==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-JUN-11 3SIJ . COMPND 2 MOLECULE: POLY(ADP-RIBOSE) GLYCOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOMONOSPORA CURVATA; . AUTHOR M.S.DUNSTAN,D.LEYS . 265 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12296.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 192 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 7.5 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 0.8 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 . 21 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 35.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 1 1 0 0 1 3 1 1 1 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 1 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 PARALLEL BRIDGES PER LADDER . 1 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 3 A R > 0 0 71 0, 0.0 4,-1.5 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -40.7 24.7 -7.6 -17.5 2 4 A H H > + 0 0 156 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.710 360.0 56.4 -78.4 -22.4 27.6 -9.9 -17.2 3 5 A S H > S+ 0 0 78 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.889 104.0 51.5 -72.3 -41.1 26.8 -10.0 -13.5 4 6 A R H > S+ 0 0 63 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.940 108.6 51.9 -58.7 -45.8 23.2 -11.1 -14.2 5 7 A R H X S+ 0 0 133 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.888 111.7 47.0 -57.5 -39.8 24.7 -13.9 -16.3 6 8 A A H X S+ 0 0 59 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.908 112.2 48.8 -68.6 -44.6 26.9 -14.8 -13.3 7 9 A I H X S+ 0 0 40 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.920 111.5 51.0 -60.4 -43.8 24.0 -14.7 -10.9 8 10 A A H X S+ 0 0 0 -4,-3.2 4,-2.4 88,-0.3 -2,-0.2 0.923 110.5 47.6 -60.3 -46.4 21.9 -16.8 -13.3 9 11 A A H X S+ 0 0 57 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.888 113.4 48.7 -62.3 -39.5 24.6 -19.5 -13.6 10 12 A E H X S+ 0 0 77 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.888 109.0 52.6 -68.9 -40.2 25.1 -19.6 -9.8 11 13 A T H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.935 108.9 51.1 -60.5 -43.6 21.3 -19.9 -9.3 12 14 A V H X S+ 0 0 28 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.873 109.2 48.9 -61.9 -39.2 21.3 -22.8 -11.7 13 15 A E H X S+ 0 0 107 -4,-1.9 4,-3.2 2,-0.2 -1,-0.2 0.877 109.7 53.7 -67.3 -36.6 24.1 -24.6 -9.8 14 16 A I H X>S+ 0 0 11 -4,-2.2 4,-2.9 2,-0.2 5,-0.6 0.932 107.5 50.1 -60.7 -46.0 22.2 -23.9 -6.6 15 17 A L H <5S+ 0 0 17 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.872 115.1 44.3 -61.6 -36.2 19.2 -25.6 -8.1 16 18 A E H <5S+ 0 0 95 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.904 116.8 44.8 -71.8 -41.7 21.4 -28.6 -9.1 17 19 A R H <5S- 0 0 147 -4,-3.2 -2,-0.2 2,-0.2 -3,-0.2 0.813 98.6-137.3 -75.2 -31.8 23.2 -28.7 -5.7 18 20 A G T <5S+ 0 0 5 -4,-2.9 12,-2.6 -5,-0.2 13,-1.9 0.573 73.3 59.3 86.4 9.5 20.0 -28.4 -3.7 19 21 A R E < -A 29 0A 139 -5,-0.6 2,-0.3 10,-0.3 -1,-0.2 -0.985 58.2-163.4-160.1 159.1 21.6 -25.9 -1.2 20 22 A Y E -A 28 0A 8 8,-2.1 8,-3.1 -2,-0.3 2,-0.6 -0.914 24.8-111.9-140.0 170.8 23.2 -22.5 -1.0 21 23 A T E -A 27 0A 83 -2,-0.3 6,-0.2 6,-0.2 134,-0.2 -0.934 28.6-146.6-108.8 121.4 25.4 -20.5 1.4 22 24 A A > - 0 0 4 4,-3.1 3,-2.2 -2,-0.6 134,-0.1 -0.290 34.1 -98.1 -75.4 166.1 23.8 -17.4 3.0 23 25 A P T 3 S+ 0 0 67 0, 0.0 -1,-0.1 0, 0.0 133,-0.1 0.776 125.4 57.4 -55.3 -29.4 25.8 -14.2 3.8 24 26 A S T 3 S- 0 0 79 2,-0.1 3,-0.1 1,-0.1 -2,-0.0 0.523 121.3-108.6 -77.7 -7.4 26.1 -15.4 7.4 25 27 A G S < S+ 0 0 45 -3,-2.2 2,-0.1 1,-0.3 -1,-0.1 0.210 72.8 143.9 93.1 -14.9 27.7 -18.6 6.2 26 28 A R - 0 0 115 -5,-0.1 -4,-3.1 1,-0.1 2,-0.6 -0.342 49.8-133.4 -54.7 131.0 24.6 -20.6 7.1 27 29 A V E -A 21 0A 76 -6,-0.2 -6,-0.2 -3,-0.1 -1,-0.1 -0.831 22.4-157.2 -92.7 121.1 24.1 -23.4 4.5 28 30 A V E -A 20 0A 2 -8,-3.1 -8,-2.1 -2,-0.6 2,-0.3 -0.867 5.0-142.7-105.6 124.2 20.4 -23.4 3.4 29 31 A P E +A 19 0A 84 0, 0.0 -10,-0.3 0, 0.0 -11,-0.1 -0.684 31.5 156.7 -86.7 138.8 18.7 -26.4 2.0 30 32 A I > + 0 0 3 -12,-2.6 4,-2.7 -2,-0.3 5,-0.3 0.392 43.9 102.0-132.8 -3.5 16.2 -26.0 -0.9 31 33 A A H > S+ 0 0 49 -13,-1.9 4,-2.6 1,-0.2 5,-0.2 0.867 84.1 48.1 -51.2 -46.7 16.2 -29.4 -2.6 32 34 A D H > S+ 0 0 124 -14,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.933 114.2 45.1 -63.5 -47.7 13.0 -30.6 -1.1 33 35 A H H > S+ 0 0 66 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.874 113.2 50.1 -66.5 -39.2 11.0 -27.4 -1.8 34 36 A V H X S+ 0 0 15 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.954 111.8 48.8 -61.1 -48.8 12.3 -27.2 -5.4 35 37 A A H X S+ 0 0 50 -4,-2.6 4,-2.4 -5,-0.3 -2,-0.2 0.881 111.2 49.8 -59.2 -41.6 11.4 -30.8 -5.9 36 38 A Q H X S+ 0 0 96 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.920 110.6 49.9 -63.5 -43.6 7.9 -30.2 -4.5 37 39 A A H < S+ 0 0 3 -4,-2.3 4,-0.5 107,-0.3 -2,-0.2 0.929 113.0 46.4 -60.9 -45.3 7.4 -27.2 -6.7 38 40 A V H >< S+ 0 0 46 -4,-2.6 3,-1.1 1,-0.2 -1,-0.2 0.928 112.8 48.2 -63.2 -45.6 8.4 -29.1 -9.8 39 41 A R H 3< S+ 0 0 204 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.749 114.3 48.8 -67.7 -23.7 6.3 -32.1 -9.1 40 42 A G T 3< S+ 0 0 24 -4,-1.5 -1,-0.3 103,-0.2 -2,-0.2 0.437 83.9 118.3 -95.0 -0.8 3.4 -29.8 -8.4 41 43 A T < - 0 0 14 -3,-1.1 2,-0.4 -4,-0.5 101,-0.2 -0.466 44.5-169.6 -71.7 134.2 3.8 -27.8 -11.6 42 44 A R E -B 141 0B 136 99,-2.3 99,-2.8 -2,-0.2 2,-0.5 -0.967 19.5-141.3-129.9 141.2 0.8 -27.9 -13.9 43 45 A L E -B 140 0B 47 -2,-0.4 2,-0.5 97,-0.2 97,-0.2 -0.887 18.2-158.9 -97.1 126.1 0.2 -26.8 -17.5 44 46 A Y E -B 139 0B 25 95,-3.5 95,-2.3 -2,-0.5 154,-0.0 -0.937 7.6-144.8-106.9 124.8 -3.3 -25.4 -18.1 45 47 A R >> - 0 0 144 -2,-0.5 4,-1.9 93,-0.2 3,-0.9 -0.513 29.4-106.1 -82.4 154.1 -4.6 -25.3 -21.6 46 48 A P H 3> S+ 0 0 30 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.867 120.0 48.9 -48.1 -46.2 -6.8 -22.4 -22.8 47 49 A E H 3> S+ 0 0 120 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.769 107.6 55.1 -73.1 -24.7 -10.0 -24.4 -22.7 48 50 A K H <> S+ 0 0 112 -3,-0.9 4,-1.5 2,-0.2 -1,-0.2 0.885 109.7 46.2 -67.4 -42.4 -9.3 -25.7 -19.2 49 51 A L H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.895 106.1 60.1 -66.4 -37.0 -8.9 -22.2 -17.9 50 52 A A H X S+ 0 0 34 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.892 103.4 52.1 -57.0 -39.9 -12.1 -21.3 -19.7 51 53 A V H X S+ 0 0 92 -4,-1.3 4,-0.8 1,-0.2 -1,-0.2 0.892 105.2 53.9 -63.5 -40.3 -13.8 -23.9 -17.6 52 54 A L H < S+ 0 0 32 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.808 108.3 51.6 -62.2 -30.4 -12.4 -22.3 -14.4 53 55 A L H < S+ 0 0 63 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.807 102.4 57.9 -74.9 -34.0 -13.9 -19.0 -15.5 54 56 A E H < 0 0 169 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.679 360.0 360.0 -69.9 -17.8 -17.3 -20.5 -16.1 55 57 A G < 0 0 105 -4,-0.8 -1,-0.2 -3,-0.2 -4,-0.0 -0.507 360.0 360.0 -85.0 360.0 -17.3 -21.6 -12.4 56 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 57 67 A T 0 0 81 0, 0.0 2,-0.5 0, 0.0 187,-0.2 0.000 360.0 360.0 360.0 125.9 -10.2 -6.0 -1.6 58 68 A R E -c 244 0B 166 185,-2.7 187,-3.1 184,-0.1 2,-0.5 -0.737 360.0-171.6 -79.5 124.4 -7.0 -4.1 -0.6 59 69 A I E +c 245 0B 51 -2,-0.5 2,-0.4 185,-0.2 187,-0.2 -0.979 5.3 179.1-123.8 122.2 -5.4 -2.8 -3.8 60 70 A E E -c 246 0B 54 185,-2.3 187,-3.4 -2,-0.5 2,-0.5 -0.931 17.7-157.1-120.0 143.4 -1.9 -1.2 -3.7 61 71 A V E +c 247 0B 38 -2,-0.4 2,-0.3 185,-0.2 187,-0.2 -0.991 29.2 164.9-115.1 126.2 0.3 0.3 -6.4 62 72 A T E -c 248 0B 25 185,-2.5 187,-3.0 -2,-0.5 7,-0.0 -0.877 49.9-122.3-137.4 167.5 4.0 0.4 -5.5 63 73 A E S S+ 0 0 127 -2,-0.3 185,-0.1 185,-0.2 196,-0.0 0.243 72.9 124.6 -91.4 12.3 7.5 0.8 -7.0 64 74 A E - 0 0 42 183,-0.2 186,-0.4 1,-0.1 -2,-0.1 -0.273 66.9-112.7 -68.6 154.6 8.5 -2.6 -5.6 65 75 A T > - 0 0 29 184,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.425 39.3-102.3 -69.5 162.6 9.9 -5.4 -7.7 66 76 A T H > S+ 0 0 11 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.937 123.9 43.7 -53.1 -50.7 7.5 -8.4 -8.0 67 77 A L H > S+ 0 0 10 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.835 108.2 57.6 -70.8 -32.6 9.5 -10.4 -5.4 68 78 A A H > S+ 0 0 24 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.948 110.8 44.3 -58.9 -48.0 9.9 -7.4 -3.0 69 79 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.911 113.3 51.2 -61.3 -42.4 6.1 -7.1 -2.9 70 80 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.907 110.3 49.1 -61.8 -41.2 5.8 -10.9 -2.5 71 81 A R H X S+ 0 0 114 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.867 109.8 51.3 -70.5 -35.2 8.2 -10.9 0.4 72 82 A R H X S+ 0 0 92 -4,-1.9 4,-0.6 2,-0.2 -2,-0.2 0.945 114.3 42.9 -65.4 -48.3 6.5 -8.1 2.2 73 83 A L H >X S+ 0 0 3 -4,-2.4 3,-1.0 1,-0.2 4,-0.9 0.887 111.4 56.1 -63.8 -38.1 3.1 -9.8 1.9 74 84 A T H 3< S+ 0 0 40 -4,-2.5 3,-0.5 1,-0.3 -1,-0.2 0.877 104.7 51.7 -66.1 -37.1 4.6 -13.2 2.9 75 85 A G H 3< S+ 0 0 75 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.682 107.8 55.9 -67.7 -16.1 6.1 -11.8 6.1 76 86 A A H << S+ 0 0 82 -3,-1.0 2,-0.3 -4,-0.6 -1,-0.2 0.626 118.5 4.1 -99.2 -15.6 2.6 -10.4 7.0 77 87 A A < - 0 0 42 -4,-0.9 -1,-0.3 -3,-0.5 0, 0.0 -0.963 67.2-116.3-166.0 158.3 0.4 -13.5 6.9 78 88 A G S S+ 0 0 88 -2,-0.3 2,-0.4 -3,-0.1 -4,-0.1 0.439 75.3 105.3 -84.6 -2.7 0.8 -17.2 6.3 79 89 A D S S- 0 0 68 1,-0.1 2,-0.1 125,-0.0 -2,-0.1 -0.647 80.4-106.9 -81.2 135.0 -1.2 -17.8 3.1 80 90 A Q - 0 0 59 -2,-0.4 126,-0.4 1,-0.1 125,-0.3 -0.383 32.5-132.9 -66.7 129.6 1.0 -18.3 0.1 81 91 A V - 0 0 0 80,-0.4 82,-3.0 -2,-0.1 2,-0.4 -0.519 11.3-138.8 -80.7 146.3 1.1 -15.4 -2.3 82 92 A A E -de 163 207B 1 124,-2.3 126,-2.7 80,-0.2 2,-0.4 -0.918 16.3-162.4-106.6 135.9 0.7 -15.8 -6.0 83 93 A C E -de 164 208B 0 80,-3.0 82,-2.6 -2,-0.4 2,-0.5 -0.960 17.0-130.0-119.9 133.0 2.9 -13.8 -8.4 84 94 A L E -d 165 0B 2 124,-2.5 2,-0.6 -2,-0.4 82,-0.2 -0.681 19.2-151.0 -78.7 120.9 2.3 -13.2 -12.1 85 95 A N E -d 166 0B 0 80,-3.2 2,-2.4 -2,-0.5 82,-1.4 -0.847 14.8-134.8 -90.0 121.4 5.4 -14.0 -14.2 86 96 A F E -d 167 0B 40 -2,-0.6 18,-0.5 80,-0.1 80,-0.1 -0.518 43.0-150.1 -77.8 79.3 5.5 -11.9 -17.3 87 97 A A - 0 0 1 -2,-2.4 82,-0.4 80,-0.9 2,-0.4 -0.085 19.9-133.0 -65.7 144.3 6.4 -15.0 -19.4 88 98 A S - 0 0 21 3,-0.4 5,-0.1 80,-0.1 6,-0.1 -0.735 19.3-145.0 -75.8 141.5 8.4 -15.4 -22.5 89 99 A A S S+ 0 0 1 -2,-0.4 38,-0.3 1,-0.1 39,-0.2 0.685 93.2 32.1 -82.1 -19.6 6.3 -17.6 -24.7 90 100 A E S S+ 0 0 67 1,-0.2 -1,-0.1 37,-0.1 38,-0.1 0.665 115.5 48.2-112.8 -23.9 9.4 -19.4 -26.2 91 101 A H S > S- 0 0 97 33,-0.0 3,-2.3 0, 0.0 -3,-0.4 -0.956 73.8-130.0-132.5 117.2 12.1 -19.5 -23.5 92 102 A P T 3 S+ 0 0 35 0, 0.0 -3,-0.1 0, 0.0 22,-0.1 -0.461 102.0 14.2 -65.0 121.8 11.7 -20.6 -19.9 93 103 A G T > S- 0 0 0 -2,-0.3 3,-1.9 -5,-0.1 15,-0.2 0.472 109.2-119.3 89.5 5.6 13.2 -17.9 -17.6 94 104 A G T < S- 0 0 22 -3,-2.3 3,-0.2 1,-0.2 -7,-0.0 -0.397 73.0 -27.8 58.0-127.9 13.2 -15.6 -20.6 95 105 A G T >>>S+ 0 0 24 1,-0.2 5,-1.9 -2,-0.1 3,-1.9 0.264 96.2 126.2-100.5 15.9 16.8 -14.6 -21.3 96 106 A F G X45S+ 0 0 4 -3,-1.9 3,-1.1 1,-0.3 -88,-0.3 0.789 71.2 50.2 -50.8 -42.6 18.1 -15.0 -17.8 97 107 A L G 345S+ 0 0 69 1,-0.3 -1,-0.3 -3,-0.2 -88,-0.1 0.749 110.8 51.1 -69.8 -22.2 21.1 -17.3 -18.5 98 108 A S G <45S- 0 0 103 -3,-1.9 -1,-0.3 -90,-0.1 -93,-0.2 0.559 127.5-104.0 -83.4 -11.9 22.2 -14.9 -21.3 99 109 A G T <<5 + 0 0 6 -3,-1.1 -3,-0.2 -4,-0.8 -94,-0.2 0.629 58.3 175.3 96.9 18.8 22.0 -12.1 -18.7 100 110 A A < - 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