153 -4,-0.9 -1,-0.3 -5,-0.3 -2,-0.2 0.819 102.6 50.6 -58.7 -30.7 39.9 24.1 5.2 28 28 A T H <<5S- 0 0 86 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.696 90.4-152.2 -80.4 -20.5 38.2 21.6 7.5 29 29 A A T <<5 + 0 0 61 -3,-0.9 2,-1.7 -4,-0.8 3,-0.3 0.744 41.7 149.4 53.7 26.9 36.4 19.8 4.6 30 30 A D < + 0 0 59 -5,-0.6 4,-0.3 1,-0.2 6,-0.2 -0.331 9.8 144.7 -88.7 56.1 33.7 18.9 7.2 31 31 A F + 0 0 100 -2,-1.7 200,-1.2 2,-0.1 2,-0.6 0.781 49.6 60.7 -70.2 -31.7 31.0 18.8 4.6 32 32 A T S S- 0 0 84 -3,-0.3 -1,-0.1 1,-0.2 198,-0.1 -0.885 124.8 -30.6-113.4 117.5 28.7 16.0 5.8 33 33 A L S S+ 0 0 52 -2,-0.6 -1,-0.2 196,-0.4 -2,-0.1 0.912 95.0 171.2 47.8 52.3 27.0 15.9 9.2 34 34 A G >> - 0 0 7 -4,-0.3 4,-1.5 -3,-0.2 3,-0.8 -0.161 49.9 -88.1 -91.9-178.2 29.8 18.0 10.5 35 35 A A H 3> S+ 0 0 67 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.849 122.4 58.8 -57.8 -38.4 30.6 19.8 13.8 36 36 A E H 3> S+ 0 0 64 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.843 102.8 53.8 -63.8 -32.4 28.9 23.0 12.6 37 37 A L H <> S+ 0 0 2 -3,-0.8 4,-2.9 2,-0.2 -1,-0.2 0.922 108.6 47.9 -68.0 -43.8 25.6 21.2 12.1 38 38 A E H X S+ 0 0 102 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.903 110.9 52.1 -62.3 -39.4 25.6 19.9 15.6 39 39 A K H X S+ 0 0 93 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.956 111.9 46.4 -60.2 -48.1 26.5 23.4 16.9 40 40 A F H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.935 110.9 51.6 -58.0 -50.8 23.5 24.8 14.9 41 41 A E H X S+ 0 0 9 -4,-2.9 4,-3.0 1,-0.2 5,-0.3 0.901 108.8 50.6 -56.0 -45.0 21.1 22.1 16.1 42 42 A K H X S+ 0 0 137 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.904 113.4 45.5 -61.7 -40.4 22.0 22.7 19.7 43 43 A R H X S+ 0 0 71 -4,-1.9 4,-1.6 -5,-0.2 -2,-0.2 0.913 114.3 48.5 -68.3 -42.1 21.4 26.4 19.3 44 44 A F H X S+ 0 0 0 -4,-2.9 4,-0.8 2,-0.2 -2,-0.2 0.904 111.3 48.8 -66.8 -44.2 18.1 25.9 17.4 45 45 A A H ><>S+ 0 0 5 -4,-3.0 5,-2.5 -5,-0.2 3,-1.1 0.925 110.3 52.9 -57.0 -45.5 16.8 23.4 19.9 46 46 A A H ><5S+ 0 0 63 -4,-1.9 3,-1.7 -5,-0.3 -2,-0.2 0.831 98.2 64.6 -61.9 -33.2 17.6 25.8 22.7 47 47 A L H 3<5S+ 0 0 31 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.797 111.7 36.1 -59.1 -30.0 15.7 28.6 21.0 48 48 A H T <<5S- 0 0 3 -3,-1.1 -1,-0.3 -4,-0.8 120,-0.2 0.104 113.9-114.4-111.3 19.9 12.5 26.6 21.5 49 49 A N T < 5S+ 0 0 119 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.893 72.0 137.7 46.6 47.2 13.5 25.2 24.9 50 50 A A < - 0 0 12 -5,-2.5 -1,-0.2 -6,-0.1 -2,-0.1 -0.893 58.2-135.2-120.1 152.7 13.5 21.7 23.4 51 51 A P S S+ 0 0 73 0, 0.0 2,-0.4 0, 0.0 147,-0.2 0.790 84.0 38.3 -78.2 -25.9 16.1 19.0 24.0 52 52 A H E +B 197 0B 32 145,-1.2 145,-1.5 -7,-0.1 2,-0.4 -0.984 49.9 177.2-134.1 133.9 16.6 17.9 20.4 53 53 A A E -B 196 0B 2 -2,-0.4 2,-0.5 143,-0.2 143,-0.2 -1.000 12.3-164.0-127.5 135.0 16.8 19.5 16.9 54 54 A I E -B 195 0B 0 141,-3.1 141,-2.5 -2,-0.4 2,-0.4 -0.965 13.6-141.9-121.4 114.0 17.5 17.4 13.8 55 55 A G E +B 194 0B 0 -2,-0.5 174,-1.3 139,-0.2 139,-0.3 -0.616 30.5 172.1 -77.7 125.8 18.6 19.2 10.7 56 56 A V E -BC 193 228B 0 137,-2.5 137,-2.7 -2,-0.4 172,-0.3 -0.671 44.5 -88.4-128.2-177.7 17.1 17.6 7.6 57 57 A G S S- 0 0 18 170,-0.6 2,-0.3 135,-0.2 173,-0.1 0.861 96.2 -13.2 -65.1 -41.7 16.9 18.3 3.8 58 58 A T > - 0 0 29 134,-0.2 4,-1.9 169,-0.1 135,-0.4 -0.963 62.8-108.0-153.5 164.3 13.8 20.5 3.7 59 59 A G H > S+ 0 0 4 133,-0.4 4,-2.0 -2,-0.3 5,-0.2 0.864 119.9 55.0 -64.5 -36.5 10.8 21.5 5.8 60 60 A T H > S+ 0 0 42 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.935 109.4 46.6 -61.9 -45.6 8.5 19.4 3.6 61 61 A D H > S+ 0 0 35 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.878 105.5 61.1 -63.2 -37.5 10.7 16.4 4.3 62 62 A A H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.942 108.6 42.8 -54.6 -48.5 10.7 17.3 8.0 63 63 A L H X S+ 0 0 2 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.940 115.1 48.4 -63.0 -49.3 7.0 16.8 8.1 64 64 A A H X S+ 0 0 9 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.895 111.8 49.9 -60.8 -40.0 7.0 13.6 6.0 65 65 A X H X S+ 0 0 3 -4,-3.2 4,-2.2 2,-0.2 -1,-0.2 0.851 106.3 56.6 -67.0 -35.1 9.8 12.1 8.2 66 66 A S H X S+ 0 0 0 -4,-1.8 4,-1.4 -5,-0.3 -2,-0.2 0.929 107.9 47.6 -60.9 -45.3 7.8 12.9 11.3 67 67 A F H <>S+ 0 0 0 -4,-2.0 5,-2.8 1,-0.2 3,-0.2 0.911 108.6 55.2 -61.9 -41.5 4.9 10.9 9.9 68 68 A K H ><5S+ 0 0 118 -4,-2.1 3,-1.8 1,-0.2 -2,-0.2 0.923 105.3 52.2 -55.0 -46.3 7.3 8.1 9.1 69 69 A X H 3<5S+ 0 0 22 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.834 110.5 48.9 -60.5 -33.1 8.4 8.0 12.7 70 70 A L T 3<5S- 0 0 11 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.352 114.7-116.5 -88.4 4.4 4.8 7.7 13.9 71 71 A N T < 5 + 0 0 143 -3,-1.8 2,-0.6 -4,-0.2 -3,-0.2 0.857 64.1 150.9 61.5 34.9 4.1 4.9 11.4 72 72 A I < + 0 0 6 -5,-2.8 -1,-0.2 -6,-0.1 25,-0.2 -0.895 23.3 96.0-102.2 121.1 1.6 7.2 9.7 73 73 A G > + 0 0 11 -2,-0.6 3,-2.4 1,-0.3 25,-0.3 -0.596 60.8 27.8-165.7-137.2 1.2 6.3 6.0 74 74 A A T 3 S+ 0 0 90 21,-0.3 -1,-0.3 1,-0.3 23,-0.2 -0.202 124.2 14.9 -52.3 131.3 -0.9 4.3 3.6 75 75 A G T 3 S+ 0 0 48 21,-0.5 2,-0.3 1,-0.3 -1,-0.3 0.357 104.0 110.4 87.5 -5.9 -4.4 4.0 4.8 76 76 A D < - 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