==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-APR-11 3RL3 . COMPND 2 MOLECULE: METALLOPHOSPHOESTERASE MPPED2; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR M.PODOBNIK,U.DERMOL . 276 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12319.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 173 62.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 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-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 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 15.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 1 1 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 1 4 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 0 PARALLEL BRIDGES PER LADDER . 0 2 0 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 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 11 A V 0 0 121 0, 0.0 2,-0.6 0, 0.0 227,-0.0 0.000 360.0 360.0 360.0 125.2 -4.6 -15.5 6.7 2 12 A T - 0 0 125 225,-0.0 2,-0.4 226,-0.0 185,-0.0 -0.961 360.0-150.4-109.9 119.4 -3.6 -12.6 4.5 3 13 A I - 0 0 10 -2,-0.6 2,-0.3 180,-0.1 217,-0.0 -0.730 15.9-172.0 -85.9 133.9 -6.4 -10.5 3.1 4 14 A T - 0 0 101 -2,-0.4 2,-0.1 1,-0.0 219,-0.0 -0.848 39.9 -75.0-120.4 163.7 -5.8 -9.0 -0.3 5 15 A V - 0 0 53 -2,-0.3 2,-0.1 1,-0.1 175,-0.0 -0.339 57.1-116.1 -60.2 131.3 -7.9 -6.5 -2.3 6 16 A D > - 0 0 13 1,-0.1 3,-1.7 -2,-0.1 4,-0.3 -0.395 9.6-124.6 -72.4 145.2 -10.9 -8.2 -3.7 7 17 A E T 3 S+ 0 0 170 1,-0.3 3,-0.3 2,-0.1 -1,-0.1 0.810 116.0 40.1 -50.6 -33.3 -11.5 -8.5 -7.4 8 18 A Y T > S+ 0 0 64 1,-0.2 3,-1.8 2,-0.1 7,-0.4 0.199 80.4 120.1-107.7 17.3 -14.9 -6.8 -6.9 9 19 A S T < S+ 0 0 3 -3,-1.7 210,-0.4 1,-0.3 -1,-0.2 0.821 73.3 48.5 -49.9 -46.0 -13.7 -4.2 -4.3 10 20 A S T 3 S+ 0 0 84 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.563 112.6 50.7 -76.6 -9.4 -14.7 -1.1 -6.3 11 21 A N <> + 0 0 89 -3,-1.8 4,-2.5 1,-0.1 -1,-0.2 -0.677 61.3 176.0-133.3 76.8 -18.2 -2.4 -7.1 12 22 A P H > S+ 0 0 11 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.841 80.2 54.4 -55.0 -38.3 -19.9 -3.5 -3.9 13 23 A T H > S+ 0 0 31 202,-0.5 4,-2.2 1,-0.2 5,-0.2 0.949 113.3 43.3 -64.0 -42.6 -23.3 -4.3 -5.6 14 24 A Q H > S+ 0 0 105 -3,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.858 111.5 54.8 -68.4 -35.8 -21.5 -6.6 -8.1 15 25 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 -7,-0.4 5,-0.2 0.921 107.7 50.9 -59.0 -43.6 -19.4 -8.1 -5.3 16 26 A F H X S+ 0 0 34 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.964 113.0 43.7 -58.5 -55.2 -22.6 -9.0 -3.4 17 27 A T H X S+ 0 0 72 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.916 112.6 54.3 -56.3 -46.0 -24.1 -10.7 -6.5 18 28 A H H X S+ 0 0 37 -4,-2.7 4,-2.4 1,-0.2 5,-0.3 0.934 110.7 43.3 -54.5 -51.6 -20.8 -12.4 -7.2 19 29 A Y H X S+ 0 0 17 -4,-2.6 6,-1.9 2,-0.2 4,-1.8 0.808 113.1 52.4 -72.2 -27.1 -20.5 -13.9 -3.8 20 30 A N H X S+ 0 0 27 -4,-2.2 4,-1.3 4,-0.3 -1,-0.2 0.934 112.4 45.7 -66.9 -46.4 -24.1 -14.9 -3.7 21 31 A I H < S+ 0 0 124 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.925 124.2 31.9 -60.0 -45.7 -23.9 -16.7 -7.1 22 32 A N H < S+ 0 0 112 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.757 139.0 10.6 -89.3 -27.9 -20.6 -18.5 -6.3 23 33 A Q H < S- 0 0 111 -4,-1.8 -3,-0.2 -5,-0.3 -2,-0.2 0.354 86.0-122.0-135.2 0.1 -20.7 -19.2 -2.6 24 34 A S >< + 0 0 76 -4,-1.3 3,-1.7 -5,-0.3 -4,-0.3 0.863 52.9 164.9 54.1 37.0 -24.2 -18.4 -1.4 25 35 A R T 3 + 0 0 21 -6,-1.9 -5,-0.2 1,-0.3 -1,-0.1 0.742 69.0 32.7 -62.6 -28.8 -22.4 -16.0 0.9 26 36 A F T 3 S+ 0 0 17 -10,-0.2 -1,-0.3 2,-0.1 -6,-0.1 0.082 101.9 105.3-116.1 26.0 -25.4 -13.9 1.9 27 37 A Q <> - 0 0 88 -3,-1.7 4,-2.0 1,-0.1 3,-0.3 -0.626 62.9 -68.2-108.1 154.9 -28.0 -16.7 1.8 28 38 A P T 4 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.319 97.2 41.5 -63.1 162.4 -30.0 -18.7 4.3 29 39 A P T 4 S+ 0 0 102 0, 0.0 220,-0.1 0, 0.0 0, 0.0 -0.978 128.9 30.0 -83.6 -13.8 -29.8 -20.8 6.4 30 40 A H T 4 S+ 0 0 130 -3,-0.3 2,-0.6 1,-0.1 220,-0.1 0.869 116.1 56.9 -76.0 -37.0 -26.6 -19.2 7.8 31 41 A V S < S+ 0 0 11 -4,-2.0 2,-0.3 217,-0.2 217,-0.2 -0.852 73.9 127.1 -98.3 123.8 -27.2 -15.6 6.9 32 42 A H E -A 247 0A 93 215,-1.6 215,-2.1 -2,-0.6 217,-0.1 -0.987 58.6 -82.9-164.5 161.4 -30.3 -14.1 8.3 33 43 A M E -A 246 0A 89 -2,-0.3 2,-0.5 213,-0.2 213,-0.3 -0.389 36.9-143.7 -65.2 147.1 -31.9 -11.2 10.3 34 44 A V - 0 0 52 211,-2.6 211,-0.5 -2,-0.1 -1,-0.0 -0.975 16.9-125.9-117.3 126.3 -31.8 -11.5 14.0 35 45 A D - 0 0 138 -2,-0.5 2,-0.0 1,-0.1 209,-0.0 -0.409 29.2-109.9 -69.7 145.1 -34.8 -10.2 15.9 36 46 A P - 0 0 97 0, 0.0 -1,-0.1 0, 0.0 236,-0.1 -0.377 26.5-129.8 -70.5 152.8 -34.1 -7.6 18.7 37 47 A I - 0 0 68 234,-0.4 234,-0.4 -2,-0.0 2,-0.0 -0.867 26.5-110.2-102.3 143.5 -34.6 -8.7 22.3 38 48 A P > - 0 0 79 0, 0.0 3,-2.0 0, 0.0 -1,-0.0 -0.279 25.3-111.5 -71.4 158.3 -36.6 -6.5 24.6 39 49 A Y T 3 S+ 0 0 84 1,-0.3 28,-0.1 -2,-0.0 -2,-0.0 0.679 113.3 60.4 -65.9 -24.0 -35.0 -4.5 27.4 40 50 A D T 3 S+ 0 0 139 2,-0.1 -1,-0.3 26,-0.0 3,-0.0 0.350 72.9 124.4 -86.8 7.7 -36.6 -6.6 30.1 41 51 A T S < S- 0 0 40 -3,-2.0 2,-0.1 1,-0.1 -4,-0.0 -0.522 71.6-112.8 -64.0 125.1 -34.9 -9.8 28.9 42 52 A P - 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.409 24.8-132.7 -58.7 135.6 -33.0 -11.2 31.9 43 53 A K - 0 0 53 -2,-0.1 4,-0.1 4,-0.0 3,-0.1 -0.817 23.3-126.1 -89.3 122.2 -29.2 -11.0 31.3 44 54 A P > - 0 0 65 0, 0.0 3,-0.7 0, 0.0 -1,-0.0 -0.329 31.2 -97.0 -68.2 152.8 -27.6 -14.4 32.2 45 55 A A T 3 S+ 0 0 92 1,-0.2 3,-0.1 230,-0.0 0, 0.0 -0.219 108.0 34.3 -66.2 157.2 -24.7 -14.3 34.7 46 56 A G T 3 S+ 0 0 48 1,-0.3 230,-2.9 229,-0.1 2,-0.3 0.757 102.4 103.5 68.1 22.8 -21.2 -14.4 33.3 47 57 A H E < -G 275 0B 51 -3,-0.7 2,-0.4 228,-0.3 -1,-0.3 -0.934 63.7-137.0-131.9 158.3 -22.3 -12.2 30.3 48 58 A T E -G 274 0B 0 226,-2.6 226,-2.1 -2,-0.3 2,-0.7 -0.957 13.5-141.2-117.7 131.8 -22.0 -8.6 29.4 49 59 A R E -G 273 0B 0 -2,-0.4 20,-2.5 224,-0.2 21,-2.0 -0.844 17.1-157.5 -94.7 114.4 -24.9 -6.7 28.0 50 60 A F E -Gh 272 70B 0 222,-3.3 222,-2.1 -2,-0.7 2,-0.6 -0.802 4.4-152.7 -93.6 131.3 -23.8 -4.3 25.3 51 61 A V E -Gh 271 71B 0 19,-3.0 21,-2.9 -2,-0.5 2,-0.5 -0.939 18.1-158.2-104.4 116.7 -26.0 -1.3 24.5 52 62 A C E +Gh 270 72B 0 218,-3.2 218,-2.3 -2,-0.6 2,-0.3 -0.867 23.0 151.5-110.8 123.4 -25.4 -0.3 20.9 53 63 A I E + h 0 73B 0 19,-2.6 21,-1.9 -2,-0.5 2,-0.3 -0.883 8.1 165.3-137.4 168.5 -26.1 3.1 19.4 54 64 A S B +k 257 0C 0 202,-0.7 204,-3.2 -2,-0.3 205,-0.5 -0.962 53.7 36.2-170.8 160.9 -24.7 5.2 16.5 55 65 A D + 0 0 0 20,-3.0 204,-1.2 -2,-0.3 22,-0.2 0.905 56.6 154.0 53.2 49.6 -25.4 8.2 14.4 56 66 A T > - 0 0 0 20,-0.4 3,-2.7 19,-0.3 21,-0.2 0.705 32.8-158.9 -82.3 -25.2 -27.0 10.2 17.2 57 67 A H T 3 - 0 0 2 19,-2.8 21,-0.2 1,-0.3 20,-0.2 0.800 66.8 -57.2 53.6 41.0 -26.0 13.4 15.4 58 68 A S T 3 S+ 0 0 26 19,-0.5 2,-0.4 18,-0.1 -1,-0.3 0.559 112.0 118.4 67.4 13.4 -26.3 15.5 18.6 59 69 A R < + 0 0 113 -3,-2.7 3,-0.2 1,-0.2 -1,-0.1 -0.388 28.4 122.5-105.4 54.0 -30.0 14.4 19.1 60 70 A T > + 0 0 2 -2,-0.4 3,-1.4 1,-0.2 -1,-0.2 0.635 40.7 91.5 -90.3 -16.4 -29.5 12.7 22.4 61 71 A D T 3 S+ 0 0 128 -3,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.833 95.0 34.7 -56.4 -39.1 -32.0 14.6 24.6 62 72 A G T 3 S+ 0 0 61 -3,-0.2 2,-0.3 2,-0.1 -1,-0.3 0.427 83.5 126.1 -97.8 3.3 -35.0 12.3 24.0 63 73 A I < - 0 0 19 -3,-1.4 2,-0.8 -4,-0.1 203,-0.1 -0.459 52.4-144.1 -73.4 126.6 -33.2 8.9 23.8 64 74 A Q - 0 0 153 -2,-0.3 -1,-0.1 205,-0.0 -2,-0.1 -0.787 20.7-155.0 -92.3 106.3 -34.6 6.3 26.1 65 75 A M - 0 0 43 -2,-0.8 2,-0.1 203,-0.1 3,-0.1 -0.689 5.3-138.4 -95.8 131.0 -31.6 4.2 27.2 66 76 A P - 0 0 10 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.324 29.0 -83.8 -82.4 163.1 -32.0 0.6 28.4 67 77 A Y + 0 0 123 -28,-0.1 2,-0.3 -2,-0.1 0, 0.0 -0.382 69.7 122.3 -53.6 138.4 -30.4 -1.3 31.2 68 78 A G - 0 0 12 1,-0.1 31,-0.2 -3,-0.1 -18,-0.2 -0.973 59.4-114.1-179.4-170.3 -27.0 -2.8 30.3 69 79 A D S S+ 0 0 28 -20,-2.5 30,-1.3 1,-0.3 31,-1.1 0.818 89.1 24.7-109.4 -45.3 -23.3 -2.9 31.1 70 80 A I E -hi 50 100B 0 -21,-2.0 -19,-3.0 29,-0.2 2,-0.4 -0.996 64.2-144.1-134.6 128.5 -21.3 -1.3 28.3 71 81 A L E -hi 51 101B 1 29,-2.5 31,-3.1 -2,-0.4 2,-0.5 -0.785 12.8-166.9 -89.8 132.1 -22.3 1.3 25.8 72 82 A L E -hi 52 102B 0 -21,-2.9 -19,-2.6 -2,-0.4 2,-0.5 -0.995 4.0-174.5-117.5 125.1 -20.8 1.1 22.3 73 83 A H E -hi 53 103B 0 29,-2.6 31,-2.0 -2,-0.5 -19,-0.2 -0.977 10.6-160.9-121.8 118.7 -21.3 4.2 20.0 74 84 A T - 0 0 0 -21,-1.9 163,-0.3 -2,-0.5 -20,-0.1 0.034 48.2 -85.1 -99.6 33.0 -20.1 3.8 16.5 75 85 A G S S+ 0 0 0 29,-0.3 -20,-3.0 31,-0.1 -19,-0.3 -0.207 90.0 92.8 105.0 175.7 -19.7 7.4 15.4 76 86 A D + 0 0 4 -21,-0.2 -19,-2.8 -22,-0.2 -20,-0.4 0.953 45.1 150.4 54.8 50.1 -21.5 10.5 14.0 77 87 A F + 0 0 0 -21,-0.2 -19,-0.5 -22,-0.2 2,-0.3 0.409 65.7 34.4 -85.7 2.9 -22.1 11.7 17.5 78 88 A T S S- 0 0 0 -21,-0.2 -21,-0.2 1,-0.1 30,-0.1 -0.848 76.0-127.3-139.7 176.8 -22.0 15.2 16.2 79 89 A E S S- 0 0 66 -2,-0.3 -1,-0.1 -22,-0.1 31,-0.0 0.784 104.4 -2.4 -94.5 -35.7 -23.0 17.1 13.1 80 90 A L S S- 0 0 34 2,-0.1 31,-0.4 29,-0.1 29,-0.1 0.304 96.3-105.5-137.1 3.6 -19.7 18.8 12.3 81 91 A G + 0 0 0 1,-0.2 28,-0.1 29,-0.2 5,-0.1 0.694 57.1 170.4 71.2 18.0 -17.4 17.8 15.2 82 92 A L >> - 0 0 40 1,-0.1 4,-2.0 2,-0.1 3,-0.9 -0.381 43.5-122.1 -59.9 138.3 -17.7 21.3 16.7 83 93 A P H 3> S+ 0 0 27 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.875 113.0 56.6 -50.6 -37.6 -16.1 21.2 20.2 84 94 A S H 3> S+ 0 0 79 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.872 106.2 49.8 -63.6 -33.5 -19.3 22.3 21.7 85 95 A E H <> S+ 0 0 26 -3,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.879 109.9 50.9 -71.2 -36.0 -21.1 19.3 20.2 86 96 A V H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.926 110.4 49.8 -65.3 -43.6 -18.4 17.0 21.6 87 97 A K H X S+ 0 0 117 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.928 110.3 49.9 -58.8 -45.7 -18.9 18.6 25.0 88 98 A K H X S+ 0 0 73 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.917 112.3 47.2 -60.6 -45.4 -22.7 18.1 24.9 89 99 A F H X S+ 0 0 4 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.920 112.1 50.2 -61.9 -43.4 -22.3 14.4 23.9 90 100 A N H X S+ 0 0 11 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.887 108.2 52.7 -63.6 -39.2 -19.8 13.9 26.6 91 101 A D H X S+ 0 0 74 -4,-2.5 4,-0.8 2,-0.2 -1,-0.2 0.925 109.9 49.6 -59.1 -44.2 -22.1 15.5 29.2 92 102 A W H >< S+ 0 0 35 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.929 109.3 51.4 -60.6 -46.1 -24.8 13.1 28.0 93 103 A L H >< S+ 0 0 0 -4,-2.5 3,-1.8 1,-0.2 -1,-0.2 0.879 102.7 60.1 -58.6 -40.0 -22.5 10.1 28.4 94 104 A G H 3< S+ 0 0 31 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.720 101.2 54.3 -65.6 -21.5 -21.6 11.1 31.9 95 105 A N T << S+ 0 0 143 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.370 87.8 96.6 -91.2 2.3 -25.2 10.8 33.0 96 106 A L S < S- 0 0 19 -3,-1.8 -25,-0.0 -4,-0.2 5,-0.0 -0.691 72.7-137.6 -93.1 144.5 -25.6 7.2 31.8 97 107 A P + 0 0 117 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.667 58.2 127.4 -79.5 -9.7 -25.1 4.5 34.3 98 108 A Y - 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