==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-FEB-96 1DPM . COMPND 2 MOLECULE: PHOSPHOTRIESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BREVUNDIMONAS DIMINUTA; . AUTHOR J.L.VANHOOKE,M.M.BENNING,F.M.RAUSHEL,H.M.HOLDEN . 658 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24001.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 474 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 2 0.3 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 . 2 0.3 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 . 30 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 225 34.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 4.3 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 6 0 0 5 4 1 2 3 1 4 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 10 2 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 0 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 0 2 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 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 35 A A 0 0 103 0, 0.0 11,-1.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -56.5 29.6 14.3 18.9 2 36 A R E -A 11 0A 160 9,-0.2 2,-0.4 10,-0.1 9,-0.2 -0.917 360.0-142.1-124.8 150.1 28.7 10.7 19.9 3 37 A I E -A 10 0A 4 7,-3.5 7,-2.4 -2,-0.3 2,-0.5 -0.913 23.1-119.3-112.6 137.2 30.7 7.8 21.1 4 38 A N E +A 9 0A 44 -2,-0.4 88,-0.3 5,-0.2 2,-0.2 -0.684 36.7 172.7 -81.0 122.6 30.2 4.2 20.0 5 39 A T E > -A 8 0A 5 3,-2.1 3,-1.4 -2,-0.5 125,-0.4 -0.720 49.0-102.7-119.9 169.9 29.3 1.7 22.8 6 40 A V T 3 S+ 0 0 4 84,-2.7 85,-0.1 1,-0.3 -2,-0.1 0.488 126.1 46.5 -71.7 -0.4 28.2 -1.9 22.7 7 41 A R T 3 S- 0 0 65 1,-0.6 -1,-0.3 83,-0.3 84,-0.1 0.313 128.8 -87.6-114.2 -0.0 24.7 -0.7 23.3 8 42 A G E < -A 5 0A 22 -3,-1.4 -3,-2.1 122,-0.1 -1,-0.6 -0.786 66.9 -28.1 126.5-169.6 24.9 2.0 20.7 9 43 A P E -A 4 0A 61 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.587 51.5-172.9 -86.0 144.5 26.1 5.6 20.6 10 44 A I E -A 3 0A 10 -7,-2.4 -7,-3.5 -2,-0.3 2,-0.2 -0.897 27.7-104.5-130.2 158.7 26.0 7.9 23.5 11 45 A T E >> -A 2 0A 54 -2,-0.3 3,-0.7 -9,-0.2 4,-0.7 -0.469 34.2-110.6 -81.1 156.0 26.6 11.6 23.8 12 46 A I G >4 S+ 0 0 44 -11,-1.2 3,-1.2 1,-0.2 4,-0.5 0.863 117.6 56.6 -53.3 -40.3 29.8 12.7 25.3 13 47 A S G >4 S+ 0 0 98 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.849 99.6 61.5 -61.7 -33.8 27.9 14.0 28.4 14 48 A E G <4 S+ 0 0 75 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.695 87.2 72.8 -68.0 -22.8 26.5 10.7 29.0 15 49 A A G << + 0 0 5 -3,-1.2 47,-0.3 -4,-0.7 -1,-0.2 0.856 68.5 162.5 -65.4 -31.6 29.9 9.0 29.5 16 50 A G < + 0 0 14 -3,-0.8 2,-0.2 -4,-0.5 305,-0.1 -0.069 59.1 15.3 49.1-148.6 30.6 10.6 33.0 17 51 A F S S- 0 0 29 43,-0.5 45,-2.1 303,-0.1 46,-2.1 -0.324 84.1-163.7 -55.4 118.5 33.3 8.9 35.1 18 52 A T E -b 63 0B 3 298,-2.7 2,-0.6 -2,-0.2 246,-0.2 -0.958 23.5-152.9-122.1 131.8 35.2 6.7 32.6 19 53 A L E -b 64 0B 0 44,-2.7 46,-2.9 -2,-0.4 3,-0.2 -0.863 18.1-166.1 -92.3 105.6 37.7 3.8 33.2 20 54 A T E + 0 0 10 244,-0.9 2,-0.3 -2,-0.6 245,-0.1 0.586 68.8 35.2 -77.5 -13.0 40.0 3.9 30.0 21 55 A H E S+ 0 0 2 243,-0.2 246,-2.1 45,-0.1 245,-0.5 -0.806 79.4 117.6-145.3 98.6 41.8 0.6 30.1 22 56 A E E -b 66 0B 0 43,-1.9 45,-2.0 -2,-0.3 2,-0.3 -0.886 40.0-143.9-148.4-179.9 40.0 -2.4 31.4 23 57 A H - 0 0 14 245,-1.6 247,-0.2 -2,-0.3 3,-0.2 -0.986 16.4-153.9-151.7 142.1 38.8 -5.8 30.2 24 58 A I S S+ 0 0 0 1,-0.3 246,-2.4 -2,-0.3 247,-0.5 0.908 93.5 3.4 -79.4 -39.8 35.8 -8.0 30.9 25 59 A C - 0 0 13 244,-0.2 2,-0.8 245,-0.2 -1,-0.3 -0.981 60.0-146.7-151.3 136.3 38.0 -11.0 30.0 26 60 A G B +d 272 0C 5 245,-2.6 247,-2.9 -2,-0.3 248,-1.4 -0.864 55.6 110.7-100.3 101.1 41.7 -11.7 29.1 27 61 A S - 0 0 2 45,-2.1 2,-0.3 -2,-0.8 46,-0.2 -0.283 60.1 -82.1-141.2-136.0 41.7 -14.6 26.8 28 62 A S >> - 0 0 0 45,-0.2 3,-1.7 -2,-0.1 4,-0.6 -0.974 54.2 -72.5-147.5 155.2 42.3 -15.7 23.1 29 63 A A T 34 S- 0 0 12 42,-0.3 331,-0.1 -2,-0.3 330,-0.1 -0.293 117.0 -2.8 -54.6 127.2 40.4 -15.7 19.8 30 64 A G T 3> S+ 0 0 29 44,-0.2 4,-2.5 330,-0.1 -1,-0.3 0.229 101.5 111.5 76.8 -12.7 37.6 -18.4 19.9 31 65 A F H <> S+ 0 0 0 -3,-1.7 4,-3.9 1,-0.2 -2,-0.1 0.927 73.0 51.9 -58.5 -49.3 38.7 -19.7 23.4 32 66 A L H < S+ 0 0 9 -4,-0.6 -1,-0.2 1,-0.2 7,-0.1 0.918 115.8 43.0 -56.4 -41.9 35.6 -18.5 25.3 33 67 A R H 4 S+ 0 0 92 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.853 119.6 42.5 -74.1 -34.2 33.4 -20.2 22.7 34 68 A A H < S+ 0 0 0 -4,-2.5 421,-0.3 1,-0.2 -2,-0.2 0.874 131.2 16.5 -80.7 -40.2 35.5 -23.3 22.6 35 69 A W >< + 0 0 21 -4,-3.9 3,-2.2 -5,-0.2 4,-0.3 -0.391 63.8 155.0-133.4 59.9 36.3 -23.9 26.2 36 70 A P G > S+ 0 0 20 0, 0.0 3,-2.0 0, 0.0 9,-0.1 0.788 70.1 70.8 -56.9 -27.7 33.9 -21.8 28.4 37 71 A E G > S+ 0 0 76 1,-0.3 3,-1.8 2,-0.2 -5,-0.1 0.643 77.0 77.8 -65.6 -15.7 34.4 -24.3 31.3 38 72 A F G < S+ 0 0 45 -3,-2.2 -1,-0.3 1,-0.3 3,-0.1 0.771 100.6 41.6 -64.3 -19.1 37.8 -23.0 31.7 39 73 A F G < S- 0 0 32 -3,-2.0 2,-1.9 -4,-0.3 -1,-0.3 0.048 126.0-103.2-110.8 20.6 36.1 -20.1 33.5 40 74 A G S < S- 0 0 55 -3,-1.8 2,-0.3 4,-0.1 3,-0.1 -0.473 89.4 -23.4 89.0 -61.6 33.7 -22.4 35.2 41 75 A S > - 0 0 46 -2,-1.9 4,-2.2 1,-0.1 5,-0.2 -0.952 59.6-109.2-170.0 158.6 31.0 -21.4 32.8 42 76 A R H > S+ 0 0 65 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.877 122.1 49.8 -61.6 -38.9 30.1 -18.6 30.5 43 77 A K H > S+ 0 0 147 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.869 108.9 50.8 -65.7 -38.6 27.3 -17.7 32.9 44 78 A A H > S+ 0 0 39 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.939 112.0 46.8 -66.6 -43.0 29.6 -17.8 35.8 45 79 A L H X S+ 0 0 6 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.926 112.6 50.2 -64.2 -44.4 32.0 -15.4 34.1 46 80 A A H X S+ 0 0 5 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.912 111.2 48.5 -60.4 -42.1 29.1 -13.2 33.1 47 81 A E H X S+ 0 0 85 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.926 109.8 51.8 -64.8 -41.0 27.7 -13.1 36.7 48 82 A K H X S+ 0 0 55 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.909 110.8 49.3 -58.9 -43.0 31.1 -12.3 38.1 49 83 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.869 109.5 49.7 -65.4 -40.0 31.4 -9.5 35.6 50 84 A V H X S+ 0 0 28 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.946 112.2 48.2 -68.9 -47.9 28.0 -7.9 36.3 51 85 A R H X S+ 0 0 143 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.971 112.4 48.9 -55.1 -51.3 28.6 -8.0 40.0 52 86 A G H X S+ 0 0 19 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.877 114.5 44.9 -54.6 -43.7 32.0 -6.4 39.6 53 87 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.811 109.0 55.9 -70.7 -35.8 30.6 -3.7 37.3 54 88 A R H X S+ 0 0 146 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.916 107.8 50.9 -62.0 -41.1 27.6 -3.0 39.6 55 89 A R H X S+ 0 0 152 -4,-2.4 4,-1.5 -5,-0.3 -2,-0.2 0.880 111.4 46.0 -65.8 -37.9 30.1 -2.4 42.4 56 90 A A H <>S+ 0 0 2 -4,-1.3 5,-2.5 -5,-0.2 4,-0.3 0.894 110.8 53.1 -70.6 -36.5 32.1 0.0 40.3 57 91 A R H ><5S+ 0 0 110 -4,-2.3 3,-2.3 3,-0.2 -2,-0.2 0.944 104.1 56.1 -61.2 -45.4 28.9 1.7 39.2 58 92 A A H 3<5S+ 0 0 86 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.879 105.7 53.0 -56.2 -34.3 28.0 2.1 42.9 59 93 A A T 3<5S- 0 0 33 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.469 133.8 -88.7 -81.8 -0.3 31.3 3.9 43.3 60 94 A G T < 5S+ 0 0 37 -3,-2.3 -43,-0.5 1,-0.3 2,-0.3 0.357 78.1 142.2 116.2 -12.1 30.5 6.4 40.5 61 95 A V < + 0 0 2 -5,-2.5 -1,-0.3 1,-0.2 -43,-0.2 -0.491 14.8 168.9 -67.3 120.9 31.9 4.6 37.3 62 96 A R + 0 0 124 -45,-2.1 27,-2.6 -2,-0.3 2,-0.4 0.736 62.3 23.9-104.6 -30.4 29.5 5.2 34.4 63 97 A T E -bc 18 89B 1 -46,-2.1 -44,-2.7 25,-0.2 2,-0.4 -0.993 55.9-168.5-140.8 143.8 31.6 3.9 31.5 64 98 A I E -bc 19 90B 0 25,-2.9 27,-2.6 -2,-0.4 2,-0.7 -0.959 17.5-140.7-126.9 148.1 34.5 1.5 30.9 65 99 A V E - c 0 91B 0 -46,-2.9 -43,-1.9 -2,-0.4 2,-1.0 -0.896 14.1-155.8-104.5 109.6 36.6 1.0 27.8 66 100 A D E -b 22 0B 1 25,-2.6 27,-0.3 -2,-0.7 -43,-0.2 -0.768 5.9-168.2 -89.8 108.5 37.3 -2.6 27.3 67 101 A V + 0 0 0 -45,-2.0 2,-0.5 -2,-1.0 -1,-0.1 -0.041 36.0 137.7 -86.3 33.0 40.5 -2.7 25.2 68 102 A S - 0 0 2 -2,-0.1 25,-0.6 -46,-0.1 2,-0.1 -0.710 37.4-160.0 -81.9 121.9 40.3 -6.4 24.3 69 103 A T > > - 0 0 0 -2,-0.5 3,-1.8 23,-0.1 5,-1.7 -0.382 38.7 -86.4 -94.6 179.6 41.2 -6.9 20.7 70 104 A F G > 5S+ 0 0 9 25,-0.7 3,-1.6 1,-0.3 26,-0.1 0.911 130.5 50.7 -49.5 -47.2 40.4 -9.8 18.5 71 105 A D G 3 5S+ 0 0 3 24,-0.3 -42,-0.3 1,-0.3 -1,-0.3 0.554 101.5 61.6 -71.6 -8.0 43.6 -11.6 19.7 72 106 A I G < 5S- 0 0 8 -3,-1.8 -45,-2.1 -44,-0.2 -1,-0.3 0.437 120.3-110.0 -93.9 -5.3 42.5 -11.0 23.3 73 107 A G T < 5 - 0 0 11 -3,-1.6 -45,-0.2 -4,-0.5 -3,-0.2 0.745 46.4-170.9 81.3 23.4 39.5 -13.1 22.6 74 108 A R < - 0 0 15 -5,-1.7 2,-0.5 -47,-0.1 -44,-0.2 -0.217 6.3-163.5 -45.5 130.4 37.1 -10.1 22.8 75 109 A D >> - 0 0 13 1,-0.1 4,-1.9 -50,-0.1 3,-1.0 -0.890 5.2-170.4-124.7 93.0 33.4 -11.4 22.7 76 110 A V H 3> S+ 0 0 0 -2,-0.5 4,-3.6 1,-0.3 5,-0.2 0.846 84.9 57.5 -55.8 -38.7 31.2 -8.5 21.9 77 111 A S H 3> S+ 0 0 45 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.890 108.3 49.8 -62.4 -31.3 28.0 -10.4 22.6 78 112 A L H <> S+ 0 0 3 -3,-1.0 4,-2.3 2,-0.2 5,-0.3 0.935 111.0 47.8 -70.1 -43.9 29.4 -11.0 26.1 79 113 A L H X S+ 0 0 4 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.911 111.1 52.2 -60.6 -45.1 30.3 -7.3 26.5 80 114 A A H X S+ 0 0 16 -4,-3.6 4,-1.7 1,-0.2 -1,-0.2 0.927 109.3 49.6 -59.1 -44.9 26.8 -6.4 25.3 81 115 A E H X S+ 0 0 107 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.921 114.5 40.9 -63.8 -48.4 25.1 -8.7 27.8 82 116 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 6,-0.3 0.862 111.4 58.9 -72.0 -28.4 26.9 -7.6 30.9 83 117 A S H X>S+ 0 0 0 -4,-2.2 5,-1.6 -5,-0.3 4,-0.8 0.925 110.0 42.6 -61.8 -41.8 26.7 -4.0 29.8 84 118 A R H <5S+ 0 0 165 -4,-1.7 -2,-0.2 3,-0.2 -1,-0.2 0.897 117.1 47.3 -65.4 -46.2 22.9 -4.2 29.7 85 119 A A H <5S+ 0 0 60 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.838 118.6 37.5 -69.3 -41.0 22.7 -6.1 33.0 86 120 A A H <5S- 0 0 2 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.534 102.1-129.2 -90.1 -10.7 25.1 -3.9 35.0 87 121 A D T <5 + 0 0 82 -4,-0.8 2,-0.4 -5,-0.2 -3,-0.2 0.909 62.5 132.5 60.4 46.3 23.9 -0.7 33.4 88 122 A V < - 0 0 2 -5,-1.6 -1,-0.2 -6,-0.3 -25,-0.2 -0.989 59.6-116.7-126.4 138.4 27.3 0.5 32.6 89 123 A H E -c 63 0B 22 -27,-2.6 -25,-2.9 -2,-0.4 2,-0.5 -0.453 29.9-162.1 -72.6 141.2 28.5 1.8 29.2 90 124 A I E -c 64 0B 0 -27,-0.2 -84,-2.7 -2,-0.2 2,-0.5 -0.982 8.3-155.0-129.4 124.9 31.1 -0.3 27.5 91 125 A V E -c 65 0B 1 -27,-2.6 -25,-2.6 -2,-0.5 -86,-0.2 -0.882 17.5-147.5 -97.9 123.3 33.3 0.9 24.7 92 126 A A - 0 0 0 -2,-0.5 40,-2.6 38,-0.4 41,-0.9 -0.487 11.7-140.7 -88.5 158.3 34.7 -1.9 22.4 93 127 A A E -e 133 0D 0 -25,-0.6 2,-0.2 -27,-0.3 41,-0.2 -0.857 13.6-164.5-125.1 160.6 38.0 -2.0 20.7 94 128 A T E +e 134 0D 0 39,-2.4 41,-3.6 -2,-0.3 2,-0.3 -0.656 48.4 76.1-123.7-179.5 39.6 -2.9 17.5 95 129 A G E S-e 135 0D 0 39,-0.2 -25,-0.7 -2,-0.2 2,-0.3 -0.716 74.2 -80.1 112.5-162.0 43.3 -3.4 16.8 96 130 A L - 0 0 1 39,-1.7 41,-0.4 -2,-0.3 2,-0.1 -0.995 26.5-160.3-147.3 150.0 45.7 -6.1 17.7 97 131 A W - 0 0 39 -2,-0.3 40,-0.3 39,-0.2 -27,-0.0 0.103 50.5 -72.8-103.3-146.9 47.6 -7.2 20.7 98 132 A F S S+ 0 0 66 1,-0.2 48,-0.0 38,-0.1 38,-0.0 0.179 114.2 64.5-109.6 24.9 50.6 -9.4 20.8 99 133 A D + 0 0 16 332,-0.0 -1,-0.2 2,-0.0 333,-0.1 -0.249 63.9 159.2-132.0 44.8 49.2 -12.9 20.2 100 134 A P - 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