==== 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 3RL5 . COMPND 2 MOLECULE: METALLOPHOSPHOESTERASE MPPED2; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR M.PODOBNIK,U.DERMOL . 279 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12500.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 8.6 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 . 22 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 16.1 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 0 2 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 . 3 1 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 . 1 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, 0.0 229,-0.0 0.000 360.0 360.0 360.0 127.6 -4.5 -15.6 6.9 2 12 A T - 0 0 125 228,-0.0 2,-0.4 229,-0.0 188,-0.0 -0.935 360.0-152.3-108.1 120.0 -3.5 -12.8 4.5 3 13 A I - 0 0 10 -2,-0.6 2,-0.3 183,-0.1 220,-0.0 -0.743 15.3-173.1 -87.8 135.3 -6.3 -10.6 3.1 4 14 A T - 0 0 100 -2,-0.4 2,-0.1 1,-0.0 222,-0.1 -0.834 40.3 -75.3-122.3 164.1 -5.6 -9.0 -0.3 5 15 A V - 0 0 52 -2,-0.3 2,-0.1 1,-0.1 178,-0.0 -0.386 55.6-119.3 -60.5 131.1 -7.6 -6.5 -2.2 6 16 A D > - 0 0 16 1,-0.1 3,-2.1 -2,-0.1 4,-0.3 -0.405 9.7-125.2 -71.2 145.2 -10.6 -8.2 -3.8 7 17 A E T 3 S+ 0 0 188 1,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.795 116.9 44.5 -59.3 -24.2 -11.0 -8.2 -7.6 8 18 A Y T > S+ 0 0 85 1,-0.2 3,-2.0 2,-0.1 7,-0.4 0.214 78.6 119.2-103.3 17.5 -14.5 -6.7 -6.9 9 19 A S T < S+ 0 0 3 -3,-2.1 213,-0.4 1,-0.3 173,-0.2 0.841 75.5 45.9 -48.9 -45.4 -13.3 -4.2 -4.3 10 20 A S T 3 S+ 0 0 84 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.540 112.0 53.2 -79.9 -5.7 -14.4 -1.1 -6.3 11 21 A N <> + 0 0 86 -3,-2.0 4,-2.6 1,-0.1 3,-0.3 -0.654 60.2 174.4-133.3 72.8 -17.8 -2.5 -7.2 12 22 A P H > S+ 0 0 11 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.840 79.8 53.5 -56.6 -36.7 -19.6 -3.7 -4.0 13 23 A T H > S+ 0 0 34 205,-0.4 4,-2.1 1,-0.2 5,-0.2 0.948 113.8 43.3 -63.9 -41.5 -22.9 -4.5 -5.7 14 24 A Q H > S+ 0 0 99 -3,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.852 110.7 56.0 -70.6 -32.9 -21.1 -6.7 -8.2 15 25 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 -7,-0.4 5,-0.3 0.914 107.0 50.6 -60.0 -44.0 -19.0 -8.2 -5.4 16 26 A F H X S+ 0 0 32 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.963 113.7 43.0 -60.6 -50.9 -22.2 -9.2 -3.6 17 27 A T H X S+ 0 0 77 -4,-2.1 4,-3.0 1,-0.2 5,-0.3 0.904 112.6 53.9 -64.5 -40.8 -23.7 -10.9 -6.7 18 28 A H H X S+ 0 0 50 -4,-2.8 4,-2.4 1,-0.2 5,-0.3 0.953 114.1 40.3 -55.6 -53.1 -20.3 -12.6 -7.6 19 29 A Y H X S+ 0 0 17 -4,-2.5 4,-2.0 2,-0.2 6,-1.7 0.830 115.8 51.1 -70.6 -31.0 -20.0 -14.1 -4.1 20 30 A N H X S+ 0 0 30 -4,-2.5 4,-1.5 4,-0.3 -2,-0.2 0.945 113.0 45.1 -69.6 -44.6 -23.6 -15.0 -3.9 21 31 A I H < S+ 0 0 124 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.916 125.0 31.1 -62.1 -45.7 -23.6 -16.7 -7.3 22 32 A N H < S+ 0 0 108 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.840 138.7 14.8 -86.2 -33.3 -20.4 -18.7 -6.7 23 33 A Q H < S- 0 0 114 -4,-2.0 -3,-0.2 -5,-0.3 -2,-0.2 0.345 87.0-124.8-125.0 -1.7 -20.4 -19.3 -3.0 24 34 A S >< + 0 0 68 -4,-1.5 3,-1.7 -5,-0.3 -4,-0.3 0.862 51.3 163.6 52.6 38.5 -23.9 -18.5 -1.8 25 35 A R T 3 S+ 0 0 23 -6,-1.7 -5,-0.2 1,-0.3 -1,-0.1 0.721 70.5 32.7 -65.2 -25.1 -22.1 -16.2 0.6 26 36 A F T 3 S+ 0 0 17 -10,-0.2 -1,-0.3 -9,-0.1 -6,-0.1 0.096 100.1 109.0-116.8 20.1 -25.2 -14.2 1.5 27 37 A Q <> - 0 0 84 -3,-1.7 4,-1.8 -4,-0.1 3,-0.3 -0.583 62.8 -72.9 -96.6 158.9 -27.8 -17.0 1.2 28 38 A P T 4 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.383 96.3 44.9 -67.6 162.3 -29.8 -18.9 3.8 29 39 A P T 4 S+ 0 0 97 0, 0.0 223,-0.1 0, 0.0 0, 0.0 -0.979 126.5 28.5 -85.1 -18.0 -29.6 -21.0 5.9 30 40 A H T 4 S+ 0 0 132 -3,-0.3 2,-0.6 221,-0.1 223,-0.1 0.824 116.1 59.3 -77.0 -32.2 -26.5 -19.5 7.5 31 41 A V S < S+ 0 0 15 -4,-1.8 2,-0.3 220,-0.2 220,-0.2 -0.891 74.8 126.2 -98.4 121.3 -27.0 -15.9 6.6 32 42 A H E -A 250 0A 93 218,-1.6 218,-2.3 -2,-0.6 220,-0.1 -0.980 59.3 -83.3-163.8 162.9 -30.3 -14.4 8.0 33 43 A M E -A 249 0A 87 -2,-0.3 2,-0.5 216,-0.2 216,-0.3 -0.413 35.3-146.6 -67.8 149.6 -31.9 -11.6 10.0 34 44 A V - 0 0 51 214,-2.5 214,-0.5 -2,-0.1 -1,-0.0 -0.989 17.3-126.5-123.6 123.3 -31.9 -12.0 13.8 35 45 A D - 0 0 137 -2,-0.5 2,-0.1 1,-0.1 212,-0.0 -0.394 27.2-111.2 -69.2 146.5 -34.9 -10.5 15.6 36 46 A P - 0 0 101 0, 0.0 -1,-0.1 0, 0.0 239,-0.1 -0.355 25.5-131.0 -71.2 156.5 -34.2 -8.1 18.5 37 47 A I - 0 0 65 237,-0.4 237,-0.4 -2,-0.1 2,-0.0 -0.880 25.2-109.1-106.9 144.2 -34.9 -9.0 22.1 38 48 A P > - 0 0 91 0, 0.0 3,-2.0 0, 0.0 -1,-0.0 -0.283 28.7-109.6 -70.9 161.8 -36.9 -6.8 24.5 39 49 A Y T 3 S+ 0 0 73 1,-0.3 28,-0.1 -2,-0.0 -2,-0.0 0.675 114.0 61.7 -68.9 -22.8 -35.2 -4.9 27.3 40 50 A D T 3 S+ 0 0 158 2,-0.1 -1,-0.3 26,-0.0 3,-0.0 0.369 72.9 124.5 -82.5 2.9 -36.8 -7.1 30.0 41 51 A T S < S- 0 0 40 -3,-2.0 2,-0.1 1,-0.1 -4,-0.0 -0.495 71.7-113.4 -61.5 124.6 -35.1 -10.3 28.6 42 52 A P - 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.377 28.6-117.2 -60.0 135.9 -33.2 -11.8 31.5 43 53 A K - 0 0 65 1,-0.1 3,-0.1 -2,-0.1 4,-0.1 -0.618 34.6-112.5 -73.8 124.7 -29.4 -11.7 30.9 44 54 A P > - 0 0 58 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 -0.237 42.1 -87.5 -55.4 149.9 -28.0 -15.3 30.6 45 55 A A T 3 S+ 0 0 97 1,-0.2 3,-0.1 233,-0.0 0, 0.0 -0.264 112.0 15.5 -56.5 139.8 -25.7 -16.4 33.4 46 56 A G T 3 S+ 0 0 51 1,-0.2 233,-3.0 -3,-0.1 2,-0.3 0.781 103.3 116.0 66.5 30.2 -22.1 -15.5 32.8 47 57 A H E < -G 278 0B 49 -3,-1.2 2,-0.4 231,-0.3 -1,-0.2 -0.844 56.6-137.0-124.1 163.3 -22.8 -13.0 30.0 48 58 A T E -G 277 0B 2 229,-2.6 229,-2.4 -2,-0.3 2,-0.6 -0.966 18.4-134.6-121.5 136.0 -22.4 -9.2 29.4 49 59 A R E -G 276 0B 0 -2,-0.4 20,-2.6 227,-0.2 21,-1.9 -0.842 16.7-159.7 -97.7 117.2 -25.1 -7.1 27.9 50 60 A F E -Gh 275 70B 0 225,-3.1 225,-2.2 -2,-0.6 2,-0.6 -0.813 5.4-151.9 -95.3 133.3 -23.9 -4.7 25.2 51 61 A V E -Gh 274 71B 0 19,-2.7 21,-3.0 -2,-0.4 2,-0.5 -0.940 17.2-158.1-107.1 119.1 -26.1 -1.7 24.3 52 62 A C E +Gh 273 72B 0 221,-3.2 221,-2.3 -2,-0.6 2,-0.3 -0.873 23.0 151.8-112.5 125.2 -25.5 -0.7 20.7 53 63 A I E + h 0 73B 0 19,-2.5 21,-1.9 -2,-0.5 2,-0.3 -0.920 9.7 170.4-141.7 163.7 -26.3 2.7 19.3 54 64 A S B +k 260 0C 0 205,-0.9 207,-3.2 -2,-0.3 208,-0.5 -0.974 55.0 31.3-165.6 157.3 -24.9 4.8 16.5 55 65 A D + 0 0 0 20,-3.0 207,-0.8 -2,-0.3 22,-0.2 0.900 57.2 153.3 58.2 45.1 -25.6 8.0 14.5 56 66 A T > - 0 0 0 19,-0.4 3,-2.7 205,-0.1 21,-0.2 0.718 33.3-159.8 -81.4 -21.2 -27.3 9.8 17.3 57 67 A R T 3 - 0 0 45 19,-2.8 21,-0.2 1,-0.3 20,-0.2 0.791 66.7 -53.6 53.2 41.6 -26.2 13.1 15.7 58 68 A S T 3 S+ 0 0 25 19,-0.6 3,-0.3 18,-0.1 -1,-0.3 0.561 113.0 117.4 69.4 12.6 -26.5 15.2 18.9 59 69 A R < + 0 0 97 -3,-2.7 -2,-0.1 1,-0.2 -1,-0.1 -0.265 26.4 123.4-103.8 45.9 -30.1 14.0 19.3 60 70 A T > + 0 0 2 17,-0.1 3,-2.0 -2,-0.1 2,-0.2 0.687 37.1 105.7 -81.0 -22.3 -29.6 12.2 22.7 61 71 A D T 3 S+ 0 0 122 -3,-0.3 3,-0.1 1,-0.3 31,-0.0 -0.434 93.0 12.5 -60.0 124.2 -32.3 14.1 24.7 62 72 A G T 3 S+ 0 0 75 1,-0.3 2,-0.5 -2,-0.2 -1,-0.3 0.445 83.6 141.7 88.9 -3.5 -35.2 11.8 25.1 63 73 A I < - 0 0 20 -3,-2.0 2,-0.9 1,-0.1 -1,-0.3 -0.642 50.1-136.2 -70.4 125.7 -33.5 8.5 24.0 64 74 A Q - 0 0 165 -2,-0.5 -1,-0.1 -3,-0.1 -3,-0.0 -0.759 23.2-155.6 -87.2 106.9 -34.9 5.8 26.3 65 75 A M - 0 0 43 -2,-0.9 3,-0.1 206,-0.1 2,-0.1 -0.679 5.8-136.2 -95.6 132.7 -31.8 3.8 27.2 66 76 A P - 0 0 9 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.315 29.2 -84.0 -82.3 163.8 -32.2 0.2 28.3 67 77 A Y S S+ 0 0 123 -28,-0.1 2,-0.3 -2,-0.1 0, 0.0 -0.389 70.2 124.6 -54.0 138.8 -30.6 -1.8 31.1 68 78 A G - 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0 0 37 1,-0.1 4,-2.0 2,-0.1 3,-0.9 -0.355 43.0-121.3 -61.8 140.6 -18.0 21.0 17.0 83 93 A P H 3> S+ 0 0 29 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.889 113.4 54.9 -50.3 -40.1 -16.4 21.0 20.5 84 94 A S H 3> S+ 0 0 81 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.865 107.1 50.6 -62.2 -34.2 -19.6 22.0 22.1 85 95 A E H <> S+ 0 0 25 -3,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.884 109.2 50.8 -68.3 -38.1 -21.4 19.0 20.5 86 96 A V H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.925 110.8 49.2 -65.8 -43.5 -18.7 16.7 21.8 87 97 A K H X S+ 0 0 120 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.931 110.2 50.4 -59.5 -46.1 -19.1 18.2 25.3 88 98 A K H X S+ 0 0 75 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.924 111.7 48.0 -58.9 -44.5 -22.9 17.7 25.2 89 99 A F H X S+ 0 0 3 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.925 111.0 50.9 -61.6 -43.7 -22.5 14.1 24.1 90 100 A N H X S+ 0 0 11 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.881 108.3 52.3 -61.7 -39.6 -19.9 13.5 26.9 91 101 A D H X S+ 0 0 73 -4,-2.5 4,-0.8 2,-0.2 -1,-0.2 0.906 108.9 50.4 -61.6 -43.2 -22.4 15.0 29.4 92 102 A W H >< S+ 0 0 35 -4,-2.1 3,-1.0 1,-0.2 4,-0.3 0.940 109.3 51.6 -59.5 -46.7 -25.1 12.6 28.2 93 103 A L H >< S+ 0 0 0 -4,-2.6 3,-1.9 1,-0.2 -2,-0.2 0.895 102.7 59.2 -56.9 -41.3 -22.7 9.7 28.5 94 104 A G H 3< S+ 0 0 35 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.729 102.3 54.2 -66.1 -20.7 -21.8 10.6 32.1 95 105 A N T << S+ 0 0 141 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.418 87.9 95.0 -90.4 -0.0 -25.4 10.3 33.2 96 106 A L S < S- 0 0 20 -3,-1.9 5,-0.0 -4,-0.3 -3,-0.0 -0.670 73.3-137.7 -91.5 143.6 -25.8 6.7 31.8 97 107 A P + 0 0 118 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.678 59.8 126.1 -77.6 -11.7 -25.3 3.9 34.4 98 108 A Y - 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