==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-JUN-10 3NKN . COMPND 2 MOLECULE: ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR H.NISHIMASU,R.ISHITANI,E.MIHARA,J.TAKAGI,J.AOKI,O.NUREKI . 782 3 15 11 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32267.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 470 60.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 89 11.4 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 . 40 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 113 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 17.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.4 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 2 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 . 5 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 3 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 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 0 226 0, 0.0 2,-0.5 0, 0.0 33,-0.1 0.000 360.0 360.0 360.0 135.1 3.3 58.6 28.2 2 52 A T - 0 0 23 31,-0.2 2,-1.3 18,-0.2 20,-0.2 -0.908 360.0-133.6-109.6 132.5 1.8 55.2 28.9 3 53 A N B > -a 22 0A 63 18,-3.9 3,-1.5 -2,-0.5 20,-0.6 -0.659 22.2-178.4 -85.5 89.4 -0.5 54.5 31.8 4 54 A T T 3 + 0 0 58 -2,-1.3 33,-2.1 1,-0.3 34,-0.2 0.562 66.3 87.2 -66.0 -6.8 1.0 51.3 33.3 5 55 A S T 3 + 0 0 99 31,-0.2 -1,-0.3 32,-0.1 31,-0.1 0.729 69.9 93.6 -69.7 -20.3 -1.8 51.3 35.9 6 56 A G S < S- 0 0 31 -3,-1.5 31,-0.9 1,-0.1 2,-0.4 0.041 75.8-119.5 -58.7 177.0 -4.0 49.4 33.5 7 57 A S - 0 0 47 29,-0.2 -1,-0.1 30,-0.1 -2,-0.1 -0.960 9.2-144.3-129.4 145.9 -4.2 45.6 33.7 8 58 A a >> + 0 0 0 -2,-0.4 3,-2.5 16,-0.1 4,-0.6 0.153 50.9 146.8 -87.5 18.9 -3.5 42.8 31.2 9 59 A K T 34 S- 0 0 64 1,-0.3 -2,-0.1 2,-0.2 30,-0.0 -0.383 81.7 -6.7 -58.5 126.5 -6.4 40.8 32.6 10 60 A G T 34 S+ 0 0 92 -2,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.681 122.2 90.8 59.1 20.6 -7.9 38.8 29.8 11 61 A R T X4 + 0 0 55 -3,-2.5 3,-1.9 3,-0.1 -2,-0.2 0.365 46.6 145.6-124.0 -1.2 -5.5 40.7 27.4 12 62 A b T 3< S- 0 0 49 -4,-0.6 14,-0.2 1,-0.3 3,-0.1 -0.156 83.2 -10.7 -55.5 129.9 -2.3 38.6 27.3 13 63 A F T 3 S- 0 0 11 12,-2.3 -1,-0.3 1,-0.1 13,-0.2 0.850 90.1-178.4 45.0 41.6 -0.7 38.7 23.9 14 64 A E < - 0 0 19 -3,-1.9 13,-0.2 11,-0.2 -1,-0.1 -0.321 24.4-144.0 -60.5 151.4 -3.7 40.4 22.5 15 65 A L + 0 0 43 -3,-0.1 -1,-0.1 11,-0.1 205,-0.1 0.680 65.0 103.9 -98.0 -18.8 -3.4 41.1 18.8 16 66 A Q S S- 0 0 107 1,-0.1 2,-0.2 10,-0.0 10,-0.1 -0.313 78.8-108.2 -63.2 143.4 -5.2 44.5 18.6 17 67 A E - 0 0 104 7,-0.1 2,-0.4 9,-0.0 -1,-0.1 -0.551 37.6-176.2 -74.5 136.2 -3.1 47.6 18.3 18 68 A V - 0 0 29 -2,-0.2 8,-0.1 4,-0.0 7,-0.0 -0.919 1.8-179.4-142.2 111.0 -2.9 49.7 21.5 19 69 A G > - 0 0 40 -2,-0.4 3,-1.0 1,-0.2 15,-0.0 -0.556 35.4 -28.4-104.3 168.4 -1.1 53.1 21.6 20 70 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.2 0, 0.0 -18,-0.2 -0.141 114.7 32.6 -48.5 151.6 -0.6 55.6 24.5 21 71 A P T 3 S+ 0 0 73 0, 0.0 -18,-3.9 0, 0.0 -3,-0.0 -0.988 110.3 73.0 -84.4 -10.9 -1.9 56.5 26.8 22 72 A D B < S-a 3 0A 96 -3,-1.0 2,-0.1 -20,-0.2 -18,-0.1 -0.286 81.8-123.5 -61.4 141.1 -3.2 52.9 27.2 23 73 A c - 0 0 4 -20,-0.6 12,-0.2 -21,-0.1 2,-0.2 -0.472 26.7-123.7 -85.7 160.0 -0.7 50.3 28.3 24 74 A R B -b 35 0B 44 10,-3.9 12,-1.7 -2,-0.1 15,-0.1 -0.607 26.0-175.7-110.5 162.4 0.1 47.1 26.3 25 75 A a + 0 0 0 -2,-0.2 -12,-2.3 10,-0.2 -11,-0.2 0.155 51.8 118.2-136.0 14.2 0.1 43.3 26.8 26 76 A D S > S- 0 0 27 -13,-0.2 3,-1.5 -14,-0.2 4,-0.3 -0.245 83.3 -94.5 -77.9 170.1 1.4 42.3 23.4 27 77 A N T 3 S+ 0 0 1 1,-0.2 199,-0.6 -13,-0.2 3,-0.3 0.763 122.3 47.7 -56.1 -28.0 4.6 40.4 22.8 28 78 A L T >> S+ 0 0 37 1,-0.2 3,-0.7 2,-0.1 4,-0.7 0.356 78.5 99.7 -98.4 8.1 6.6 43.7 22.3 29 79 A d H X>>S+ 0 0 0 -3,-1.5 3,-1.4 1,-0.2 5,-1.4 0.893 76.7 59.1 -64.6 -38.3 5.4 45.8 25.2 30 80 A K H >45S+ 0 0 77 -4,-0.3 3,-0.6 1,-0.3 -1,-0.2 0.815 102.4 55.4 -60.2 -30.1 8.5 45.1 27.4 31 81 A S H <45S+ 0 0 47 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.689 113.6 40.1 -77.9 -19.7 10.7 46.6 24.6 32 82 A Y H <<5S- 0 0 84 -3,-1.4 -1,-0.2 -4,-0.7 -2,-0.2 0.319 105.7-125.4-107.1 4.5 8.6 49.8 24.7 33 83 A S T <<5S+ 0 0 106 -3,-0.6 -3,-0.2 -4,-0.5 -31,-0.2 0.967 80.4 115.9 44.1 61.3 8.3 50.0 28.4 34 84 A S < + 0 0 4 -5,-1.4 -10,-3.9 2,-0.1 -4,-0.2 0.167 34.0 129.2-142.4 10.2 4.5 50.2 27.9 35 85 A d B -b 24 0B 16 -6,-0.4 -10,-0.2 -12,-0.2 -29,-0.1 -0.378 65.5-106.6 -66.2 148.6 3.5 46.9 29.5 36 86 A c > - 0 0 4 -12,-1.7 3,-1.7 1,-0.1 4,-0.3 -0.324 38.4-101.9 -67.5 163.7 0.7 47.0 32.1 37 87 A H T 3 S+ 0 0 118 -33,-2.1 4,-0.2 -31,-0.9 -30,-0.1 0.657 121.0 45.4 -68.1 -16.9 1.9 46.6 35.7 38 88 A D T 3> S+ 0 0 12 -32,-0.3 4,-2.7 -34,-0.2 5,-0.4 0.084 78.2 108.5-116.7 24.1 0.7 43.0 35.7 39 89 A F H <>>S+ 0 0 0 -3,-1.7 4,-3.5 2,-0.2 5,-0.7 0.988 83.4 42.2 -60.1 -61.9 2.1 41.8 32.4 40 90 A D H >5S+ 0 0 79 -4,-0.3 4,-1.1 1,-0.2 -1,-0.2 0.883 118.8 48.1 -54.9 -39.5 4.9 39.6 33.7 41 91 A E H 45S+ 0 0 124 -4,-0.2 -1,-0.2 1,-0.1 -2,-0.2 0.909 123.7 27.8 -68.5 -46.0 2.6 38.3 36.4 42 92 A L H <5S+ 0 0 55 -4,-2.7 3,-0.3 1,-0.1 -2,-0.2 0.840 130.7 33.2 -85.9 -35.0 -0.4 37.5 34.1 43 93 A b H <5S+ 0 0 6 -4,-3.5 -3,-0.2 -5,-0.4 -2,-0.1 0.653 114.6 50.9-102.9 -17.8 1.2 36.8 30.8 44 94 A L S < + 0 0 98 18,-0.2 3,-2.3 -2,-0.1 -1,-0.1 0.457 25.1 142.6-127.0 -12.0 6.3 29.7 34.6 47 97 A A B 3 S-c 65 0C 33 17,-0.6 19,-2.7 1,-0.3 20,-0.4 -0.044 77.7 -2.0 -43.8 119.1 4.6 27.6 37.3 48 98 A R T 3 S- 0 0 131 17,-0.2 3,-0.5 18,-0.1 -1,-0.3 0.555 108.1-106.8 76.7 9.4 5.3 23.9 37.0 49 99 A G < - 0 0 27 -3,-2.3 18,-0.4 1,-0.2 17,-0.2 -0.202 47.6 -57.6 71.7-159.7 7.2 24.2 33.8 50 100 A W S S+ 0 0 49 16,-0.1 31,-0.5 2,-0.1 2,-0.4 0.322 100.3 77.6-113.8 5.1 6.2 23.3 30.2 51 101 A E - 0 0 87 -3,-0.5 2,-0.2 29,-0.1 16,-0.1 -0.948 67.8-127.8-127.2 136.7 5.2 19.6 30.4 52 102 A e - 0 0 3 -2,-0.4 2,-0.3 16,-0.1 -2,-0.1 -0.538 26.1-163.9 -68.0 141.8 2.3 17.5 31.6 53 103 A T >> - 0 0 61 -2,-0.2 3,-3.2 1,-0.0 4,-0.7 -0.926 34.9-104.7-123.4 154.5 3.2 14.7 33.9 54 104 A K G >4 S+ 0 0 81 -2,-0.3 3,-1.3 1,-0.3 -1,-0.0 0.838 119.4 59.7 -46.5 -39.6 0.9 11.7 34.8 55 105 A D G 34 S+ 0 0 123 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.546 103.6 52.5 -70.8 -6.0 0.1 13.2 38.2 56 106 A R G X4 S+ 0 0 3 -3,-3.2 3,-2.0 3,-0.1 -1,-0.3 0.580 78.8 122.5-100.8 -14.3 -1.3 16.3 36.6 57 107 A f T << S+ 0 0 47 -3,-1.3 13,-0.2 -4,-0.7 3,-0.1 -0.240 86.8 0.6 -59.0 131.6 -3.7 14.5 34.3 58 108 A G T 3 S+ 0 0 49 11,-1.9 -1,-0.3 1,-0.1 12,-0.2 0.760 95.9 161.5 60.1 26.3 -7.3 15.6 34.7 59 109 A E B < -d 70 0D 32 -3,-2.0 12,-0.6 10,-0.6 2,-0.4 -0.096 47.9 -97.1 -61.3 169.0 -6.2 18.1 37.4 60 110 A V - 0 0 134 10,-0.1 2,-0.3 11,-0.1 -1,-0.1 -0.802 53.0 -92.6 -88.1 142.2 -8.3 21.0 38.4 61 111 A R - 0 0 36 -2,-0.4 2,-0.6 -3,-0.1 -1,-0.1 -0.357 39.7-175.1 -62.4 113.4 -7.4 24.2 36.7 62 112 A N > - 0 0 83 -2,-0.3 3,-2.3 1,-0.1 -1,-0.1 -0.936 14.7-156.0-107.5 109.2 -4.9 26.4 38.5 63 113 A E T 3 S+ 0 0 89 -2,-0.6 -1,-0.1 1,-0.3 -18,-0.1 0.489 87.5 73.1 -63.8 -1.2 -4.5 29.6 36.5 64 114 A E T 3 S+ 0 0 102 -18,-0.0 -17,-0.6 -19,-0.0 -1,-0.3 0.668 77.6 99.6 -85.0 -18.3 -1.1 30.1 38.1 65 115 A N B < S-c 47 0C 6 -3,-2.3 -17,-0.2 1,-0.1 -20,-0.1 -0.364 78.2-128.3 -74.5 147.8 0.4 27.3 36.0 66 116 A A S S- 0 0 6 -19,-2.7 2,-0.3 -17,-0.2 -21,-0.1 0.916 91.8 -6.4 -58.1 -48.0 2.4 27.9 32.8 67 117 A g S S- 0 0 1 -20,-0.4 2,-0.3 -18,-0.4 12,-0.2 -0.922 81.3-111.1-144.6 172.2 0.2 25.4 30.8 68 118 A H B -e 79 0E 9 10,-2.1 12,-2.2 -2,-0.3 15,-0.1 -0.710 23.1-179.3-120.3 154.7 -2.6 23.1 31.7 69 119 A e + 0 0 0 -2,-0.3 -11,-1.9 10,-0.2 -10,-0.6 0.061 52.4 120.5-133.7 17.9 -3.4 19.4 31.9 70 120 A S B > S-d 59 0D 3 -12,-0.2 3,-1.9 -13,-0.2 4,-0.3 -0.448 78.4-104.8 -83.2 160.7 -7.0 19.7 33.1 71 121 A E T 3 S+ 0 0 126 -12,-0.6 3,-0.4 1,-0.3 4,-0.3 0.740 118.5 51.6 -61.1 -25.7 -9.9 18.3 31.1 72 122 A D T 3> S+ 0 0 55 1,-0.2 4,-1.4 2,-0.1 -1,-0.3 0.513 81.0 96.6 -86.8 -5.0 -11.0 21.7 29.8 73 123 A h H <>>S+ 0 0 0 -3,-1.9 5,-2.1 1,-0.2 4,-0.5 0.832 76.8 58.5 -61.8 -33.9 -7.5 22.6 28.5 74 124 A L H >45S+ 0 0 67 -3,-0.4 3,-1.2 -4,-0.3 -1,-0.2 0.952 108.8 40.0 -59.5 -57.6 -8.3 21.6 24.9 75 125 A S H 345S+ 0 0 114 1,-0.3 -1,-0.2 -4,-0.3 -2,-0.2 0.716 116.1 53.2 -71.0 -17.9 -11.3 23.8 24.1 76 126 A R H 3<5S- 0 0 118 -4,-1.4 -1,-0.3 0, 0.0 -2,-0.2 0.510 108.7-132.0 -90.0 -7.6 -9.5 26.6 26.0 77 127 A G T <<5S+ 0 0 10 -3,-1.2 -3,-0.2 -4,-0.5 166,-0.2 0.802 76.2 100.2 66.7 36.6 -6.5 26.1 23.8 78 128 A D < + 0 0 30 -5,-2.1 -10,-2.1 2,-0.1 -4,-0.2 0.064 36.6 137.0-146.3 31.4 -3.8 26.0 26.5 79 129 A h B -e 68 0E 9 -6,-0.5 -10,-0.2 -12,-0.2 2,-0.1 -0.412 67.9 -96.2 -62.0 150.7 -2.9 22.5 27.2 80 130 A g > - 0 0 0 -12,-2.2 3,-1.8 1,-0.1 4,-0.3 -0.429 44.5-109.8 -57.4 150.7 0.9 21.8 27.6 81 131 A T T 3 S+ 0 0 7 -31,-0.5 3,-0.2 1,-0.3 4,-0.2 0.737 117.1 48.8 -65.6 -22.0 1.9 20.5 24.2 82 132 A N T 3> S+ 0 0 18 -32,-0.3 4,-2.3 1,-0.2 5,-0.3 0.250 78.1 112.2 -99.4 12.1 2.4 17.0 25.4 83 133 A Y H <> S+ 0 0 5 -3,-1.8 4,-3.4 1,-0.2 5,-0.4 0.914 77.0 44.5 -52.5 -54.6 -0.9 16.8 27.2 84 134 A Q H > S+ 0 0 34 -4,-0.3 4,-2.0 -3,-0.2 6,-1.9 0.851 112.5 51.5 -62.9 -37.2 -2.5 14.2 24.9 85 135 A V H > S+ 0 0 35 4,-0.2 4,-0.5 -4,-0.2 -1,-0.2 0.932 120.8 33.8 -64.1 -42.7 0.5 11.9 24.8 86 136 A V H < S+ 0 0 56 -4,-2.3 -2,-0.2 2,-0.1 -3,-0.2 0.891 132.4 28.0 -81.8 -40.1 0.8 11.9 28.6 87 137 A f H < S+ 0 0 27 -4,-3.4 -3,-0.2 -5,-0.3 -2,-0.2 0.645 130.4 30.6-100.6 -20.3 -2.8 12.0 29.6 88 138 A K H < S- 0 0 110 -4,-2.0 -3,-0.2 -5,-0.4 -2,-0.1 0.217 101.6-110.5-128.9 12.9 -4.7 10.4 26.6 89 139 A G < + 0 0 70 -4,-0.5 -4,-0.2 1,-0.2 -3,-0.1 0.638 64.8 147.1 67.7 16.1 -2.3 7.8 25.2 90 140 A E - 0 0 87 -6,-1.9 2,-0.3 -7,-0.1 -1,-0.2 -0.297 46.8-112.1 -74.6 167.6 -1.6 9.7 21.9 91 141 A S - 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