==== 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 HYDROLASE 07-DEC-04 1Y6X . COMPND 2 MOLECULE: PHOSPHORIBOSYL-ATP PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR F.JAVID-MAJD,J.C.SACCHETTINI,TB STRUCTURAL GENOMICS CONSORTI . 87 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6211.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 68 78.2 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 . 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 . 1 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 59 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 1 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 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 7 A V 0 0 131 0, 0.0 3,-0.1 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 123.3 8.0 26.3 4.6 2 8 A K + 0 0 169 1,-0.3 2,-0.3 2,-0.0 3,-0.0 0.673 360.0 17.3-104.8 -28.0 4.8 28.3 4.8 3 9 A T S >> S- 0 0 71 1,-0.1 4,-1.1 0, 0.0 3,-0.8 -0.938 79.4-106.7-142.0 162.1 2.8 26.7 2.0 4 10 A F H 3> S+ 0 0 61 -2,-0.3 4,-1.9 1,-0.3 3,-0.2 0.891 121.3 59.1 -54.9 -39.0 2.8 23.6 -0.0 5 11 A E H 3> S+ 0 0 116 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.790 93.5 63.3 -63.2 -32.6 4.1 25.8 -2.8 6 12 A D H <> S+ 0 0 49 -3,-0.8 4,-1.9 1,-0.2 -1,-0.2 0.945 108.4 42.2 -59.1 -47.3 7.2 26.9 -0.9 7 13 A L H X S+ 0 0 31 -4,-1.1 4,-2.7 -3,-0.2 5,-0.2 0.917 112.5 54.4 -63.2 -41.4 8.5 23.3 -0.8 8 14 A F H X S+ 0 0 33 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.915 109.2 47.1 -62.6 -42.3 7.5 22.8 -4.5 9 15 A A H X S+ 0 0 60 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.888 111.5 52.6 -63.3 -41.5 9.5 25.8 -5.6 10 16 A E H X S+ 0 0 79 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.935 108.8 48.0 -58.7 -48.9 12.4 24.7 -3.6 11 17 A L H X S+ 0 0 4 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.883 109.4 53.6 -66.1 -35.5 12.4 21.2 -5.1 12 18 A G H X S+ 0 0 20 -4,-2.0 4,-1.4 -5,-0.2 -1,-0.2 0.885 109.0 49.7 -61.1 -39.4 12.2 22.8 -8.6 13 19 A D H X S+ 0 0 61 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.904 108.8 52.3 -64.1 -43.0 15.3 24.8 -7.7 14 20 A R H X S+ 0 0 78 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.879 107.1 52.5 -61.3 -39.0 17.1 21.7 -6.6 15 21 A A H < S+ 0 0 34 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.844 113.8 44.6 -65.2 -33.3 16.2 20.0 -9.9 16 22 A R H < S+ 0 0 187 -4,-1.4 -2,-0.2 -5,-0.1 -1,-0.2 0.938 123.1 32.3 -72.5 -50.4 17.8 23.0 -11.7 17 23 A T H < S- 0 0 84 -4,-2.8 -2,-0.2 -5,-0.1 -3,-0.2 0.696 88.3-151.5 -88.4 -21.6 20.9 23.5 -9.7 18 24 A R < - 0 0 130 -4,-2.4 -3,-0.1 -5,-0.3 2,-0.1 0.927 17.0-165.4 51.3 61.6 21.5 19.8 -8.8 19 25 A P > - 0 0 47 0, 0.0 3,-1.6 0, 0.0 6,-0.2 -0.438 29.2-117.5 -76.4 153.1 23.3 20.2 -5.4 20 26 A A T 3 S+ 0 0 116 1,-0.3 -2,-0.0 -2,-0.1 0, 0.0 0.800 111.3 55.4 -57.9 -30.3 25.2 17.3 -3.9 21 27 A D T 3 S+ 0 0 153 4,-0.0 2,-0.6 2,-0.0 -1,-0.3 0.474 79.8 112.5 -84.1 -4.1 22.9 17.3 -0.9 22 28 A S <> - 0 0 19 -3,-1.6 4,-1.1 1,-0.2 3,-0.3 -0.619 44.8-169.4 -87.0 116.5 19.5 17.0 -2.7 23 29 A T H > S+ 0 0 81 -2,-0.6 4,-2.2 1,-0.2 5,-0.2 0.838 89.3 63.9 -60.8 -35.3 17.5 13.8 -2.3 24 30 A T H > S+ 0 0 1 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.878 96.2 57.0 -58.8 -40.2 15.2 15.0 -5.1 25 31 A V H > S+ 0 0 16 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.951 110.3 41.5 -59.4 -54.1 18.1 14.9 -7.6 26 32 A A H X S+ 0 0 68 -4,-1.1 4,-1.4 1,-0.2 -1,-0.2 0.895 116.4 51.0 -60.2 -41.5 18.8 11.2 -7.1 27 33 A A H < S+ 0 0 16 -4,-2.2 4,-0.5 2,-0.2 -2,-0.2 0.888 111.0 47.2 -64.2 -41.6 15.1 10.5 -7.0 28 34 A L H >< S+ 0 0 40 -4,-3.0 3,-0.6 1,-0.2 -2,-0.2 0.874 114.3 47.1 -69.1 -38.0 14.4 12.3 -10.2 29 35 A D H 3< S+ 0 0 99 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.763 105.4 65.4 -66.5 -27.0 17.4 10.6 -12.0 30 36 A G T 3< S- 0 0 54 -4,-1.4 4,-0.3 -5,-0.2 -1,-0.2 0.511 104.4-111.1 -84.6 -10.5 16.2 7.3 -10.6 31 37 A G <> - 0 0 32 -3,-0.6 4,-1.0 -4,-0.5 3,-0.3 0.094 24.1 -82.1 99.0 156.1 12.8 6.8 -12.4 32 38 A V H > S+ 0 0 77 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.801 114.6 65.0 -65.3 -34.8 9.1 6.8 -11.7 33 39 A H H > S+ 0 0 146 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.922 103.8 46.3 -59.7 -45.0 8.8 3.2 -10.4 34 40 A A H > S+ 0 0 58 -3,-0.3 4,-2.1 -4,-0.3 -1,-0.2 0.827 111.2 53.8 -65.8 -33.7 11.0 3.8 -7.4 35 41 A L H X S+ 0 0 4 -4,-1.0 4,-2.4 2,-0.2 -2,-0.2 0.904 107.7 49.1 -68.1 -43.2 9.1 7.0 -6.6 36 42 A G H X S+ 0 0 33 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.906 111.1 50.8 -60.6 -42.2 5.7 5.2 -6.7 37 43 A K H X S+ 0 0 138 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.924 110.6 48.5 -60.1 -46.8 7.2 2.5 -4.4 38 44 A K H X S+ 0 0 70 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.905 110.4 51.4 -61.1 -43.7 8.4 5.2 -1.9 39 45 A L H X S+ 0 0 44 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.911 110.8 48.0 -60.3 -44.4 5.1 6.9 -1.9 40 46 A L H X S+ 0 0 137 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.924 110.1 52.3 -63.7 -45.3 3.2 3.7 -1.2 41 47 A E H X S+ 0 0 89 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.923 110.3 49.1 -51.5 -47.8 5.7 2.9 1.7 42 48 A E H X S+ 0 0 12 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.869 105.3 56.2 -67.5 -35.7 5.1 6.3 3.2 43 49 A A H X S+ 0 0 42 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.899 108.8 48.9 -60.1 -39.5 1.3 5.9 3.0 44 50 A G H X S+ 0 0 34 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.917 110.4 50.0 -63.8 -44.5 1.8 2.7 5.0 45 51 A E H X S+ 0 0 77 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.884 109.9 51.9 -60.3 -41.1 3.9 4.6 7.5 46 52 A V H X S+ 0 0 25 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.921 109.2 49.3 -61.9 -44.0 1.3 7.3 7.7 47 53 A W H X S+ 0 0 174 -4,-2.2 4,-2.0 2,-0.2 5,-0.2 0.954 111.5 49.0 -61.3 -49.6 -1.4 4.7 8.5 48 54 A L H X S+ 0 0 103 -4,-2.6 4,-2.0 1,-0.2 5,-0.3 0.928 114.5 45.5 -53.0 -47.4 0.7 3.1 11.2 49 55 A A H X S+ 0 0 4 -4,-2.4 4,-2.2 1,-0.2 9,-0.2 0.883 110.0 54.0 -67.4 -37.9 1.4 6.5 12.8 50 56 A A H < S+ 0 0 63 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.845 117.3 37.6 -63.3 -35.8 -2.3 7.6 12.5 51 57 A E H < S+ 0 0 118 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.782 136.6 9.9 -82.4 -33.6 -3.4 4.5 14.4 52 58 A H H < S+ 0 0 134 -4,-2.0 -3,-0.2 -5,-0.2 2,-0.2 0.514 105.3 73.1-133.7 -8.7 -0.6 4.1 16.9 53 59 A E S < S- 0 0 125 -4,-2.2 -4,-0.0 -5,-0.3 0, 0.0 -0.598 76.1 -81.5-120.1 175.0 1.8 7.0 17.2 54 60 A S > - 0 0 68 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.155 41.4-107.5 -68.9 162.6 2.0 10.5 18.5 55 61 A N H > S+ 0 0 149 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.889 122.3 52.0 -54.0 -42.0 0.8 13.7 16.8 56 62 A D H > S+ 0 0 129 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.908 108.4 49.1 -63.0 -44.6 4.5 14.6 16.1 57 63 A A H > S+ 0 0 27 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.909 112.6 48.6 -62.8 -41.4 5.3 11.2 14.6 58 64 A L H X S+ 0 0 44 -4,-2.5 4,-2.9 -9,-0.2 5,-0.2 0.921 109.4 51.7 -64.3 -43.5 2.2 11.4 12.4 59 65 A A H X S+ 0 0 55 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.897 109.0 52.6 -59.1 -40.9 3.2 14.9 11.3 60 66 A E H X S+ 0 0 98 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.941 111.8 43.4 -58.7 -51.3 6.6 13.6 10.4 61 67 A E H X S+ 0 0 44 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.914 113.3 51.8 -67.1 -38.9 5.3 10.8 8.2 62 68 A I H X S+ 0 0 67 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.918 106.4 54.6 -60.3 -42.3 2.7 13.1 6.6 63 69 A S H X S+ 0 0 54 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.891 109.8 47.5 -60.3 -37.3 5.5 15.6 5.7 64 70 A Q H X S+ 0 0 63 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.888 109.3 52.7 -70.9 -39.0 7.4 12.8 4.0 65 71 A L H X S+ 0 0 41 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.929 111.4 47.4 -59.1 -45.1 4.3 11.6 2.1 66 72 A L H X S+ 0 0 74 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.910 110.7 52.5 -63.3 -43.2 3.8 15.2 0.9 67 73 A Y H X S+ 0 0 32 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.950 111.3 44.9 -55.5 -52.8 7.5 15.5 -0.1 68 74 A W H X S+ 0 0 24 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.845 108.9 57.3 -66.3 -31.2 7.4 12.3 -2.2 69 75 A T H X S+ 0 0 47 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.925 108.6 47.3 -61.3 -43.7 4.1 13.4 -3.8 70 76 A Q H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.899 109.4 52.4 -64.6 -41.2 5.9 16.6 -4.9 71 77 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.926 110.1 49.6 -62.3 -41.9 8.9 14.7 -6.2 72 78 A L H X S+ 0 0 45 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.913 108.7 52.6 -60.9 -44.0 6.5 12.5 -8.3 73 79 A X H X>S+ 0 0 11 -4,-2.2 5,-2.7 1,-0.2 4,-0.7 0.938 111.8 46.0 -56.0 -47.6 4.8 15.6 -9.6 74 80 A I H ><5S+ 0 0 40 -4,-2.5 3,-0.7 1,-0.2 -2,-0.2 0.899 108.8 55.9 -65.2 -39.8 8.1 17.0 -10.8 75 81 A S H 3<5S+ 0 0 44 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.901 114.6 39.0 -56.9 -42.2 9.2 13.6 -12.3 76 82 A R H 3<5S- 0 0 183 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.461 117.0-110.9 -90.6 -2.6 6.0 13.5 -14.5 77 83 A G T <<5 + 0 0 61 -4,-0.7 2,-0.3 -3,-0.7 -3,-0.2 0.762 61.7 154.0 81.3 26.0 6.1 17.3 -15.3 78 84 A L < - 0 0 76 -5,-2.7 -1,-0.2 -6,-0.2 2,-0.2 -0.669 31.5-145.4 -86.2 144.1 3.0 18.3 -13.3 79 85 A S > - 0 0 45 -2,-0.3 4,-1.1 1,-0.1 5,-0.1 -0.574 28.4-109.8 -95.4 164.6 2.5 21.9 -12.0 80 86 A L H >> S+ 0 0 12 1,-0.2 4,-3.3 -2,-0.2 3,-0.6 0.916 121.6 56.1 -55.6 -44.8 0.8 22.8 -8.7 81 87 A D H 3> S+ 0 0 99 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.851 98.3 60.7 -58.3 -37.8 -2.0 24.3 -10.9 82 88 A D H 34 S+ 0 0 54 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.881 116.4 32.6 -55.6 -40.9 -2.5 20.9 -12.6 83 89 A V H X< S+ 0 0 51 -4,-1.1 3,-1.8 -3,-0.6 -2,-0.2 0.895 116.1 54.9 -82.1 -44.9 -3.3 19.4 -9.2 84 90 A Y H >< S+ 0 0 93 -4,-3.3 3,-1.7 1,-0.3 -3,-0.2 0.811 95.8 66.9 -64.8 -29.9 -5.0 22.4 -7.6 85 91 A R T 3< S+ 0 0 176 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.1 0.667 99.9 53.5 -62.5 -15.8 -7.5 22.8 -10.4 86 92 A K T < 0 0 185 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.424 360.0 360.0-100.1 0.0 -9.0 19.4 -9.3 87 93 A L < 0 0 172 -3,-1.7 -2,-0.2 -4,-0.2 -1,-0.1 0.699 360.0 360.0 -96.6 360.0 -9.5 20.4 -5.6