==== 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 27-AUG-03 1QVJ . COMPND 2 MOLECULE: ADP-RIBOSE PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.W.SHEN,A.-L.PERRAUD,A.S.SCHARENBERG,B.L.STODDARD . 292 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16147.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 58.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 12.7 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 . 1 0.3 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 . 35 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 40 13.7 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 2 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 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 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 . 4 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 0 239 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 33.3 33.1 49.9 49.3 2 60 A N - 0 0 159 0, 0.0 2,-0.1 0, 0.0 3,-0.1 -0.950 360.0-148.4-120.2 118.2 31.7 48.3 46.2 3 61 A S - 0 0 33 -2,-0.5 2,-0.1 1,-0.1 91,-0.1 -0.374 35.9 -90.1 -75.8 156.8 28.0 47.3 45.9 4 62 A H + 0 0 10 89,-0.4 -1,-0.1 1,-0.1 207,-0.0 -0.461 46.9 177.8 -66.2 139.3 26.9 44.3 43.9 5 63 A N > + 0 0 91 -2,-0.1 3,-1.6 2,-0.1 -1,-0.1 0.754 69.6 55.0-115.0 -39.1 26.2 45.5 40.4 6 64 A K G > S+ 0 0 86 1,-0.3 3,-1.4 2,-0.2 -2,-0.1 0.844 103.3 61.7 -64.7 -32.4 25.1 42.5 38.2 7 65 A A G 3 S+ 0 0 0 1,-0.3 -1,-0.3 208,-0.1 -2,-0.1 0.421 104.5 48.7 -73.6 -0.9 22.5 41.8 40.8 8 66 A R G < S+ 0 0 43 -3,-1.6 -1,-0.3 89,-0.1 2,-0.2 0.043 85.2 114.7-125.3 23.5 20.9 45.2 40.1 9 67 A T < - 0 0 67 -3,-1.4 10,-0.1 2,-0.1 -3,-0.0 -0.630 59.8 -98.8 -93.3 154.5 20.8 45.0 36.3 10 68 A S S S+ 0 0 53 -2,-0.2 2,-0.2 2,-0.1 8,-0.1 -0.929 86.1 33.6-131.7 157.2 17.5 44.9 34.3 11 69 A P S S- 0 0 62 0, 0.0 7,-0.2 0, 0.0 3,-0.1 0.681 89.9-112.9 -77.6 168.8 15.6 43.4 32.9 12 70 A Y > - 0 0 1 5,-2.4 3,-1.7 -2,-0.2 5,-0.3 -0.401 51.5 -77.6 -64.2 140.3 15.8 40.2 35.1 13 71 A P T 3 S+ 0 0 39 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.080 115.2 5.3 -43.6 128.1 17.3 37.3 33.1 14 72 A G T 3 S+ 0 0 85 1,-0.2 2,-0.3 -3,-0.1 -2,-0.1 0.679 122.2 72.9 70.2 22.3 14.8 35.6 30.8 15 73 A S S < S- 0 0 30 -3,-1.7 -1,-0.2 2,-0.1 28,-0.0 -0.879 78.9-124.8-150.3 178.5 12.1 38.2 31.5 16 74 A K + 0 0 191 -2,-0.3 2,-0.2 -3,-0.1 -2,-0.0 0.236 64.4 133.7-113.3 8.1 11.1 41.7 30.7 17 75 A V - 0 0 35 -5,-0.3 -5,-2.4 -4,-0.1 2,-0.5 -0.415 47.2-146.8 -65.7 129.8 10.8 42.5 34.4 18 76 A E - 0 0 118 -7,-0.2 -8,-0.1 -2,-0.2 21,-0.1 -0.871 13.8-131.6-100.1 125.7 12.5 45.8 35.4 19 77 A R - 0 0 17 -2,-0.5 79,-0.2 1,-0.1 78,-0.1 -0.381 29.4-100.7 -72.8 154.3 14.0 45.9 38.9 20 78 A S - 0 0 31 77,-2.6 2,-0.2 19,-0.1 -1,-0.1 -0.475 48.8 -98.2 -72.0 149.7 13.2 48.9 41.2 21 79 A Q - 0 0 156 -2,-0.1 76,-0.1 -3,-0.1 -1,-0.1 -0.519 35.9-164.3 -74.3 133.8 16.1 51.4 41.2 22 80 A V - 0 0 4 -2,-0.2 5,-0.1 -14,-0.2 -1,-0.0 -0.913 14.4-139.8-123.7 105.4 18.5 51.2 44.2 23 81 A P > - 0 0 48 0, 0.0 3,-2.2 0, 0.0 4,-0.1 -0.338 26.2-119.4 -57.1 140.0 20.8 54.2 44.8 24 82 A N G > S+ 0 0 104 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.845 113.5 59.3 -53.5 -35.6 24.2 52.8 45.7 25 83 A E G 3 S+ 0 0 159 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.693 106.3 49.3 -68.2 -15.9 24.0 54.6 49.1 26 84 A K G < S+ 0 0 56 -3,-2.2 -1,-0.3 1,-0.1 69,-0.2 0.165 79.9 98.3-108.2 15.9 20.9 52.6 49.9 27 85 A V < + 0 0 6 -3,-1.5 68,-2.6 -4,-0.1 2,-0.2 0.932 63.7 85.6 -68.1 -44.1 22.2 49.2 49.0 28 86 A G S > S- 0 0 33 -4,-0.4 3,-1.8 66,-0.2 66,-0.1 -0.370 74.8-141.3 -64.2 130.2 22.9 48.2 52.6 29 87 A W T 3 S+ 0 0 45 1,-0.3 -1,-0.2 62,-0.2 4,-0.1 0.785 101.4 67.9 -59.9 -25.8 20.0 46.8 54.6 30 88 A L T 3 S+ 0 0 173 2,-0.1 2,-0.4 0, 0.0 -1,-0.3 0.800 81.7 90.1 -64.4 -28.0 21.3 48.8 57.5 31 89 A V S < S- 0 0 57 -3,-1.8 2,-0.2 1,-0.1 -5,-0.0 -0.560 86.7-120.6 -73.5 128.5 20.3 52.0 55.7 32 90 A E + 0 0 142 -2,-0.4 2,-0.1 1,-0.1 -2,-0.1 -0.474 41.9 161.1 -70.8 134.8 16.8 53.0 56.5 33 91 A W > + 0 0 51 -2,-0.2 3,-1.8 -4,-0.1 -1,-0.1 -0.529 10.1 174.2-156.8 79.3 14.5 53.2 53.4 34 92 A Q T 3 S+ 0 0 146 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.815 82.3 53.3 -57.0 -36.1 10.8 53.2 54.3 35 93 A D T 3 S+ 0 0 124 2,-0.0 -1,-0.3 0, 0.0 2,-0.1 0.427 73.4 133.8 -83.5 1.7 9.8 53.8 50.8 36 94 A Y < + 0 0 34 -3,-1.8 -3,-0.1 1,-0.1 -14,-0.1 -0.341 29.7 178.2 -55.6 121.2 11.8 50.9 49.3 37 95 A K - 0 0 170 -2,-0.1 -1,-0.1 60,-0.0 -2,-0.0 -0.667 6.8-168.4-130.6 80.9 9.4 49.2 47.0 38 96 A P - 0 0 36 0, 0.0 60,-0.3 0, 0.0 2,-0.2 -0.340 27.9-111.4 -68.5 147.6 11.0 46.2 45.1 39 97 A V E -a 98 0A 55 58,-2.0 60,-2.7 -21,-0.1 2,-0.5 -0.561 31.6-126.2 -76.8 143.9 9.2 44.6 42.3 40 98 A E E +a 99 0A 143 -2,-0.2 2,-0.3 58,-0.2 60,-0.2 -0.789 41.2 153.2 -97.3 132.5 8.0 41.1 43.0 41 99 A Y E + 0 0 47 58,-2.9 61,-2.1 -2,-0.5 2,-0.4 -0.873 19.4 167.1-164.1 128.3 8.9 38.3 40.7 42 100 A T E -a 102 0A 17 -2,-0.3 61,-0.2 59,-0.2 5,-0.1 -0.996 44.5-107.5-135.4 131.2 9.5 34.5 40.6 43 101 A A >> - 0 0 4 59,-2.9 4,-2.9 -2,-0.4 3,-1.2 -0.269 20.8-122.6 -62.1 145.3 9.8 32.7 37.3 44 102 A V H 3> S+ 0 0 117 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.913 113.8 59.1 -50.6 -45.2 7.0 30.5 36.2 45 103 A S H 34 S+ 0 0 57 1,-0.2 -1,-0.3 2,-0.2 8,-0.1 0.797 111.2 40.5 -56.9 -31.7 9.4 27.6 36.0 46 104 A V H X4 S+ 0 0 1 -3,-1.2 3,-1.6 56,-0.2 -1,-0.2 0.866 113.4 52.8 -83.7 -40.5 10.2 28.1 39.7 47 105 A L H 3< S+ 0 0 83 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.824 96.3 69.5 -63.3 -29.8 6.5 28.7 40.6 48 106 A A T 3< S- 0 0 81 -4,-2.7 -1,-0.3 -5,-0.3 -2,-0.2 0.647 108.7-125.9 -64.6 -13.6 5.6 25.5 38.9 49 107 A G < - 0 0 49 -3,-1.6 -3,-0.1 -5,-0.2 -2,-0.1 0.888 36.0-176.1 74.1 44.0 7.4 23.7 41.7 50 108 A P > - 0 0 37 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.148 45.3 -94.3 -66.6 167.9 10.0 21.4 40.1 51 109 A R T 3 S+ 0 0 227 1,-0.3 -2,-0.0 110,-0.0 0, 0.0 0.741 125.1 53.7 -56.5 -25.4 12.0 19.1 42.4 52 110 A W T 3 S+ 0 0 113 2,-0.1 2,-0.3 109,-0.0 -1,-0.3 0.395 98.8 79.3 -91.3 4.2 14.9 21.6 42.6 53 111 A A S < S- 0 0 11 -3,-2.1 53,-0.2 -8,-0.1 52,-0.1 -0.866 74.7-127.1-116.5 146.6 12.7 24.5 43.8 54 112 A D - 0 0 5 51,-3.3 -5,-0.1 -2,-0.3 3,-0.1 -0.385 34.0-103.3 -80.0 165.4 11.3 25.3 47.2 55 113 A P - 0 0 39 0, 0.0 -1,-0.1 0, 0.0 52,-0.1 -0.269 51.6 -82.9 -77.4 175.1 7.5 25.9 47.7 56 114 A Q > - 0 0 97 -9,-0.1 3,-1.0 1,-0.1 6,-0.2 -0.452 43.0-109.2 -75.0 157.5 6.4 29.5 48.1 57 115 A I T 3 S+ 0 0 35 1,-0.2 -1,-0.1 -2,-0.1 5,-0.1 0.835 117.0 57.8 -57.8 -32.8 6.8 30.8 51.7 58 116 A S T 3 S+ 0 0 101 3,-0.1 -1,-0.2 0, 0.0 2,-0.0 0.757 71.6 119.9 -70.5 -26.3 3.0 30.8 52.2 59 117 A E X - 0 0 97 -3,-1.0 3,-2.5 1,-0.1 0, 0.0 -0.203 69.5-129.8 -48.7 112.4 2.6 27.1 51.4 60 118 A S T 3 S+ 0 0 124 1,-0.3 -1,-0.1 -2,-0.0 -3,-0.0 0.729 99.9 37.4 -30.5 -56.4 1.0 25.8 54.7 61 119 A N T 3 S+ 0 0 127 2,-0.0 2,-0.7 0, 0.0 -1,-0.3 0.473 87.6 110.1 -86.4 -1.2 3.3 22.9 55.3 62 120 A F < + 0 0 28 -3,-2.5 -8,-0.0 -6,-0.2 0, 0.0 -0.658 34.9 163.9 -78.8 112.2 6.5 24.5 54.1 63 121 A S - 0 0 97 -2,-0.7 -1,-0.1 2,-0.0 -6,-0.0 -0.644 18.3-164.7-129.0 76.1 8.7 25.2 57.1 64 122 A P - 0 0 31 0, 0.0 2,-0.9 0, 0.0 -2,-0.0 -0.253 16.5-140.9 -63.1 144.8 12.3 25.9 56.0 65 123 A K > - 0 0 120 3,-0.1 3,-0.6 5,-0.0 10,-0.2 -0.757 28.7-159.6-104.6 82.5 15.2 25.7 58.4 66 124 A F T 3 + 0 0 29 -2,-0.9 10,-0.1 1,-0.2 3,-0.1 -0.158 66.9 25.9 -63.3 157.8 17.3 28.7 57.2 67 125 A N T 3 S+ 0 0 36 8,-1.0 2,-0.3 1,-0.2 9,-0.3 0.776 115.9 66.5 59.7 30.4 21.0 29.1 58.0 68 126 A E S < S- 0 0 83 -3,-0.6 7,-1.7 5,-0.1 2,-0.6 -0.988 98.8 -72.3-164.7 170.5 21.4 25.3 58.4 69 127 A K E -B 74 0B 115 -2,-0.3 2,-0.6 5,-0.2 5,-0.2 -0.645 45.2-171.6 -72.6 119.4 21.3 21.9 56.8 70 128 A D E > -B 73 0B 33 3,-2.9 3,-1.0 -2,-0.6 2,-0.5 -0.701 52.1 -75.3-116.2 74.3 17.6 21.4 56.1 71 129 A G T 3 S- 0 0 49 -2,-0.6 -1,-0.1 1,-0.3 91,-0.0 -0.576 113.1 -8.4 75.3-122.1 17.4 17.8 54.9 72 130 A H T 3 S+ 0 0 146 -2,-0.5 90,-2.4 -3,-0.1 2,-0.5 0.239 125.3 83.9 -93.8 14.4 18.7 17.4 51.4 73 131 A V E < S-B 70 0B 22 -3,-1.0 -3,-2.9 88,-0.2 2,-0.8 -0.968 71.0-147.5-122.1 119.3 18.8 21.2 51.1 74 132 A E E +B 69 0B 66 -2,-0.5 37,-0.2 -5,-0.2 -5,-0.2 -0.752 22.9 170.7 -85.1 111.6 21.9 23.1 52.4 75 133 A R + 0 0 7 -7,-1.7 -8,-1.0 -2,-0.8 2,-0.2 0.452 39.3 110.2-102.4 -0.5 20.6 26.4 53.6 76 134 A K - 0 0 93 -9,-0.3 2,-0.3 -10,-0.1 5,-0.1 -0.514 63.9-135.5 -74.9 140.3 23.8 27.6 55.3 77 135 A S > - 0 0 12 3,-0.3 3,-1.1 -2,-0.2 -2,-0.1 -0.733 7.7-136.6 -91.5 148.0 25.4 30.6 53.5 78 136 A K T 3 S+ 0 0 52 -2,-0.3 130,-0.1 1,-0.2 -1,-0.1 0.343 103.2 60.8 -86.8 9.8 29.2 30.3 53.2 79 137 A N T 3 S- 0 0 83 1,-0.5 -1,-0.2 130,-0.0 2,-0.2 0.183 118.2-100.2-113.4 10.0 29.5 34.0 54.2 80 138 A G S < S- 0 0 42 -3,-1.1 -1,-0.5 2,-0.0 -3,-0.3 -0.520 72.2 -7.7 101.8-170.1 27.9 33.4 57.6 81 139 A L - 0 0 150 -2,-0.2 2,-0.4 -3,-0.1 -5,-0.1 -0.242 56.3-156.3 -63.8 145.2 24.4 34.0 58.8 82 140 A Y - 0 0 9 -5,-0.0 9,-0.1 9,-0.0 -1,-0.0 -0.943 25.8-106.7-120.2 144.0 21.8 35.9 56.7 83 141 A E - 0 0 112 -2,-0.4 7,-1.7 7,-0.3 2,-0.5 -0.317 17.6-143.1 -71.6 152.2 18.8 37.7 58.2 84 142 A I E +C 89 0C 70 5,-0.2 2,-0.4 -18,-0.1 3,-0.1 -0.986 27.9 169.8-112.9 118.7 15.2 36.4 58.0 85 143 A E E > +C 88 0C 91 3,-2.9 3,-1.3 -2,-0.5 -2,-0.0 -0.999 67.4 1.5-136.1 130.5 12.8 39.3 57.6 86 144 A N T 3 S- 0 0 117 -2,-0.4 -1,-0.1 1,-0.2 0, 0.0 0.881 132.4 -58.6 61.6 37.4 9.1 39.0 56.8 87 145 A G T 3 S+ 0 0 44 1,-0.2 -1,-0.2 -3,-0.1 -3,-0.0 0.433 120.7 84.1 75.2 0.6 9.6 35.2 56.9 88 146 A R E < S-C 85 0C 52 -3,-1.3 -3,-2.9 1,-0.1 -1,-0.2 -0.906 82.8 -85.7-135.2 162.7 12.2 35.1 54.2 89 147 A P E -C 84 0C 0 0, 0.0 2,-0.5 0, 0.0 -5,-0.2 -0.189 31.6-139.7 -61.8 154.0 16.0 35.5 53.6 90 148 A R - 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