==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 09-MAY-13 3WAY . COMPND 2 MOLECULE: ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR H.NISHIMASU,R.ISHITANI,O.NUREKI . 787 4 15 11 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32972.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 468 59.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 91 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 1 0.1 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 . 38 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 113 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 16.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.5 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 4 2 1 3 2 4 1 0 2 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 2 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 PARALLEL BRIDGES PER LADDER . 6 4 1 4 4 0 1 0 1 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 2 2 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 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 51 A W 0 0 232 0, 0.0 2,-0.5 0, 0.0 33,-0.0 0.000 360.0 360.0 360.0 151.5 4.2 57.4 28.6 2 52 A T - 0 0 32 31,-0.2 2,-1.7 18,-0.1 20,-0.2 -0.929 360.0-136.6-115.6 125.8 2.6 54.0 29.7 3 53 A N B > -a 22 0A 70 18,-3.6 3,-1.5 -2,-0.5 20,-0.5 -0.558 24.6-178.6 -78.9 84.2 0.0 53.5 32.4 4 54 A T T 3 + 0 0 68 -2,-1.7 33,-2.2 1,-0.3 34,-0.2 0.697 65.4 81.1 -55.8 -23.9 1.5 50.4 34.1 5 55 A S T 3 S+ 0 0 92 31,-0.2 -1,-0.3 32,-0.1 31,-0.1 0.707 72.2 99.2 -63.5 -22.8 -1.3 50.1 36.7 6 56 A G S < S- 0 0 27 -3,-1.5 31,-0.8 1,-0.1 32,-0.4 0.084 72.0-115.2 -55.8 174.0 -3.6 48.4 34.2 7 57 A S - 0 0 56 29,-0.2 -1,-0.1 30,-0.1 2,-0.1 -0.906 10.2-147.8-127.0 149.4 -4.1 44.7 34.1 8 58 A a > + 0 0 0 -2,-0.3 3,-0.6 2,-0.0 2,-0.5 -0.314 48.2 140.0-102.3 45.1 -3.4 41.7 31.8 9 59 A K T 3 S- 0 0 66 1,-0.2 -2,-0.1 2,-0.1 30,-0.0 -0.800 86.3 -6.3 -87.2 129.6 -6.4 39.5 32.8 10 60 A G T 3 S+ 0 0 91 -2,-0.5 -1,-0.2 1,-0.1 -2,-0.0 0.778 121.1 91.2 55.3 26.5 -7.9 37.9 29.7 11 61 A R X + 0 0 58 -3,-0.6 3,-1.7 3,-0.1 -2,-0.1 0.329 49.1 143.3-124.8 -0.7 -5.4 40.0 27.8 12 62 A b T 3 S- 0 0 49 -4,-0.3 14,-0.1 1,-0.3 3,-0.1 -0.200 82.7 -14.7 -60.3 124.0 -2.5 37.6 27.6 13 63 A F T 3 S- 0 0 12 12,-1.8 -1,-0.3 1,-0.1 13,-0.2 0.866 91.5-178.2 52.7 42.3 -0.7 37.8 24.3 14 64 A E < - 0 0 24 -3,-1.7 13,-0.2 11,-0.3 -1,-0.1 -0.352 34.7-134.7 -73.1 154.5 -3.6 39.7 22.8 15 65 A L + 0 0 64 -3,-0.1 -1,-0.1 11,-0.1 2,-0.1 0.272 60.0 138.1 -93.7 13.9 -3.4 40.6 19.2 16 66 A Q - 0 0 115 -5,-0.1 2,-1.2 1,-0.1 9,-0.2 -0.325 58.7-132.3 -61.2 130.1 -4.6 44.2 20.1 17 67 A E + 0 0 108 -2,-0.1 2,-0.4 7,-0.0 -1,-0.1 -0.768 49.0 161.5 -79.0 99.7 -3.0 47.2 18.5 18 68 A V + 0 0 38 -2,-1.2 8,-0.1 3,-0.0 7,-0.1 -0.991 5.4 144.6-133.3 130.8 -2.6 49.1 21.8 19 69 A G > + 0 0 28 -2,-0.4 3,-1.2 1,-0.2 -2,-0.0 -0.536 32.0 36.1-140.5-154.7 -0.4 52.1 22.6 20 70 A P T 3 S- 0 0 113 0, 0.0 -1,-0.2 0, 0.0 -18,-0.1 -0.177 118.2 -0.8 -54.2 132.0 0.0 55.3 24.6 21 71 A P T 3 S+ 0 0 71 0, 0.0 -18,-3.6 0, 0.0 2,-0.0 -0.988 112.9 86.4 -98.0 4.7 -1.1 55.6 27.3 22 72 A D B < S-a 3 0A 98 -3,-1.2 2,-0.1 -20,-0.2 -18,-0.1 -0.320 77.3-117.7 -63.9 139.2 -2.7 52.2 27.7 23 73 A c - 0 0 8 -20,-0.5 12,-0.2 -21,-0.1 2,-0.2 -0.459 31.1-127.4 -79.3 152.7 -0.4 49.4 29.0 24 74 A R B -b 35 0B 42 10,-3.8 12,-2.0 -2,-0.1 15,-0.1 -0.535 27.0-176.9-106.7 163.0 0.3 46.4 26.7 25 75 A a + 0 0 0 10,-0.2 -12,-1.8 -2,-0.2 -11,-0.3 0.211 50.6 115.9-136.7 14.5 0.1 42.6 27.0 26 76 A D S > S- 0 0 16 -13,-0.2 3,-2.1 -14,-0.1 4,-0.4 -0.287 83.1 -92.4 -91.2 170.6 1.4 41.5 23.6 27 77 A N T 3 S+ 0 0 1 1,-0.3 199,-2.6 -13,-0.2 202,-0.2 0.644 123.7 44.5 -62.2 -11.3 4.5 39.6 22.7 28 78 A L T >> S+ 0 0 27 197,-0.2 3,-0.6 1,-0.1 4,-0.5 0.368 80.8 99.2-107.3 2.4 6.6 42.8 22.3 29 79 A d G X4>S+ 0 0 0 -3,-2.1 5,-1.8 1,-0.2 3,-1.5 0.877 78.7 56.0 -62.6 -40.0 5.5 44.8 25.4 30 80 A K G >45S+ 0 0 86 -4,-0.4 3,-1.2 1,-0.3 -1,-0.2 0.837 101.4 59.0 -58.0 -35.4 8.6 43.9 27.5 31 81 A S G <45S+ 0 0 47 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.638 113.5 38.5 -67.7 -16.9 10.9 45.2 24.8 32 82 A Y G <<5S- 0 0 100 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.2 0.251 106.7-122.3-114.6 11.2 9.1 48.6 25.2 33 83 A S T < 5S+ 0 0 108 -3,-1.2 -3,-0.2 -4,-0.2 -31,-0.2 0.947 80.7 119.6 39.9 57.7 8.7 48.6 29.0 34 84 A S < + 0 0 3 -5,-1.8 -10,-3.8 -6,-0.1 -4,-0.2 0.253 31.7 125.9-132.4 7.7 5.0 48.9 28.3 35 85 A d B -b 24 0B 20 -6,-0.4 -10,-0.2 -12,-0.2 -29,-0.0 -0.390 67.8-104.0 -73.1 147.9 3.6 45.8 29.9 36 86 A c > - 0 0 4 -12,-2.0 3,-1.7 1,-0.1 4,-0.4 -0.325 41.1-105.0 -60.8 155.0 0.9 45.9 32.5 37 87 A H T 3 S+ 0 0 105 -33,-2.2 3,-0.2 -31,-0.8 4,-0.2 0.755 119.6 43.0 -59.3 -26.1 2.3 45.3 36.0 38 88 A D T 3> S+ 0 0 12 -32,-0.4 4,-3.0 -34,-0.2 5,-0.5 0.291 77.9 108.1-107.3 6.9 0.9 41.7 36.2 39 89 A F H <>>S+ 0 0 4 -3,-1.7 4,-3.1 1,-0.2 5,-0.9 0.931 83.7 47.6 -45.1 -51.2 1.9 40.6 32.6 40 90 A D H 45S+ 0 0 87 -4,-0.4 4,-0.5 -3,-0.2 -1,-0.2 0.844 113.9 45.4 -67.0 -33.8 4.6 38.4 34.1 41 91 A E H 45S+ 0 0 129 -4,-0.2 -1,-0.2 -3,-0.2 -2,-0.2 0.916 127.1 27.4 -73.7 -41.1 2.4 36.8 36.7 42 92 A L H <5S+ 0 0 58 -4,-3.0 3,-0.3 2,-0.1 -2,-0.2 0.799 130.4 33.7 -90.7 -32.4 -0.6 36.2 34.4 43 93 A b T <5S+ 0 0 5 -4,-3.1 -3,-0.2 -5,-0.5 2,-0.1 0.752 114.5 51.2-102.6 -28.2 1.0 35.8 31.0 44 94 A L S + 0 0 99 18,-0.2 3,-2.3 -2,-0.1 -1,-0.1 0.431 23.8 141.1-123.3 -7.0 6.1 28.8 34.4 47 97 A A B 3 S-c 65 0C 32 17,-0.6 19,-1.9 1,-0.3 20,-0.5 -0.143 77.6 -5.3 -58.1 119.7 4.5 26.6 37.1 48 98 A R T 3 S- 0 0 146 17,-0.2 3,-0.4 18,-0.1 -1,-0.3 0.505 110.0-103.5 77.1 9.4 5.3 22.9 36.9 49 99 A G < - 0 0 24 -3,-2.3 18,-0.3 1,-0.2 17,-0.2 -0.281 46.9 -56.3 81.2-158.8 7.1 23.2 33.6 50 100 A W S S+ 0 0 48 16,-0.1 31,-0.5 2,-0.1 2,-0.4 0.397 102.2 72.5-112.0 1.8 6.2 22.5 30.0 51 101 A E S S- 0 0 86 -3,-0.4 2,-0.1 29,-0.1 16,-0.1 -0.965 70.4-127.0-127.5 136.0 5.2 18.8 30.0 52 102 A e - 0 0 4 -2,-0.4 2,-0.3 16,-0.1 -2,-0.1 -0.488 27.2-155.4 -64.7 142.3 2.3 16.8 31.3 53 103 A T >> - 0 0 61 -2,-0.1 3,-0.9 1,-0.0 4,-0.6 -0.824 31.2-102.8-115.0 162.9 3.3 13.9 33.5 54 104 A K G >4 S+ 0 0 169 -2,-0.3 3,-1.0 1,-0.3 -1,-0.0 0.848 120.1 53.4 -56.3 -38.3 1.2 10.8 34.1 55 105 A D G 34 S+ 0 0 120 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.833 101.2 58.8 -64.4 -34.8 0.0 12.0 37.5 56 106 A R G X4 S+ 0 0 6 -3,-0.9 3,-2.3 2,-0.1 2,-0.4 0.632 76.6 122.7 -73.2 -9.5 -1.2 15.3 36.2 57 107 A f T << S+ 0 0 45 -3,-1.0 13,-0.2 -4,-0.6 14,-0.0 -0.351 86.1 2.6 -63.3 111.2 -3.7 13.5 33.8 58 108 A G T 3 S+ 0 0 47 11,-2.9 -1,-0.3 -2,-0.4 12,-0.2 0.615 95.6 163.0 88.2 15.0 -7.2 14.7 34.5 59 109 A E B < -d 70 0D 32 -3,-2.3 12,-0.6 10,-0.5 2,-0.5 0.049 49.2 -92.0 -53.3 167.1 -6.1 17.1 37.2 60 110 A V - 0 0 139 10,-0.1 2,-0.6 11,-0.1 -1,-0.1 -0.792 53.8-100.0 -84.7 131.5 -8.2 19.9 38.4 61 111 A R - 0 0 39 -2,-0.5 2,-0.6 -3,-0.1 -1,-0.1 -0.350 40.7-173.8 -60.2 102.6 -7.5 23.0 36.4 62 112 A N > - 0 0 78 -2,-0.6 3,-1.8 1,-0.1 -1,-0.1 -0.897 16.1-153.7 -94.1 119.0 -5.1 25.3 38.3 63 113 A E T 3 S+ 0 0 90 -2,-0.6 -1,-0.1 1,-0.3 -18,-0.1 0.379 88.9 73.8 -73.8 5.6 -4.7 28.6 36.3 64 114 A E T 3 S+ 0 0 132 -18,-0.0 -17,-0.6 -19,-0.0 -1,-0.3 0.637 77.3 101.4 -87.5 -17.6 -1.3 29.0 37.9 65 115 A N B < S-c 47 0C 5 -3,-1.8 -17,-0.2 1,-0.1 -20,-0.1 -0.417 76.2-132.6 -73.5 142.5 0.1 26.3 35.7 66 116 A A S S- 0 0 5 -19,-1.9 2,-0.3 -17,-0.2 -21,-0.1 0.866 91.5 -5.2 -57.1 -41.7 2.2 27.0 32.6 67 117 A g S S- 0 0 1 -20,-0.5 2,-0.3 -18,-0.3 12,-0.2 -0.936 81.9-112.8-151.0 171.1 0.1 24.6 30.6 68 118 A H B +e 79 0E 5 10,-2.0 12,-2.3 -2,-0.3 15,-0.1 -0.749 24.1 179.8-123.4 154.4 -2.7 22.1 31.5 69 119 A e + 0 0 0 -2,-0.3 -11,-2.9 -13,-0.2 -10,-0.5 -0.001 51.3 125.2-134.1 20.1 -3.4 18.4 31.6 70 120 A S B > S-d 59 0D 3 -12,-0.2 3,-1.2 -13,-0.2 4,-0.3 -0.413 76.6-105.6 -80.9 159.0 -7.0 18.7 32.8 71 121 A E T 3 S+ 0 0 123 -12,-0.6 3,-0.4 1,-0.2 -1,-0.1 0.815 118.4 47.6 -54.1 -33.0 -9.9 17.1 31.0 72 122 A D T >> S+ 0 0 60 1,-0.2 4,-1.4 2,-0.1 3,-0.9 0.607 81.7 95.4 -86.8 -13.5 -11.1 20.5 29.6 73 123 A h H <>>S+ 0 0 0 -3,-1.2 5,-1.4 1,-0.2 4,-1.0 0.784 74.2 66.1 -53.2 -32.2 -7.7 21.8 28.3 74 124 A L H 345S+ 0 0 60 -3,-0.4 -1,-0.2 -4,-0.3 3,-0.2 0.864 106.8 35.2 -63.9 -44.8 -8.3 20.6 24.7 75 125 A S H <45S+ 0 0 113 -3,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.731 115.7 58.5 -81.8 -24.6 -11.2 22.8 23.7 76 126 A R H <5S- 0 0 110 -4,-1.4 -2,-0.2 1,-0.0 -1,-0.2 0.632 106.7-134.5 -71.9 -18.5 -9.7 25.6 25.8 77 127 A G T <5S+ 0 0 8 -4,-1.0 -3,-0.2 -3,-0.2 166,-0.1 0.572 75.9 101.8 77.0 13.7 -6.6 25.3 23.6 78 128 A D < + 0 0 23 -5,-1.4 -10,-2.0 162,-0.1 -4,-0.2 -0.029 39.4 134.5-125.3 31.6 -4.0 25.3 26.4 79 129 A h B -e 68 0E 8 -6,-0.4 -10,-0.2 -12,-0.2 2,-0.0 -0.446 68.0 -98.3 -62.7 147.6 -3.0 21.7 27.0 80 130 A g > - 0 0 0 -12,-2.3 3,-1.9 1,-0.1 4,-0.3 -0.409 43.0-111.3 -54.8 150.4 0.7 21.0 27.3 81 131 A T T 3 S+ 0 0 9 -31,-0.5 3,-0.2 1,-0.3 213,-0.2 0.740 117.6 48.6 -69.5 -20.9 1.8 19.8 23.9 82 132 A N T 3> S+ 0 0 19 -32,-0.3 4,-2.5 1,-0.2 3,-0.5 0.272 79.2 112.5 -98.0 10.2 2.4 16.2 25.1 83 133 A Y H <> S+ 0 0 5 -3,-1.9 4,-3.3 1,-0.2 5,-0.3 0.913 78.3 42.3 -47.5 -56.7 -1.0 16.1 26.8 84 134 A Q H > S+ 0 0 39 -4,-0.3 6,-2.3 1,-0.2 4,-1.3 0.750 113.4 53.9 -67.9 -26.9 -2.6 13.5 24.6 85 135 A V H 4 S+ 0 0 32 -3,-0.5 4,-0.5 4,-0.2 -1,-0.2 0.952 119.0 31.8 -72.2 -47.9 0.5 11.4 24.4 86 136 A V H < S+ 0 0 43 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.915 133.9 29.7 -74.0 -42.4 0.9 11.0 28.1 87 137 A f H < S+ 0 0 25 -4,-3.3 -3,-0.2 -5,-0.3 -2,-0.2 0.534 128.0 32.9-100.4 -11.8 -2.8 11.1 29.1 88 138 A K S < S- 0 0 102 -4,-1.3 -3,-0.1 -5,-0.3 -1,-0.1 0.137 101.9-109.2-137.0 20.3 -4.7 9.6 26.0 89 139 A G + 0 0 76 -4,-0.5 -4,-0.2 1,-0.2 2,-0.1 0.725 65.9 150.1 55.9 26.0 -2.3 7.0 24.6 90 140 A E - 0 0 82 -6,-2.3 2,-0.3 -8,-0.1 -1,-0.2 -0.446 44.2-117.4 -79.9 161.1 -1.5 9.0 21.5 91 141 A S - 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