==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-SEP-05 2C0S . COMPND 2 MOLECULE: CONSERVED DOMAIN PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR R.GRENHA,N.J.RZECHORZEK,J.A.BRANNIGAN,E.AB,G.E.FOLKERS, . 64 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5399.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 49 76.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 1.6 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 . 2 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 41 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.6 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 105 0, 0.0 2,-0.4 0, 0.0 61,-0.1 0.000 360.0 360.0 360.0 -12.8 11.3 -5.5 3.1 2 2 A N > - 0 0 69 1,-0.1 4,-2.0 57,-0.0 3,-0.1 -0.987 360.0-149.8-127.5 131.7 10.5 -6.6 -0.4 3 3 A V H > S+ 0 0 71 -2,-0.4 4,-2.9 1,-0.2 5,-0.1 0.816 97.5 52.1 -69.8 -31.6 8.9 -4.3 -3.1 4 4 A T H > S+ 0 0 95 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.842 110.6 49.7 -77.7 -27.2 7.0 -7.0 -5.0 5 5 A K H > S+ 0 0 120 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.905 111.1 50.0 -69.4 -41.1 5.5 -8.2 -1.7 6 6 A L H X S+ 0 0 11 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.957 110.1 49.7 -59.2 -50.5 4.6 -4.6 -1.0 7 7 A N H X S+ 0 0 72 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.868 110.9 51.8 -55.0 -39.9 3.1 -4.3 -4.5 8 8 A D H X S+ 0 0 57 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.915 106.8 50.6 -65.4 -47.2 1.1 -7.5 -3.8 9 9 A R H X S+ 0 0 147 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.790 111.8 49.5 -63.5 -28.3 -0.3 -6.2 -0.5 10 10 A I H X S+ 0 0 3 -4,-1.7 4,-2.7 -5,-0.2 -2,-0.2 0.930 110.4 50.6 -71.1 -45.7 -1.4 -3.2 -2.4 11 11 A E H X S+ 0 0 104 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.907 111.9 46.6 -58.0 -47.1 -3.0 -5.4 -5.1 12 12 A A H X S+ 0 0 53 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.850 111.7 51.5 -65.4 -33.5 -4.8 -7.4 -2.5 13 13 A K H X S+ 0 0 40 -4,-1.2 4,-2.9 -5,-0.2 -2,-0.2 0.880 106.5 54.1 -76.1 -37.0 -6.0 -4.2 -0.7 14 14 A K H X S+ 0 0 100 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.955 112.0 45.1 -53.1 -52.7 -7.3 -2.8 -4.0 15 15 A K H X S+ 0 0 137 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.870 113.4 49.4 -62.3 -40.6 -9.3 -6.0 -4.5 16 16 A E H X S+ 0 0 94 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.928 110.5 50.7 -63.7 -43.9 -10.5 -5.9 -0.9 17 17 A L H X S+ 0 0 14 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.921 108.1 52.7 -60.5 -46.0 -11.5 -2.2 -1.3 18 18 A I H X S+ 0 0 86 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.909 108.7 50.7 -56.3 -44.4 -13.5 -3.0 -4.5 19 19 A Y H X S+ 0 0 133 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.888 110.1 49.6 -61.8 -39.8 -15.4 -5.7 -2.6 20 20 A L H X>S+ 0 0 28 -4,-2.0 4,-3.3 1,-0.2 5,-1.2 0.820 103.8 59.0 -71.9 -31.3 -16.1 -3.2 0.2 21 21 A V H <5S+ 0 0 41 -4,-2.0 -1,-0.2 3,-0.2 -2,-0.2 0.882 105.3 51.8 -63.4 -36.0 -17.4 -0.6 -2.4 22 22 A E H <5S+ 0 0 152 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.907 119.8 32.3 -68.1 -43.6 -19.9 -3.2 -3.5 23 23 A K H <5S+ 0 0 135 -4,-1.5 -2,-0.2 2,-0.1 -1,-0.2 0.862 138.1 15.3 -82.9 -38.6 -21.2 -3.8 0.1 24 24 A Y T <5S- 0 0 128 -4,-3.3 -3,-0.2 -5,-0.1 -2,-0.1 0.791 101.1-118.4-107.3 -38.5 -20.8 -0.5 1.7 25 25 A G > < - 0 0 22 -5,-1.2 3,-1.3 1,-0.1 6,-0.3 -0.144 25.6 -91.0 106.6 154.4 -20.3 2.1 -1.0 26 26 A F T 3 S+ 0 0 118 1,-0.3 -1,-0.1 -5,-0.2 -5,-0.1 0.695 123.1 62.3 -76.0 -16.6 -17.3 4.3 -1.7 27 27 A T T 3 S+ 0 0 128 -6,-0.1 2,-0.3 -3,-0.1 -1,-0.3 0.467 80.4 112.1 -86.4 -1.7 -18.9 7.1 0.4 28 28 A H S <> S- 0 0 53 -3,-1.3 4,-2.5 1,-0.1 3,-0.3 -0.583 75.4-126.3 -78.6 136.4 -18.6 4.8 3.5 29 29 A H H > S+ 0 0 151 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.828 108.4 48.8 -49.2 -46.5 -16.1 5.9 6.2 30 30 A K H > S+ 0 0 119 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.920 111.4 49.3 -65.3 -40.3 -14.3 2.6 6.2 31 31 A V H > S+ 0 0 0 -3,-0.3 4,-1.9 -6,-0.3 -2,-0.2 0.900 112.3 48.9 -67.1 -38.5 -14.0 2.5 2.5 32 32 A I H X S+ 0 0 72 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.959 113.4 46.3 -62.9 -49.7 -12.6 6.0 2.5 33 33 A S H X S+ 0 0 52 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.863 112.1 50.1 -64.8 -36.7 -10.1 5.2 5.2 34 34 A F H X S+ 0 0 57 -4,-2.8 4,-2.9 2,-0.2 -1,-0.2 0.863 107.4 55.4 -69.4 -32.6 -9.0 2.0 3.5 35 35 A S H X S+ 0 0 28 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.889 107.3 49.2 -64.8 -37.0 -8.6 4.1 0.3 36 36 A Q H X S+ 0 0 115 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.877 112.7 48.2 -66.7 -37.3 -6.2 6.4 2.3 37 37 A E H X S+ 0 0 59 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.898 111.0 49.2 -68.8 -42.0 -4.4 3.3 3.5 38 38 A L H X S+ 0 0 24 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.912 111.0 51.3 -63.2 -41.5 -4.2 1.9 -0.1 39 39 A D H X S+ 0 0 102 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.877 104.9 58.1 -60.8 -40.2 -2.9 5.3 -1.1 40 40 A R H X S+ 0 0 145 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.911 110.1 41.2 -59.3 -46.5 -0.3 5.1 1.6 41 41 A L H X S+ 0 0 30 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.862 114.2 52.1 -72.0 -34.0 1.2 1.9 0.3 42 42 A L H X S+ 0 0 75 -4,-2.2 4,-1.3 1,-0.2 3,-0.3 0.902 108.5 52.5 -64.8 -40.1 0.9 3.2 -3.3 43 43 A N H X S+ 0 0 71 -4,-2.9 4,-3.4 1,-0.2 -2,-0.2 0.856 100.2 62.9 -60.6 -38.8 2.8 6.2 -2.1 44 44 A L H X S+ 0 0 24 -4,-1.6 4,-2.9 2,-0.2 5,-0.4 0.872 98.3 55.4 -56.0 -40.7 5.4 3.9 -0.6 45 45 A L H X S+ 0 0 39 -4,-1.2 4,-1.8 -3,-0.3 -1,-0.2 0.953 115.1 38.2 -57.2 -48.5 6.2 2.7 -4.1 46 46 A I H X S+ 0 0 104 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.914 116.5 52.7 -69.4 -43.4 6.8 6.3 -5.2 47 47 A E H X S+ 0 0 95 -4,-3.4 4,-1.0 2,-0.2 -2,-0.2 0.937 113.6 39.8 -62.5 -50.7 8.5 7.3 -2.0 48 48 A L H X S+ 0 0 14 -4,-2.9 4,-3.1 1,-0.2 3,-0.4 0.896 117.3 50.1 -70.7 -34.7 11.1 4.6 -1.9 49 49 A K H < S+ 0 0 146 -4,-1.8 -1,-0.2 -5,-0.4 -2,-0.2 0.803 106.5 55.5 -70.5 -29.5 11.7 4.7 -5.6 50 50 A T H < S+ 0 0 114 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.732 119.8 32.5 -76.5 -21.3 12.2 8.5 -5.5 51 51 A K H < S+ 0 0 91 -4,-1.0 2,-2.1 -3,-0.4 -2,-0.2 0.901 72.5 151.1 -90.1 -61.4 14.9 8.0 -2.8 52 52 A K < + 0 0 150 -4,-3.1 5,-0.1 1,-0.2 -3,-0.1 0.029 58.8 83.3 49.8 -23.4 16.4 4.6 -4.0 53 53 A K S S+ 0 0 182 -2,-2.1 2,-0.4 -3,-0.1 -1,-0.2 0.201 78.9 84.8 -86.1 13.0 19.7 5.7 -2.5 54 54 A R S > S- 0 0 113 -6,-0.3 3,-2.5 1,-0.1 4,-0.3 -0.935 82.5-130.6-122.4 143.7 18.6 4.5 0.8 55 55 A Y G >> S+ 0 0 162 -2,-0.4 4,-2.8 1,-0.3 3,-2.6 0.785 105.6 80.4 -54.1 -28.5 18.6 1.1 2.5 56 56 A S G 34 S+ 0 0 22 1,-0.3 -1,-0.3 2,-0.3 -8,-0.1 0.680 72.4 74.7 -51.2 -24.6 15.0 2.0 3.1 57 57 A L G <4 S+ 0 0 49 -3,-2.5 -1,-0.3 2,-0.1 3,-0.2 0.816 117.2 19.8 -61.9 -28.2 14.3 0.9 -0.5 58 58 A L T X4 S+ 0 0 94 -3,-2.6 2,-2.1 -4,-0.3 3,-0.6 0.806 128.3 51.0-100.2 -58.8 14.7 -2.5 0.9 59 59 A E T 3< + 0 0 49 -4,-2.8 3,-0.2 1,-0.2 -2,-0.1 -0.399 66.1 122.8 -85.3 62.4 14.1 -1.8 4.6 60 60 A H T 3 S+ 0 0 34 -2,-2.1 2,-0.3 1,-0.5 -1,-0.2 0.683 91.3 16.4 -87.4 -26.7 10.9 0.1 4.2 61 61 A H S < S+ 0 0 94 -3,-0.6 -1,-0.5 1,-0.5 -59,-0.0 -0.940 132.9 19.6-146.3 126.1 9.2 -2.4 6.5 62 62 A H S S- 0 0 119 -2,-0.3 -1,-0.5 -3,-0.2 2,-0.3 0.558 80.9-129.0 75.9 130.2 11.6 -4.6 8.6 63 63 A H 0 0 143 1,-0.2 -3,-0.1 -3,-0.1 -7,-0.0 -0.755 360.0 360.0-112.1 158.3 15.1 -3.4 9.1 64 64 A H 0 0 145 -2,-0.3 -1,-0.2 -5,-0.1 -2,-0.0 0.811 360.0 360.0 -99.3 360.0 18.4 -5.0 8.6