==== 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/HYDROLASE INHIBITOR 18-JUN-11 3SII . 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) . 12145.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 193 72.8 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 62 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -37.7 9.0 -18.5 -25.1 2 4 A H H > + 0 0 149 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.902 360.0 48.5 -67.9 -39.2 10.9 -17.3 -28.1 3 5 A S H > S+ 0 0 82 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.887 113.4 47.6 -66.9 -39.4 10.7 -13.6 -27.2 4 6 A R H > S+ 0 0 68 2,-0.2 4,-2.6 95,-0.2 95,-0.3 0.890 110.0 53.2 -66.4 -39.9 11.8 -14.3 -23.7 5 7 A R H X S+ 0 0 123 -4,-2.4 4,-2.1 93,-0.2 -2,-0.2 0.909 109.3 48.9 -59.7 -43.6 14.7 -16.4 -25.0 6 8 A A H X S+ 0 0 60 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.906 111.5 48.8 -63.8 -43.4 15.8 -13.5 -27.2 7 9 A I H X S+ 0 0 40 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.922 109.3 52.7 -62.3 -44.1 15.6 -11.1 -24.3 8 10 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 88,-0.2 -2,-0.2 0.917 109.7 48.9 -57.4 -44.3 17.6 -13.4 -22.0 9 11 A A H X S+ 0 0 54 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.885 109.7 51.9 -63.5 -40.2 20.3 -13.7 -24.7 10 12 A E H X S+ 0 0 82 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.874 108.2 51.9 -63.2 -38.7 20.4 -9.9 -25.0 11 13 A T H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.935 107.6 51.1 -65.6 -44.5 20.8 -9.5 -21.3 12 14 A V H X S+ 0 0 32 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.910 111.4 48.5 -57.9 -41.8 23.7 -11.9 -21.2 13 15 A E H X S+ 0 0 120 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.920 110.3 51.9 -62.6 -44.6 25.4 -9.9 -24.0 14 16 A I H X>S+ 0 0 9 -4,-2.6 4,-2.6 1,-0.2 5,-0.6 0.903 108.5 50.1 -57.6 -43.6 24.7 -6.7 -22.1 15 17 A L H <5S+ 0 0 17 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.823 114.1 46.4 -68.1 -29.8 26.4 -8.1 -19.0 16 18 A E H <5S+ 0 0 119 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.896 117.2 41.5 -73.6 -43.6 29.3 -9.1 -21.2 17 19 A R H <5S- 0 0 152 -4,-3.0 -2,-0.2 2,-0.2 -3,-0.2 0.749 99.3-135.0 -80.7 -25.5 29.6 -5.8 -23.0 18 20 A G T <5S+ 0 0 7 -4,-2.6 12,-2.9 -5,-0.2 13,-1.7 0.585 74.1 63.5 83.0 11.4 29.0 -3.7 -19.8 19 21 A R E < -A 29 0A 136 -5,-0.6 2,-0.3 10,-0.3 -2,-0.2 -0.982 56.9-163.5-156.7 158.3 26.6 -1.3 -21.5 20 22 A Y E -A 28 0A 8 8,-1.8 8,-3.0 -2,-0.3 2,-0.6 -0.951 24.5-116.0-139.9 165.8 23.1 -1.2 -23.1 21 23 A T E -A 27 0A 84 -2,-0.3 6,-0.2 6,-0.2 134,-0.2 -0.911 27.5-146.2-107.8 119.1 21.2 1.2 -25.3 22 24 A A > - 0 0 4 4,-3.1 3,-1.6 -2,-0.6 134,-0.1 -0.289 32.4 -99.5 -76.5 164.9 18.0 2.7 -23.9 23 25 A P T 3 S+ 0 0 66 0, 0.0 -1,-0.1 0, 0.0 133,-0.1 0.818 123.3 56.9 -57.1 -31.9 15.0 3.4 -26.1 24 26 A S T 3 S- 0 0 82 2,-0.1 3,-0.1 1,-0.1 -3,-0.0 0.715 122.3-106.0 -67.8 -22.3 15.9 7.1 -26.2 25 27 A G S < S+ 0 0 44 -3,-1.6 -1,-0.1 1,-0.4 2,-0.0 0.154 73.9 143.2 109.6 -14.7 19.3 6.2 -27.7 26 28 A R - 0 0 108 -5,-0.1 -4,-3.1 1,-0.1 2,-0.6 -0.336 48.3-136.2 -54.9 131.4 21.2 6.9 -24.5 27 29 A V E -A 21 0A 77 -6,-0.2 -6,-0.2 -3,-0.1 -1,-0.1 -0.876 20.2-155.1 -95.7 119.0 24.0 4.4 -23.9 28 30 A V E -A 20 0A 2 -8,-3.0 -8,-1.8 -2,-0.6 2,-0.3 -0.838 4.5-142.8-102.6 120.9 24.0 3.3 -20.3 29 31 A P E +A 19 0A 84 0, 0.0 -10,-0.3 0, 0.0 4,-0.1 -0.662 31.5 157.0 -82.2 135.0 27.1 2.0 -18.7 30 32 A I > + 0 0 3 -12,-2.9 4,-2.6 -2,-0.3 5,-0.2 0.386 42.5 100.5-132.0 -2.3 26.6 -0.9 -16.2 31 33 A A H > S+ 0 0 52 -13,-1.7 4,-2.8 1,-0.2 5,-0.2 0.904 84.6 49.3 -55.8 -46.8 30.0 -2.7 -16.0 32 34 A D H > S+ 0 0 126 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.937 114.2 43.7 -59.5 -50.0 31.1 -1.0 -12.7 33 35 A H H > S+ 0 0 69 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.886 114.0 50.7 -65.6 -38.8 27.9 -1.7 -10.9 34 36 A V H X S+ 0 0 15 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.956 111.2 48.2 -62.5 -48.4 27.7 -5.3 -12.2 35 37 A A H X S+ 0 0 48 -4,-2.8 4,-2.9 -5,-0.2 -2,-0.2 0.885 111.3 51.3 -58.8 -40.9 31.3 -6.0 -11.1 36 38 A Q H X S+ 0 0 110 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.926 109.3 49.7 -62.0 -45.1 30.6 -4.5 -7.7 37 39 A A H < S+ 0 0 2 -4,-2.4 4,-0.4 107,-0.3 -2,-0.2 0.918 113.7 46.4 -60.8 -44.3 27.5 -6.7 -7.3 38 40 A V H >< S+ 0 0 47 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.951 111.7 49.9 -61.9 -49.3 29.5 -9.8 -8.3 39 41 A R H 3< S+ 0 0 203 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.785 113.5 47.2 -62.4 -26.1 32.4 -9.0 -6.0 40 42 A G T 3< S+ 0 0 24 -4,-1.7 -1,-0.3 103,-0.2 -2,-0.2 0.430 83.3 121.1 -97.4 1.1 30.1 -8.4 -3.1 41 43 A T < - 0 0 14 -3,-1.4 2,-0.4 -4,-0.4 101,-0.2 -0.413 43.6-168.2 -68.1 135.5 28.1 -11.6 -3.6 42 44 A R E -B 141 0B 134 99,-2.4 99,-2.9 -2,-0.1 2,-0.5 -0.985 19.4-143.9-131.6 138.0 28.2 -13.9 -0.6 43 45 A L E -B 140 0B 45 -2,-0.4 2,-0.5 97,-0.2 97,-0.2 -0.875 18.1-160.4 -93.7 125.8 27.1 -17.5 0.0 44 46 A Y E -B 139 0B 25 95,-3.1 95,-2.1 -2,-0.5 154,-0.0 -0.941 7.5-145.7-105.6 124.7 25.7 -18.1 3.5 45 47 A R >> - 0 0 115 -2,-0.5 4,-1.9 93,-0.2 3,-0.9 -0.515 31.0-103.7 -81.2 158.7 25.6 -21.6 4.8 46 48 A P H 3> S+ 0 0 30 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.871 119.4 51.9 -50.1 -44.3 22.7 -22.7 7.0 47 49 A E H 3> S+ 0 0 122 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.793 106.7 52.8 -70.4 -26.7 24.7 -22.6 10.2 48 50 A K H <> S+ 0 0 103 -3,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.917 109.5 48.8 -72.3 -42.1 25.9 -19.0 9.5 49 51 A L H X S+ 0 0 0 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.882 107.1 56.9 -59.6 -38.6 22.3 -17.9 9.1 50 52 A A H X S+ 0 0 37 -4,-2.1 4,-0.7 -5,-0.2 -1,-0.2 0.886 105.5 50.9 -61.4 -38.3 21.5 -19.7 12.3 51 53 A V H >X S+ 0 0 84 -4,-1.5 3,-1.1 1,-0.2 4,-0.7 0.912 105.3 55.5 -63.9 -40.5 24.1 -17.5 14.0 52 54 A L H >< S+ 0 0 26 -4,-1.9 3,-0.5 1,-0.3 -1,-0.2 0.812 103.8 56.9 -61.0 -30.4 22.5 -14.4 12.5 53 55 A L H 3< S+ 0 0 64 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.678 93.8 65.2 -74.4 -21.3 19.2 -15.4 14.1 54 56 A E H << 0 0 170 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.763 360.0 360.0 -71.6 -24.5 20.7 -15.6 17.6 55 57 A G << 0 0 106 -4,-0.7 -1,-0.2 -3,-0.5 -4,-0.0 -0.628 360.0 360.0 -87.8 360.0 21.3 -11.8 17.4 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 83 0, 0.0 2,-0.6 0, 0.0 187,-0.2 0.000 360.0 360.0 360.0 129.5 6.2 -1.7 10.1 58 68 A R E -c 244 0B 164 185,-2.6 187,-2.9 184,-0.0 2,-0.5 -0.766 360.0-170.4 -79.4 121.8 4.3 -0.8 7.0 59 69 A I E +c 245 0B 46 -2,-0.6 2,-0.4 185,-0.2 187,-0.2 -0.978 6.8 177.6-118.1 124.2 3.0 -4.0 5.4 60 70 A E E -c 246 0B 56 185,-2.4 187,-3.3 -2,-0.5 2,-0.5 -0.967 19.6-157.3-123.3 141.8 1.4 -3.9 1.9 61 71 A V E +c 247 0B 38 -2,-0.4 2,-0.3 185,-0.2 187,-0.2 -0.986 28.1 165.7-111.7 128.8 -0.0 -6.5 -0.4 62 72 A T E -c 248 0B 27 185,-2.4 187,-2.7 -2,-0.5 7,-0.0 -0.874 48.3-123.3-135.0 166.9 -0.1 -5.5 -4.0 63 73 A E S S+ 0 0 128 -2,-0.3 185,-0.1 185,-0.2 2,-0.1 0.148 72.2 126.7 -94.9 15.5 -0.5 -7.1 -7.5 64 74 A E - 0 0 41 183,-0.2 -2,-0.1 1,-0.1 186,-0.1 -0.356 65.8-113.0 -65.8 148.8 2.9 -5.7 -8.5 65 75 A T > - 0 0 22 184,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.419 36.8-103.9 -66.2 158.5 5.7 -7.8 -9.9 66 76 A T H > S+ 0 0 10 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.932 123.5 45.9 -48.4 -51.7 8.7 -8.1 -7.6 67 77 A L H > S+ 0 0 11 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.869 109.0 53.9 -67.0 -35.4 10.6 -5.6 -9.8 68 78 A A H > S+ 0 0 25 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.937 111.5 46.0 -65.3 -43.7 7.7 -3.1 -10.1 69 79 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.929 113.0 49.9 -60.5 -45.2 7.4 -3.0 -6.3 70 80 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.920 110.6 50.2 -61.6 -41.3 11.2 -2.7 -5.9 71 81 A R H X S+ 0 0 121 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.899 110.4 49.4 -64.5 -41.8 11.3 0.2 -8.5 72 82 A R H X S+ 0 0 93 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.946 114.0 44.9 -61.4 -50.5 8.5 2.1 -6.7 73 83 A L H >X S+ 0 0 4 -4,-2.5 4,-1.0 1,-0.2 3,-0.7 0.886 111.0 54.1 -61.7 -39.1 10.2 1.8 -3.3 74 84 A T H 3< S+ 0 0 37 -4,-2.4 3,-0.4 1,-0.3 -1,-0.2 0.856 105.8 52.4 -67.7 -33.7 13.6 2.7 -4.7 75 85 A G H 3< S+ 0 0 73 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.705 107.2 55.4 -71.8 -18.4 12.2 5.9 -6.2 76 86 A A H << S+ 0 0 82 -4,-0.8 2,-0.3 -3,-0.7 -1,-0.2 0.673 118.8 5.3 -94.1 -19.4 10.7 6.9 -2.8 77 87 A A < - 0 0 41 -4,-1.0 -1,-0.2 -3,-0.4 0, 0.0 -0.979 65.8-117.9-161.8 160.3 13.8 6.8 -0.6 78 88 A G S S+ 0 0 87 -2,-0.3 2,-0.3 -3,-0.1 -4,-0.1 0.572 75.3 105.0 -82.2 -13.1 17.6 6.3 -0.8 79 89 A D S S- 0 0 69 1,-0.1 -2,-0.1 125,-0.0 2,-0.1 -0.529 81.4-106.0 -74.7 132.2 18.0 3.1 1.3 80 90 A Q - 0 0 61 -2,-0.3 126,-0.4 1,-0.1 125,-0.3 -0.344 32.8-135.5 -64.5 130.0 18.7 0.0 -0.9 81 91 A V - 0 0 0 80,-0.4 82,-2.9 -11,-0.1 2,-0.4 -0.550 10.5-141.6 -84.2 145.0 15.7 -2.3 -1.1 82 92 A A E -de 163 207B 1 124,-2.2 126,-2.5 -2,-0.2 2,-0.4 -0.930 15.2-164.3-108.9 138.4 16.1 -6.1 -0.7 83 93 A C E -de 164 208B 0 80,-2.7 82,-2.6 -2,-0.4 2,-0.5 -0.963 19.2-126.5-123.6 135.3 14.0 -8.6 -2.8 84 94 A L E -d 165 0B 1 124,-2.4 2,-0.5 -2,-0.4 82,-0.2 -0.689 20.0-149.4 -79.1 122.5 13.4 -12.3 -2.4 85 95 A N E -d 166 0B 0 80,-2.9 2,-2.0 -2,-0.5 82,-1.2 -0.864 14.4-135.5 -89.1 120.6 14.3 -14.3 -5.5 86 96 A F E -d 167 0B 44 -2,-0.5 18,-0.5 80,-0.1 80,-0.1 -0.574 46.4-154.3 -78.9 82.3 12.1 -17.4 -5.7 87 97 A A - 0 0 1 -2,-2.0 82,-0.3 80,-0.9 2,-0.3 -0.221 25.2-129.4 -82.2 146.6 15.1 -19.4 -6.6 88 98 A S - 0 0 23 3,-0.4 5,-0.1 1,-0.1 6,-0.1 -0.639 16.6-148.3 -69.9 140.8 16.0 -22.5 -8.4 89 99 A A S S+ 0 0 0 -2,-0.3 38,-0.3 80,-0.1 39,-0.2 0.681 93.4 37.1 -80.1 -18.2 18.1 -24.7 -6.3 90 100 A E S S+ 0 0 70 1,-0.2 -1,-0.1 37,-0.1 38,-0.1 0.679 114.1 39.0-115.5 -25.9 19.9 -26.1 -9.3 91 101 A H S > S- 0 0 98 33,-0.0 3,-2.5 0, 0.0 -3,-0.4 -0.984 76.1-119.8-137.4 126.2 20.3 -23.4 -12.0 92 102 A P T 3 S+ 0 0 33 0, 0.0 4,-0.1 0, 0.0 -3,-0.1 -0.471 106.1 6.6 -63.9 120.7 21.3 -19.7 -11.6 93 103 A G T > S- 0 0 0 -2,-0.3 3,-1.7 -5,-0.1 15,-0.1 0.574 108.1-120.2 79.4 10.3 18.4 -17.7 -13.1 94 104 A G T < S- 0 0 16 -3,-2.5 3,-0.3 1,-0.2 -7,-0.0 -0.290 72.7 -23.7 59.7-134.9 16.4 -20.9 -13.5 95 105 A G T > >S+ 0 0 25 1,-0.2 5,-2.1 2,-0.1 3,-1.6 -0.004 93.4 127.9 -98.1 30.1 15.5 -21.6 -17.1 96 106 A F G X 5S+ 0 0 4 -3,-1.7 3,-1.4 1,-0.3 -88,-0.2 0.866 70.1 54.6 -59.4 -36.5 15.7 -18.0 -18.3 97 107 A L G 3 5S+ 0 0 71 -3,-0.3 -1,-0.3 1,-0.3 -88,-0.1 0.684 106.8 51.9 -73.4 -15.3 18.0 -18.7 -21.2 98 108 A S G < 5S- 0 0 95 -3,-1.6 -1,-0.3 -90,-0.1 -93,-0.2 0.426 124.4-105.0 -92.8 -3.2 15.5 -21.3 -22.5 99 109 A G T < 5 + 0 0 1 -3,-1.4 -3,-0.2 -4,-0.5 -95,-0.2 0.651 60.5 167.3 89.1 16.6 12.7 -18.7 -22.3 100 110 A A < - 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