==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-JUL-03 1Q33 . COMPND 2 MOLECULE: ADP-RIBOSE PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.W.SHEN,A.L.PERRAUD,A.SCHARENBERG,B.L.STODDARD . 292 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16086.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 168 57.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 . 26 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 4 1 0 0 1 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 . 3 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 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 59 A E 0 0 231 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 71.6 33.5 49.5 48.8 2 60 A N - 0 0 162 2,-0.0 2,-0.1 3,-0.0 3,-0.1 0.893 360.0-139.1 62.3 107.0 31.8 48.5 45.6 3 61 A S - 0 0 36 1,-0.2 91,-0.1 2,-0.0 2,-0.1 -0.385 40.7 -77.8 -83.6 166.3 28.3 47.1 45.8 4 62 A H + 0 0 11 89,-0.4 -1,-0.2 1,-0.2 -2,-0.0 -0.448 51.1 177.9 -65.5 142.2 27.1 44.1 43.8 5 63 A N S > S+ 0 0 89 -3,-0.1 3,-1.6 2,-0.1 -1,-0.2 0.728 70.7 53.4-116.4 -40.6 26.4 45.4 40.3 6 64 A K G > S+ 0 0 94 1,-0.3 3,-1.7 2,-0.2 -2,-0.1 0.875 102.8 62.5 -64.4 -35.0 25.4 42.4 38.1 7 65 A A G 3 S+ 0 0 0 1,-0.3 -1,-0.3 208,-0.1 -2,-0.1 0.508 104.9 49.3 -67.5 -4.1 22.8 41.6 40.7 8 66 A R G < S+ 0 0 41 -3,-1.6 -1,-0.3 89,-0.1 2,-0.2 0.094 84.9 113.9-122.1 22.0 21.2 45.0 39.9 9 67 A T < - 0 0 64 -3,-1.7 10,-0.0 2,-0.1 -3,-0.0 -0.618 59.9 -98.8 -94.1 155.3 21.0 44.9 36.1 10 68 A S S S+ 0 0 51 -2,-0.2 8,-0.1 8,-0.1 2,-0.1 -0.924 87.0 36.1-129.2 153.1 17.8 44.8 34.0 11 69 A P S S- 0 0 65 0, 0.0 7,-0.2 0, 0.0 3,-0.1 0.630 88.0-115.5 -80.3 167.9 16.0 43.1 32.6 12 70 A Y > - 0 0 1 5,-2.6 3,-1.9 1,-0.1 5,-0.3 -0.390 50.4 -80.7 -63.0 139.1 16.1 40.0 34.9 13 71 A P T 3 S+ 0 0 35 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.067 114.5 8.3 -43.7 135.1 17.7 37.0 33.0 14 72 A G T 3 S+ 0 0 84 1,-0.2 2,-0.3 -3,-0.1 -2,-0.1 0.588 123.0 71.5 67.6 12.4 15.2 35.2 30.7 15 73 A S S < S- 0 0 27 -3,-1.9 -1,-0.2 2,-0.1 28,-0.0 -0.845 78.9-125.9-144.8 178.7 12.5 37.9 31.2 16 74 A K + 0 0 198 -2,-0.3 2,-0.2 -3,-0.1 -2,-0.0 0.160 65.2 134.6-113.4 13.1 11.6 41.4 30.4 17 75 A V - 0 0 40 -5,-0.3 -5,-2.6 -4,-0.1 2,-0.4 -0.455 46.3-146.9 -69.0 131.1 11.2 42.2 34.1 18 76 A E - 0 0 115 -7,-0.2 2,-0.1 -2,-0.2 -8,-0.1 -0.850 11.1-132.2-102.3 130.3 12.8 45.5 35.2 19 77 A R - 0 0 16 -2,-0.4 79,-0.2 1,-0.1 2,-0.2 -0.461 28.9-103.3 -76.7 153.9 14.2 45.7 38.7 20 78 A S - 0 0 26 77,-2.4 2,-0.2 -2,-0.1 -1,-0.1 -0.513 49.1 -97.0 -73.1 147.2 13.4 48.7 40.9 21 79 A Q - 0 0 156 -2,-0.2 76,-0.1 -3,-0.1 -1,-0.1 -0.464 36.4-165.1 -70.6 134.1 16.3 51.2 41.0 22 80 A V - 0 0 3 -2,-0.2 5,-0.1 -14,-0.2 -1,-0.0 -0.937 15.0-139.5-123.0 107.9 18.6 50.9 44.0 23 81 A P > - 0 0 50 0, 0.0 3,-1.9 0, 0.0 4,-0.1 -0.369 25.9-116.6 -61.1 143.5 21.0 53.9 44.5 24 82 A N G > S+ 0 0 105 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.841 114.4 57.9 -52.4 -37.3 24.4 52.7 45.5 25 83 A E G 3 S+ 0 0 154 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.725 106.9 49.9 -68.6 -16.8 24.2 54.4 48.9 26 84 A K G < S+ 0 0 54 -3,-1.9 -1,-0.3 1,-0.1 69,-0.3 0.203 81.0 96.1-105.4 14.9 21.0 52.4 49.6 27 85 A V < + 0 0 6 -3,-1.5 68,-2.7 -4,-0.1 -1,-0.1 0.941 65.5 83.4 -68.6 -46.3 22.4 49.0 48.8 28 86 A G S > S- 0 0 34 -4,-0.4 3,-1.6 66,-0.2 66,-0.1 -0.338 76.9-139.3 -62.7 131.4 23.2 48.0 52.4 29 87 A W T 3 S+ 0 0 45 1,-0.3 -1,-0.2 62,-0.2 4,-0.1 0.768 100.5 68.4 -60.7 -25.7 20.3 46.7 54.4 30 88 A L T 3 S+ 0 0 173 2,-0.1 2,-0.3 0, 0.0 -1,-0.3 0.811 81.4 91.7 -62.0 -29.0 21.5 48.7 57.4 31 89 A V S < S- 0 0 56 -3,-1.6 2,-0.3 1,-0.1 -5,-0.0 -0.520 86.1-120.2 -71.2 127.5 20.5 51.9 55.4 32 90 A E + 0 0 144 -2,-0.3 2,-0.1 1,-0.1 -1,-0.1 -0.491 42.6 160.2 -71.6 129.9 16.9 52.9 56.2 33 91 A W > + 0 0 46 -2,-0.3 3,-1.6 -4,-0.1 -1,-0.1 -0.597 8.3 172.7-151.7 79.8 14.7 53.0 53.1 34 92 A Q T 3 S+ 0 0 150 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.853 80.7 54.0 -59.0 -35.7 11.1 52.9 54.2 35 93 A D T 3 S+ 0 0 128 -3,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.407 73.3 134.3 -83.6 4.1 9.9 53.6 50.6 36 94 A Y < + 0 0 35 -3,-1.6 -3,-0.1 1,-0.1 -14,-0.1 -0.347 27.6 176.3 -57.7 123.3 11.9 50.7 49.1 37 95 A K - 0 0 170 -2,-0.1 -1,-0.1 60,-0.0 -2,-0.0 -0.684 7.2-170.4-133.9 78.6 9.5 48.9 46.7 38 96 A P - 0 0 32 0, 0.0 60,-0.3 0, 0.0 2,-0.2 -0.339 29.5-108.3 -67.5 152.1 11.2 46.1 44.9 39 97 A V E -a 98 0A 49 58,-2.0 60,-2.7 -21,-0.1 2,-0.5 -0.538 31.3-127.1 -78.6 147.4 9.4 44.4 42.0 40 98 A E E +a 99 0A 151 58,-0.2 2,-0.3 -2,-0.2 60,-0.2 -0.857 40.3 155.6-101.9 127.5 8.2 40.8 42.8 41 99 A Y E + 0 0 49 58,-2.7 61,-1.9 -2,-0.5 2,-0.4 -0.928 18.0 168.3-155.5 125.9 9.3 38.1 40.3 42 100 A T E -a 102 0A 23 -2,-0.3 61,-0.2 59,-0.2 5,-0.1 -0.994 43.5-109.3-134.4 129.7 9.8 34.4 40.4 43 101 A A >> - 0 0 3 59,-2.5 4,-2.5 -2,-0.4 3,-0.9 -0.192 20.2-122.6 -59.7 145.3 10.2 32.5 37.1 44 102 A V H 3> S+ 0 0 120 1,-0.3 4,-1.8 2,-0.2 5,-0.2 0.905 112.9 59.1 -54.5 -42.0 7.3 30.3 35.9 45 103 A S H 34 S+ 0 0 57 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.825 110.3 41.9 -58.3 -33.0 9.8 27.4 35.8 46 104 A V H X4 S+ 0 0 1 -3,-0.9 3,-1.5 56,-0.2 -1,-0.2 0.869 112.0 52.8 -80.5 -39.8 10.5 27.8 39.5 47 105 A L H 3< S+ 0 0 78 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.718 94.8 72.6 -67.3 -21.8 6.8 28.4 40.5 48 106 A A T 3< S- 0 0 81 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.656 107.8-125.3 -67.5 -16.2 5.9 25.2 38.7 49 107 A G < - 0 0 49 -3,-1.5 -3,-0.1 5,-0.2 -2,-0.1 0.886 38.0-179.1 77.2 41.1 7.6 23.4 41.6 50 108 A P > - 0 0 37 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.226 45.7 -95.7 -67.9 167.2 10.2 21.1 40.0 51 109 A R T 3 S+ 0 0 246 1,-0.3 -2,-0.0 110,-0.0 0, 0.0 0.747 122.8 55.2 -54.3 -29.1 12.3 18.9 42.2 52 110 A W T 3 S+ 0 0 124 2,-0.1 2,-0.3 109,-0.0 -1,-0.3 0.439 99.4 76.4 -86.8 0.4 15.2 21.4 42.3 53 111 A A S < S- 0 0 11 -3,-2.0 53,-0.2 -7,-0.1 52,-0.1 -0.844 75.1-127.6-115.3 149.2 13.1 24.2 43.6 54 112 A D - 0 0 5 51,-3.1 -5,-0.2 -2,-0.3 3,-0.1 -0.393 34.7-102.5 -81.8 168.2 11.6 25.0 47.0 55 113 A P - 0 0 48 0, 0.0 -1,-0.1 0, 0.0 52,-0.1 -0.298 50.9 -82.5 -80.5 173.5 7.9 25.7 47.4 56 114 A Q > - 0 0 104 -9,-0.1 3,-1.1 1,-0.1 6,-0.1 -0.424 45.3-108.4 -71.8 157.1 6.7 29.4 47.9 57 115 A I T 3 S+ 0 0 34 1,-0.2 -1,-0.1 -2,-0.1 5,-0.1 0.845 118.2 57.9 -58.3 -34.5 7.1 30.6 51.5 58 116 A S T 3 S+ 0 0 102 3,-0.1 -1,-0.2 0, 0.0 4,-0.1 0.741 73.1 124.3 -68.2 -24.1 3.3 30.6 52.0 59 117 A E X - 0 0 95 -3,-1.1 3,-1.6 1,-0.1 0, 0.0 -0.141 65.4-134.8 -40.1 117.1 3.1 26.9 51.1 60 118 A S T 3 S+ 0 0 99 1,-0.3 -1,-0.1 3,-0.0 -3,-0.0 0.880 98.5 40.3 -46.9 -54.8 1.4 25.5 54.3 61 119 A N T 3 S+ 0 0 145 2,-0.0 2,-0.7 1,-0.0 -1,-0.3 0.437 90.6 106.9 -80.6 2.3 3.6 22.4 54.8 62 120 A F < + 0 0 31 -3,-1.6 -8,-0.0 -6,-0.1 -1,-0.0 -0.737 34.2 163.6 -90.2 113.0 6.9 24.3 53.9 63 121 A S - 0 0 97 -2,-0.7 -1,-0.1 2,-0.0 -6,-0.0 -0.685 20.2-163.0-126.9 75.4 9.1 25.0 57.0 64 122 A P - 0 0 31 0, 0.0 2,-0.9 0, 0.0 -2,-0.0 -0.257 15.0-143.1 -61.1 142.5 12.6 25.8 55.8 65 123 A K > - 0 0 93 3,-0.1 3,-0.8 5,-0.0 10,-0.2 -0.772 27.8-160.2-104.1 84.4 15.5 25.7 58.2 66 124 A F T 3 + 0 0 26 -2,-0.9 10,-0.1 1,-0.2 3,-0.1 -0.221 68.7 24.1 -66.5 157.8 17.5 28.6 57.0 67 125 A N T 3 S+ 0 0 35 8,-1.1 2,-0.3 1,-0.2 9,-0.2 0.740 115.1 80.5 60.1 27.9 21.2 29.0 57.9 68 126 A E S < S- 0 0 103 -3,-0.8 7,-1.9 5,-0.1 2,-0.7 -0.954 96.3 -85.9-152.7 165.8 21.4 25.2 58.4 69 127 A K E -B 74 0B 131 -2,-0.3 2,-0.8 5,-0.2 5,-0.2 -0.726 46.2-166.7 -74.4 116.3 21.7 21.9 56.7 70 128 A D E > -B 73 0B 26 3,-3.1 3,-1.7 -2,-0.7 2,-0.4 -0.728 48.8 -76.3-112.9 80.4 18.0 21.4 55.9 71 129 A G T 3 S- 0 0 42 -2,-0.8 -1,-0.1 1,-0.3 91,-0.0 -0.512 113.8 -8.9 68.7-123.2 17.8 17.7 55.0 72 130 A H T 3 S+ 0 0 148 -2,-0.4 90,-2.4 -3,-0.1 2,-0.5 0.336 125.0 85.2 -88.7 6.5 19.0 17.3 51.4 73 131 A V E < S-B 70 0B 22 -3,-1.7 -3,-3.1 88,-0.2 2,-0.9 -0.946 70.6-146.7-115.4 120.0 19.2 21.1 51.0 74 132 A E E +B 69 0B 75 -2,-0.5 37,-0.2 -5,-0.2 -5,-0.2 -0.739 24.8 168.7 -83.7 108.5 22.2 23.0 52.2 75 133 A R + 0 0 9 -7,-1.9 -8,-1.1 -2,-0.9 2,-0.3 0.390 38.9 110.6-102.6 3.9 20.9 26.3 53.4 76 134 A K - 0 0 94 -9,-0.2 2,-0.3 -10,-0.1 5,-0.1 -0.605 64.0-135.9 -78.9 137.9 24.1 27.6 55.1 77 135 A S > - 0 0 12 3,-0.3 3,-1.2 -2,-0.3 -2,-0.1 -0.707 8.4-135.3 -88.9 145.0 25.8 30.5 53.3 78 136 A K T 3 S+ 0 0 63 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.472 104.0 59.9 -79.9 1.6 29.5 30.3 53.0 79 137 A N T 3 S- 0 0 82 1,-0.5 -1,-0.2 130,-0.0 2,-0.2 0.162 117.2-101.5-109.4 14.6 29.7 33.9 54.1 80 138 A G S < S- 0 0 41 -3,-1.2 -1,-0.5 2,-0.0 -3,-0.3 -0.494 71.2 -6.1 98.9-169.9 28.1 33.4 57.4 81 139 A L - 0 0 148 -2,-0.2 2,-0.4 -3,-0.1 -5,-0.1 -0.254 55.6-156.5 -63.5 145.0 24.6 34.0 58.7 82 140 A Y - 0 0 10 -5,-0.0 9,-0.1 9,-0.0 2,-0.1 -0.953 25.5-108.1-120.7 144.3 22.1 35.8 56.5 83 141 A E - 0 0 104 -2,-0.4 7,-1.7 7,-0.3 2,-0.5 -0.326 18.7-143.4 -70.2 149.5 19.1 37.6 58.0 84 142 A I E +C 89 0C 70 5,-0.2 2,-0.4 -18,-0.1 3,-0.1 -0.981 27.0 170.7-114.5 122.4 15.6 36.4 57.8 85 143 A E E > +C 88 0C 90 3,-3.1 3,-1.7 -2,-0.5 -2,-0.0 -0.999 66.7 3.4-135.8 135.0 13.0 39.2 57.4 86 144 A N T 3 S- 0 0 115 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 0.893 132.9 -59.2 56.8 37.6 9.4 38.8 56.6 87 145 A G T 3 S+ 0 0 44 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.528 121.5 83.4 71.9 7.0 9.9 35.0 56.8 88 146 A R E < S-C 85 0C 48 -3,-1.7 -3,-3.1 1,-0.0 -1,-0.2 -0.936 82.5 -84.1-140.5 163.4 12.5 34.9 54.0 89 147 A P E -C 84 0C 0 0, 0.0 2,-0.5 0, 0.0 -5,-0.2 -0.200 29.4-142.3 -63.8 153.9 16.2 35.5 53.4 90 148 A R - 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