==== 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 3RL4 . COMPND 2 MOLECULE: METALLOPHOSPHOESTERASE MPPED2; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR M.PODOBNIK,U.DERMOL . 275 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12082.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 63.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 12.4 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 . 23 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 16.0 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 0 123 0, 0.0 2,-0.5 0, 0.0 226,-0.0 0.000 360.0 360.0 360.0 129.1 -4.5 -14.5 6.9 2 12 A T - 0 0 126 224,-0.0 2,-0.4 225,-0.0 184,-0.0 -0.949 360.0-151.5-109.6 120.7 -3.6 -11.7 4.5 3 13 A I - 0 0 10 -2,-0.5 2,-0.3 179,-0.1 216,-0.0 -0.725 15.5-172.8 -87.7 135.9 -6.4 -9.6 3.1 4 14 A T - 0 0 103 -2,-0.4 2,-0.1 1,-0.0 218,-0.1 -0.857 39.9 -75.2-122.7 163.9 -5.8 -8.0 -0.3 5 15 A V - 0 0 54 -2,-0.3 2,-0.1 1,-0.1 174,-0.0 -0.344 56.4-116.4 -60.6 132.0 -7.9 -5.5 -2.2 6 16 A D > - 0 0 13 1,-0.1 3,-1.9 -2,-0.1 4,-0.3 -0.401 9.9-125.0 -72.8 143.5 -11.0 -7.2 -3.7 7 17 A E T 3 S+ 0 0 171 1,-0.3 3,-0.3 2,-0.1 -1,-0.1 0.819 116.1 40.8 -49.4 -33.8 -11.5 -7.5 -7.4 8 18 A Y T > S+ 0 0 62 1,-0.2 3,-1.7 2,-0.1 7,-0.4 0.158 80.2 119.9-106.0 15.6 -14.9 -5.8 -6.8 9 19 A S T < S+ 0 0 3 -3,-1.9 209,-0.4 1,-0.3 -1,-0.2 0.837 74.0 48.1 -50.5 -44.0 -13.7 -3.2 -4.3 10 20 A S T 3 S+ 0 0 85 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.571 112.9 49.7 -79.5 -8.8 -14.6 -0.1 -6.3 11 21 A N <> + 0 0 89 -3,-1.7 4,-2.6 1,-0.1 3,-0.2 -0.676 61.8 175.7-134.8 74.9 -18.2 -1.4 -7.1 12 22 A P H > S+ 0 0 10 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.830 80.0 54.5 -56.4 -35.1 -19.9 -2.5 -3.9 13 23 A T H > S+ 0 0 36 201,-0.4 4,-2.2 1,-0.2 5,-0.2 0.952 112.7 44.0 -65.9 -43.3 -23.2 -3.3 -5.5 14 24 A Q H > S+ 0 0 109 -3,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.866 111.5 54.6 -64.2 -38.6 -21.5 -5.5 -8.1 15 25 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 -7,-0.4 5,-0.2 0.913 107.3 51.1 -58.1 -43.9 -19.4 -7.1 -5.2 16 26 A F H X S+ 0 0 34 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.958 112.9 43.9 -58.7 -52.2 -22.6 -7.9 -3.4 17 27 A T H X S+ 0 0 73 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.917 111.8 55.2 -62.0 -42.0 -24.2 -9.6 -6.4 18 28 A H H X S+ 0 0 40 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.923 110.5 42.9 -55.4 -52.2 -20.9 -11.4 -7.2 19 29 A Y H X S+ 0 0 18 -4,-2.4 6,-1.8 1,-0.2 4,-1.7 0.788 112.5 53.4 -73.6 -25.8 -20.6 -13.0 -3.8 20 30 A N H X S+ 0 0 24 -4,-1.9 4,-1.6 4,-0.3 -1,-0.2 0.938 111.3 46.6 -68.1 -45.4 -24.2 -13.9 -3.6 21 31 A I H < S+ 0 0 127 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.917 124.0 31.1 -59.7 -46.0 -24.0 -15.7 -7.0 22 32 A N H < S+ 0 0 110 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.737 139.6 10.8 -88.9 -26.3 -20.8 -17.6 -6.2 23 33 A Q H < S- 0 0 112 -4,-1.7 -3,-0.2 -5,-0.2 -2,-0.2 0.384 84.6-121.9-138.4 -1.4 -21.0 -18.2 -2.5 24 34 A S >< + 0 0 61 -4,-1.6 3,-1.6 -5,-0.3 -4,-0.3 0.883 53.2 164.9 55.4 37.4 -24.5 -17.3 -1.2 25 35 A R T 3 + 0 0 20 -6,-1.8 -5,-0.2 1,-0.3 -1,-0.1 0.760 67.4 32.1 -65.5 -28.4 -22.5 -14.9 1.0 26 36 A F T 3 S+ 0 0 18 -10,-0.2 -1,-0.3 2,-0.1 -6,-0.1 0.030 105.4 94.7-117.7 27.0 -25.4 -12.7 2.1 27 37 A Q <> - 0 0 89 -3,-1.6 4,-1.8 1,-0.1 3,-0.3 -0.723 64.8 -49.2-122.9 163.9 -28.2 -15.2 2.1 28 38 A P T 4 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.174 96.9 32.2 -63.4 163.9 -30.0 -17.6 4.4 29 39 A P T 4 S+ 0 0 103 0, 0.0 219,-0.1 0, 0.0 0, 0.0 -0.971 131.6 28.7 -81.2 -18.0 -29.9 -19.7 6.4 30 40 A H T 4 S+ 0 0 130 -3,-0.3 2,-0.6 1,-0.1 219,-0.1 0.839 116.4 57.2 -74.7 -38.4 -26.6 -18.3 7.9 31 41 A V S < S+ 0 0 11 -4,-1.8 2,-0.3 216,-0.2 216,-0.2 -0.864 75.0 129.0 -96.6 119.6 -27.1 -14.6 7.0 32 42 A H E -A 246 0A 94 214,-1.6 214,-2.1 -2,-0.6 216,-0.1 -0.987 58.1 -84.1-159.4 163.3 -30.3 -13.1 8.4 33 43 A M E -A 245 0A 87 -2,-0.3 2,-0.5 212,-0.2 212,-0.3 -0.388 34.8-144.6 -65.7 149.0 -31.8 -10.3 10.5 34 44 A V - 0 0 52 210,-2.5 210,-0.5 -2,-0.1 -1,-0.0 -0.986 17.5-129.0-119.7 123.6 -31.7 -10.6 14.3 35 45 A D - 0 0 136 -2,-0.5 2,-0.1 1,-0.1 208,-0.0 -0.423 26.7-110.7 -72.0 146.6 -34.7 -9.1 16.1 36 46 A P - 0 0 102 0, 0.0 -1,-0.1 0, 0.0 235,-0.1 -0.368 25.2-132.8 -72.6 157.6 -34.1 -6.6 18.9 37 47 A I - 0 0 68 233,-0.4 233,-0.4 -2,-0.1 2,-0.0 -0.867 25.7-106.1-109.5 146.8 -34.8 -7.6 22.5 38 48 A P > - 0 0 82 0, 0.0 3,-1.8 0, 0.0 -1,-0.0 -0.270 27.9-111.4 -71.2 161.5 -36.7 -5.3 24.9 39 49 A Y T 3 S+ 0 0 79 1,-0.3 28,-0.1 -2,-0.0 -2,-0.0 0.657 112.8 62.2 -70.1 -21.8 -34.9 -3.4 27.7 40 50 A D T 3 S+ 0 0 140 2,-0.1 -1,-0.3 26,-0.0 3,-0.0 0.339 72.3 124.8 -84.9 5.1 -36.5 -5.4 30.5 41 51 A T S < S- 0 0 39 -3,-1.8 2,-0.1 1,-0.1 -4,-0.0 -0.507 71.5-112.7 -61.2 124.6 -34.9 -8.6 29.2 42 52 A P - 0 0 115 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.384 24.6-133.8 -60.2 137.8 -32.9 -10.1 32.1 43 53 A K - 0 0 55 -2,-0.1 3,-0.1 4,-0.0 4,-0.1 -0.834 22.4-127.2 -91.0 124.1 -29.2 -10.0 31.6 44 54 A P > - 0 0 65 0, 0.0 3,-0.7 0, 0.0 -1,-0.0 -0.341 31.6 -94.2 -70.5 154.0 -27.6 -13.3 32.5 45 55 A A T 3 S+ 0 0 93 1,-0.2 3,-0.1 229,-0.0 0, 0.0 -0.227 108.0 31.5 -64.5 153.2 -24.6 -13.3 34.9 46 56 A G T 3 S+ 0 0 48 1,-0.3 229,-2.8 228,-0.1 2,-0.3 0.772 102.2 106.3 68.8 25.5 -21.1 -13.3 33.6 47 57 A H E < -G 274 0B 51 -3,-0.7 2,-0.5 227,-0.3 -1,-0.3 -0.926 62.7-137.3-130.3 157.7 -22.3 -11.2 30.6 48 58 A T E -G 273 0B 0 225,-2.6 225,-2.1 -2,-0.3 2,-0.7 -0.970 13.0-142.2-117.3 129.2 -21.9 -7.6 29.6 49 59 A R E -G 272 0B 0 -2,-0.5 20,-2.7 223,-0.2 21,-2.0 -0.848 17.1-157.7 -91.8 113.1 -24.9 -5.7 28.2 50 60 A F E -Gh 271 70B 0 221,-3.1 221,-2.1 -2,-0.7 2,-0.6 -0.776 5.0-152.1 -91.0 130.6 -23.7 -3.3 25.5 51 61 A V E -Gh 270 71B 0 19,-2.9 21,-3.0 -2,-0.4 2,-0.5 -0.944 18.1-157.7-104.6 114.6 -25.9 -0.3 24.6 52 62 A C E +Gh 269 72B 1 217,-3.0 217,-2.2 -2,-0.6 2,-0.3 -0.884 23.8 151.1-106.9 121.8 -25.3 0.6 21.0 53 63 A I E + h 0 73B 0 19,-2.6 21,-1.9 -2,-0.5 2,-0.3 -0.895 8.4 164.8-137.9 167.1 -26.0 4.0 19.5 54 64 A S B +k 256 0C 0 201,-0.8 203,-3.1 -2,-0.3 204,-0.5 -0.964 53.9 36.5-170.3 162.1 -24.5 6.1 16.7 55 65 A D + 0 0 0 20,-3.0 203,-1.1 -2,-0.3 22,-0.2 0.904 55.6 154.0 53.4 48.1 -25.3 9.1 14.5 56 66 A T > - 0 0 0 19,-0.3 3,-2.4 20,-0.2 21,-0.2 0.765 32.6-160.3 -78.4 -26.4 -26.9 11.1 17.3 57 67 A H T 3 - 0 0 1 19,-2.8 21,-0.2 1,-0.3 20,-0.2 0.812 66.3 -56.6 54.5 39.5 -25.9 14.3 15.5 58 68 A S T 3 S+ 0 0 27 19,-0.5 2,-0.4 18,-0.1 -1,-0.3 0.558 112.8 117.4 69.5 13.2 -26.2 16.5 18.6 59 69 A R < + 0 0 115 -3,-2.4 -1,-0.1 1,-0.2 -2,-0.1 -0.381 27.5 124.3-107.0 55.0 -29.8 15.4 19.0 60 70 A T > + 0 0 2 -2,-0.4 3,-1.9 17,-0.1 2,-0.3 0.649 33.6 105.7 -92.1 -20.5 -29.4 13.7 22.5 61 71 A D T 3 S+ 0 0 124 -3,-0.3 3,-0.1 1,-0.3 31,-0.0 -0.479 93.9 13.9 -61.7 122.0 -32.0 15.6 24.5 62 72 A G T 3 S+ 0 0 65 1,-0.3 2,-0.4 -2,-0.3 -1,-0.3 0.488 81.9 141.0 89.0 -0.4 -34.9 13.1 24.9 63 73 A I < - 0 0 20 -3,-1.9 2,-0.8 1,-0.0 -1,-0.3 -0.673 51.8-133.2 -69.7 128.8 -33.2 9.9 23.8 64 74 A Q - 0 0 153 -2,-0.4 -1,-0.0 -3,-0.1 -3,-0.0 -0.774 23.6-155.0 -90.6 108.4 -34.6 7.3 26.2 65 75 A M - 0 0 44 -2,-0.8 2,-0.1 202,-0.1 3,-0.1 -0.699 6.3-139.2 -96.4 130.1 -31.5 5.3 27.4 66 76 A P - 0 0 7 0, 0.0 -1,-0.1 0, 0.0 -26,-0.0 -0.342 28.6 -83.9 -82.9 164.5 -31.8 1.7 28.6 67 77 A Y S S+ 0 0 127 -28,-0.1 2,-0.3 -2,-0.1 0, 0.0 -0.368 70.2 126.1 -53.1 136.6 -30.3 -0.3 31.4 68 78 A G - 0 0 12 1,-0.1 31,-0.2 -3,-0.1 -18,-0.2 -0.972 58.3-118.6-177.2-174.6 -26.9 -1.7 30.4 69 79 A D S S+ 0 0 27 -20,-2.7 30,-1.4 1,-0.3 31,-1.2 0.818 88.7 24.3-107.7 -45.5 -23.2 -1.9 31.3 70 80 A I E -hi 50 100B 0 -21,-2.0 -19,-2.9 29,-0.2 2,-0.4 -0.995 64.6-143.9-134.2 128.8 -21.2 -0.3 28.5 71 81 A L E -hi 51 101B 0 29,-2.5 31,-3.0 -2,-0.4 2,-0.5 -0.772 12.2-167.0 -90.4 131.7 -22.2 2.3 26.0 72 82 A L E -hi 52 102B 0 -21,-3.0 -19,-2.6 -2,-0.4 2,-0.5 -0.993 4.2-175.1-116.4 123.6 -20.8 2.0 22.4 73 83 A H E -hi 53 103B 0 29,-2.7 31,-1.9 -2,-0.5 -19,-0.3 -0.981 10.8-160.4-121.2 118.4 -21.2 5.1 20.2 74 84 A T - 0 0 0 -21,-1.9 162,-0.3 -2,-0.5 -20,-0.1 0.030 47.9 -87.0 -99.7 31.7 -20.0 4.7 16.6 75 85 A G S S+ 0 0 0 29,-0.3 -20,-3.0 -22,-0.1 -19,-0.3 -0.213 89.6 94.8 106.5 177.7 -19.6 8.3 15.6 76 86 A D + 0 0 2 -21,-0.2 -19,-2.8 -22,-0.2 -20,-0.2 0.949 44.5 150.7 54.8 49.1 -21.4 11.3 14.1 77 87 A F + 0 0 0 -21,-0.2 -19,-0.5 -22,-0.2 2,-0.3 0.395 64.9 35.1 -84.7 1.5 -22.0 12.6 17.6 78 88 A T S S- 0 0 0 -21,-0.2 -21,-0.2 1,-0.1 30,-0.1 -0.851 75.2-128.4-137.1 178.9 -21.9 16.2 16.2 79 89 A E S S- 0 0 61 -2,-0.3 -1,-0.1 -22,-0.1 30,-0.0 0.767 104.3 -1.6 -96.0 -33.1 -22.9 18.0 13.1 80 90 A L S S- 0 0 42 2,-0.1 31,-0.4 29,-0.1 29,-0.1 0.312 96.6-106.2-138.9 -0.5 -19.6 19.8 12.3 81 91 A G + 0 0 0 1,-0.2 28,-0.1 29,-0.2 5,-0.1 0.691 56.5 170.7 74.1 17.2 -17.3 18.8 15.2 82 92 A L >> - 0 0 40 1,-0.1 4,-2.0 2,-0.1 3,-0.9 -0.378 43.2-122.5 -61.0 137.8 -17.6 22.2 16.7 83 93 A P H 3> S+ 0 0 25 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.870 113.1 56.4 -50.5 -38.0 -16.0 22.2 20.2 84 94 A S H 3> S+ 0 0 83 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.865 105.9 50.5 -62.2 -35.4 -19.3 23.3 21.8 85 95 A E H <> S+ 0 0 24 -3,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.884 109.6 50.6 -68.4 -37.7 -21.0 20.3 20.2 86 96 A V H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.926 110.5 49.8 -64.8 -43.4 -18.3 18.0 21.6 87 97 A K H X S+ 0 0 118 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.924 110.2 49.7 -60.0 -45.2 -18.8 19.6 25.1 88 98 A K H X S+ 0 0 75 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.918 112.2 47.9 -61.1 -45.6 -22.6 19.1 24.9 89 99 A F H X S+ 0 0 4 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.924 111.6 50.0 -61.2 -44.6 -22.2 15.5 23.9 90 100 A N H X S+ 0 0 11 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.872 107.9 53.5 -62.2 -37.7 -19.7 14.9 26.7 91 101 A D H X S+ 0 0 75 -4,-2.4 4,-0.7 2,-0.2 -1,-0.2 0.918 109.4 49.4 -60.0 -44.4 -22.1 16.6 29.2 92 102 A W H >< S+ 0 0 34 -4,-2.2 3,-1.1 1,-0.2 4,-0.3 0.930 109.1 51.6 -60.8 -45.3 -24.8 14.1 28.0 93 103 A L H >< S+ 0 0 0 -4,-2.5 3,-1.8 1,-0.2 -1,-0.2 0.880 102.0 61.2 -59.9 -39.0 -22.5 11.1 28.4 94 104 A G H 3< S+ 0 0 33 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.733 101.4 53.4 -62.0 -22.7 -21.6 12.2 32.0 95 105 A N T << S+ 0 0 143 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.407 87.5 98.0 -94.6 1.4 -25.2 11.8 33.1 96 106 A L S < S- 0 0 18 -3,-1.8 -25,-0.0 -4,-0.3 5,-0.0 -0.675 71.7-138.0 -90.4 143.3 -25.5 8.3 31.8 97 107 A P + 0 0 115 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.679 58.1 126.0 -78.2 -12.5 -25.1 5.5 34.4 98 108 A Y - 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