==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-JAN-01 1I0B . COMPND 2 MOLECULE: PHOSPHOTRIESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BREVUNDIMONAS DIMINUTA; . AUTHOR H.M.HOLDEN,M.M.BENNING,F.M.RAUSHEL,H.SHIM . 662 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23897.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 478 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.8 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 . 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 . 33 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 224 33.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 4.4 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 6 0 0 6 4 1 2 3 0 4 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 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 . 1 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 . 4 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 D 0 0 140 0, 0.0 11,-1.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -1.9 29.1 14.3 19.1 2 36 A R E -A 11 0A 148 9,-0.2 2,-0.4 324,-0.1 9,-0.2 -0.993 360.0-153.1-139.2 146.5 28.7 10.5 19.8 3 37 A I E -A 10 0A 2 7,-2.9 7,-2.5 -2,-0.4 2,-0.4 -0.946 26.4-123.5-114.9 132.1 30.7 7.6 21.1 4 38 A N E +A 9 0A 49 -2,-0.4 2,-0.3 5,-0.2 88,-0.2 -0.618 35.1 172.3 -80.7 131.4 30.0 4.0 20.0 5 39 A T E > -A 8 0A 4 3,-1.5 3,-2.0 -2,-0.4 125,-0.3 -0.794 50.8 -96.4-128.0 169.5 29.2 1.5 22.7 6 40 A V T 3 S+ 0 0 5 84,-2.8 85,-0.1 1,-0.3 78,-0.1 0.601 128.1 47.1 -66.5 -8.1 28.0 -2.1 22.7 7 41 A R T 3 S- 0 0 69 1,-0.5 -1,-0.3 83,-0.2 84,-0.1 0.268 127.7 -87.8-109.5 2.4 24.5 -0.7 23.2 8 42 A G E < S-A 5 0A 24 -3,-2.0 -3,-1.5 122,-0.1 -1,-0.5 -0.692 70.3 -24.7 120.7-172.4 24.8 1.9 20.5 9 43 A P E -A 4 0A 77 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.435 55.1-166.1 -75.6 147.8 26.0 5.5 20.3 10 44 A I E -A 3 0A 12 -7,-2.5 -7,-2.9 -2,-0.1 2,-0.2 -0.910 26.4-104.2-128.3 158.8 26.0 7.6 23.4 11 45 A T E >> -A 2 0A 54 -2,-0.3 3,-1.7 -9,-0.2 4,-0.8 -0.496 35.0-110.4 -78.0 151.6 26.4 11.4 23.8 12 46 A I G >4 S+ 0 0 45 -11,-1.0 3,-0.7 1,-0.3 4,-0.5 0.848 118.8 56.5 -50.1 -32.3 29.7 12.6 25.0 13 47 A S G 34 S+ 0 0 108 1,-0.2 3,-0.3 2,-0.2 -1,-0.3 0.738 97.5 61.3 -72.4 -24.3 27.9 13.7 28.2 14 48 A E G <4 S+ 0 0 92 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.661 86.1 74.8 -77.1 -18.0 26.6 10.3 29.0 15 49 A A << + 0 0 2 -4,-0.8 47,-0.2 -3,-0.7 -1,-0.2 0.928 69.6 159.3 -62.0 -41.0 30.0 8.7 29.3 16 50 A G + 0 0 20 -4,-0.5 2,-0.2 -3,-0.3 305,-0.1 -0.134 57.5 12.5 56.1-150.4 30.6 10.3 32.7 17 51 A F S S- 0 0 37 43,-0.4 45,-2.5 303,-0.1 46,-1.9 -0.397 85.3-169.6 -57.3 115.2 33.3 8.7 35.0 18 52 A T E -b 63 0B 3 298,-2.6 2,-0.6 -2,-0.2 246,-0.2 -0.960 29.3-149.5-124.9 141.2 35.2 6.3 32.6 19 53 A L E -b 64 0B 1 44,-2.0 46,-2.6 -2,-0.4 246,-0.2 -0.922 18.6-166.1 -99.5 111.4 37.7 3.6 33.0 20 54 A T E S+ 0 0 7 244,-0.8 2,-0.2 -2,-0.6 245,-0.1 0.416 70.8 42.2 -86.6 1.5 39.8 3.7 29.8 21 55 A H E S+ 0 0 2 243,-0.2 246,-2.0 45,-0.1 245,-0.4 -0.728 79.0 116.7-147.8 95.6 41.7 0.4 29.9 22 56 A E E -b 66 0B 0 43,-2.0 45,-2.0 -2,-0.2 2,-0.3 -0.864 40.0-146.1-147.1 178.0 39.7 -2.7 31.1 23 57 A H - 0 0 12 245,-1.2 3,-0.2 -2,-0.3 247,-0.1 -0.990 16.9-153.5-151.2 147.7 38.5 -6.2 29.9 24 58 A I S S+ 0 0 0 1,-0.4 246,-2.5 -2,-0.3 247,-0.5 0.868 94.8 1.6 -83.8 -44.3 35.5 -8.3 30.5 25 59 A C E -d 271 0C 13 244,-0.2 2,-0.7 245,-0.2 -1,-0.4 -0.994 61.0-147.3-146.6 137.0 37.6 -11.3 29.7 26 60 A G E +d 272 0C 4 245,-2.6 247,-3.0 -2,-0.4 248,-1.1 -0.920 55.1 112.9-103.3 104.7 41.3 -11.8 28.7 27 61 A S - 0 0 2 45,-2.5 2,-0.3 -2,-0.7 46,-0.2 -0.393 60.2 -81.7-143.7-141.6 41.4 -14.8 26.4 28 62 A S >> - 0 0 1 45,-0.2 3,-2.2 -2,-0.1 4,-0.6 -0.954 56.1 -70.6-140.6 157.0 42.1 -15.8 22.7 29 63 A A T 34 S- 0 0 11 42,-0.3 334,-0.1 -2,-0.3 333,-0.1 -0.272 118.4 -4.1 -53.3 130.3 40.1 -15.7 19.5 30 64 A G T 3> S+ 0 0 29 44,-0.2 4,-1.8 40,-0.1 -1,-0.3 0.291 101.2 115.0 68.7 -4.1 37.3 -18.3 19.7 31 65 A F H <> S+ 0 0 0 -3,-2.2 4,-2.7 1,-0.2 -2,-0.1 0.925 70.2 51.6 -62.1 -47.6 38.5 -19.6 23.0 32 66 A L H < S+ 0 0 8 -4,-0.6 -1,-0.2 1,-0.2 7,-0.1 0.888 114.5 44.1 -60.8 -34.0 35.4 -18.7 25.1 33 67 A R H 4 S+ 0 0 99 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.802 116.3 46.0 -82.6 -25.5 33.1 -20.3 22.7 34 68 A A H < S+ 0 0 0 -4,-1.8 424,-0.4 1,-0.2 -2,-0.2 0.830 131.6 15.3 -84.7 -29.2 35.2 -23.5 22.3 35 69 A W >< + 0 0 20 -4,-2.7 3,-2.0 -5,-0.2 4,-0.3 -0.399 63.8 157.1-143.0 62.5 35.9 -24.0 25.9 36 70 A P G > S+ 0 0 20 0, 0.0 3,-2.2 0, 0.0 9,-0.1 0.806 71.1 72.1 -56.0 -31.1 33.6 -22.0 28.1 37 71 A E G > S+ 0 0 96 1,-0.3 3,-2.0 2,-0.2 -5,-0.1 0.692 77.0 77.5 -61.7 -18.6 34.2 -24.5 31.0 38 72 A F G < S+ 0 0 47 -3,-2.0 -1,-0.3 1,-0.3 -6,-0.1 0.835 103.4 38.1 -61.0 -25.3 37.6 -23.1 31.4 39 73 A F G < S- 0 0 32 -3,-2.2 2,-1.3 -4,-0.3 -1,-0.3 0.163 126.4-101.9-109.7 18.1 35.8 -20.3 33.1 40 74 A G S < S- 0 0 53 -3,-2.0 2,-0.3 4,-0.1 3,-0.1 -0.569 89.0 -27.0 95.5 -63.7 33.4 -22.6 34.8 41 75 A S > - 0 0 46 -2,-1.3 4,-2.6 1,-0.1 5,-0.2 -0.965 57.5-107.7-171.7 160.6 30.8 -21.6 32.3 42 76 A R H > S+ 0 0 62 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.923 123.7 51.3 -62.4 -41.6 29.8 -18.8 30.0 43 77 A K H > S+ 0 0 145 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.886 109.1 50.2 -60.5 -42.6 26.9 -18.2 32.4 44 78 A A H > S+ 0 0 33 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.921 111.5 48.2 -61.4 -46.8 29.3 -18.1 35.4 45 79 A L H X S+ 0 0 3 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.910 111.7 49.5 -60.4 -45.7 31.6 -15.7 33.7 46 80 A A H X S+ 0 0 6 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.937 111.5 48.6 -59.5 -47.9 28.7 -13.4 32.7 47 81 A E H X S+ 0 0 81 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.902 111.2 50.7 -60.5 -42.0 27.3 -13.4 36.2 48 82 A K H X S+ 0 0 53 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.907 112.4 46.9 -61.5 -43.7 30.8 -12.6 37.6 49 83 A A H X S+ 0 0 0 -4,-2.5 4,-3.5 2,-0.2 5,-0.2 0.927 110.1 52.0 -66.5 -43.4 31.2 -9.8 35.3 50 84 A V H X S+ 0 0 27 -4,-3.0 4,-2.9 2,-0.2 5,-0.2 0.939 111.1 48.4 -59.7 -43.7 27.7 -8.4 36.0 51 85 A R H X S+ 0 0 122 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.961 114.8 44.9 -60.3 -48.0 28.5 -8.5 39.8 52 86 A G H X S+ 0 0 19 -4,-2.6 4,-2.4 1,-0.2 5,-0.3 0.939 114.2 48.4 -63.4 -45.4 31.8 -6.7 39.2 53 87 A L H X S+ 0 0 0 -4,-3.5 4,-2.4 -5,-0.2 -1,-0.2 0.899 110.4 51.6 -62.8 -37.4 30.3 -4.2 36.9 54 88 A R H X S+ 0 0 158 -4,-2.9 4,-2.3 -5,-0.2 -1,-0.2 0.889 111.1 49.8 -63.9 -38.7 27.4 -3.5 39.3 55 89 A R H X S+ 0 0 172 -4,-2.3 4,-1.4 -5,-0.2 -2,-0.2 0.898 111.4 45.5 -67.3 -42.9 29.9 -2.9 42.0 56 90 A A H <>S+ 0 0 1 -4,-2.4 5,-2.2 2,-0.2 4,-0.4 0.914 111.9 53.9 -67.4 -37.4 32.0 -0.5 40.0 57 91 A R H ><5S+ 0 0 112 -4,-2.4 3,-2.0 -5,-0.3 -2,-0.2 0.943 104.0 54.4 -61.5 -43.3 28.8 1.2 38.9 58 92 A A H 3<5S+ 0 0 90 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.871 106.4 55.4 -57.2 -32.1 27.9 1.6 42.6 59 93 A A T 3<5S- 0 0 29 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.460 131.2 -90.0 -80.7 -4.5 31.3 3.3 43.0 60 94 A G T < 5S+ 0 0 23 -3,-2.0 2,-0.4 -4,-0.4 -43,-0.4 0.419 78.1 140.9 113.8 -10.2 30.7 5.8 40.3 61 95 A V < + 0 0 0 -5,-2.2 -1,-0.3 1,-0.2 -43,-0.2 -0.590 16.3 169.6 -73.5 121.4 31.9 4.2 37.1 62 96 A R + 0 0 153 -45,-2.5 27,-2.3 -2,-0.4 2,-0.3 0.696 64.3 21.3-101.0 -32.6 29.5 5.0 34.3 63 97 A T E -bc 18 89B 1 -46,-1.9 -44,-2.0 25,-0.2 2,-0.4 -0.995 57.5-165.7-141.4 148.4 31.6 3.6 31.3 64 98 A I E -bc 19 90B 0 25,-2.5 27,-2.5 -2,-0.3 2,-0.7 -0.972 18.1-138.8-129.9 143.2 34.4 1.2 30.8 65 99 A V E - c 0 91B 0 -46,-2.6 -43,-2.0 -2,-0.4 2,-1.1 -0.930 14.9-153.3-103.1 109.9 36.5 0.8 27.7 66 100 A D E -b 22 0B 1 25,-2.7 27,-0.5 -2,-0.7 -43,-0.2 -0.764 9.3-170.7 -89.3 102.5 37.0 -2.9 27.0 67 101 A V + 0 0 0 -45,-2.0 2,-0.5 -2,-1.1 -44,-0.1 0.062 37.1 132.6 -82.4 24.4 40.3 -2.9 25.1 68 102 A S - 0 0 1 -46,-0.2 25,-0.6 4,-0.1 2,-0.1 -0.666 40.0-161.6 -81.1 123.9 40.1 -6.6 24.1 69 103 A T > > - 0 0 0 -2,-0.5 3,-2.0 23,-0.1 5,-1.9 -0.410 41.6 -82.4 -92.9 179.1 40.9 -7.0 20.4 70 104 A F G > 5S+ 0 0 10 25,-0.7 3,-1.3 1,-0.3 -40,-0.1 0.899 132.8 48.7 -47.1 -49.6 40.1 -9.9 18.2 71 105 A D G 3 5S+ 0 0 2 1,-0.3 -42,-0.3 24,-0.3 -1,-0.3 0.538 100.6 61.7 -75.0 -7.1 43.2 -11.7 19.5 72 106 A I G < 5S- 0 0 5 -3,-2.0 -45,-2.5 -44,-0.2 -1,-0.3 0.353 122.2-109.5 -93.6 1.0 42.4 -11.0 23.2 73 107 A G T < 5 - 0 0 13 -3,-1.3 -45,-0.2 -4,-0.4 -3,-0.2 0.786 46.9-170.2 80.4 24.5 39.3 -13.1 22.4 74 108 A R < - 0 0 14 -5,-1.9 2,-0.5 -47,-0.1 -44,-0.2 -0.168 9.0-164.3 -51.3 135.0 36.8 -10.2 22.6 75 109 A D >> - 0 0 13 1,-0.1 4,-1.9 -50,-0.1 3,-1.0 -0.844 3.7-170.5-125.3 89.9 33.3 -11.5 22.5 76 110 A V H 3> S+ 0 0 0 -2,-0.5 4,-2.9 1,-0.3 5,-0.2 0.834 84.2 60.4 -52.7 -35.4 31.1 -8.6 21.7 77 111 A S H 3> S+ 0 0 43 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.911 106.6 47.1 -61.3 -37.5 28.0 -10.5 22.4 78 112 A L H <> S+ 0 0 2 -3,-1.0 4,-2.9 2,-0.2 5,-0.3 0.908 110.3 53.0 -66.7 -43.3 29.2 -11.0 26.0 79 113 A L H X S+ 0 0 5 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.944 111.8 45.9 -57.3 -49.2 30.1 -7.4 26.3 80 114 A A H X S+ 0 0 12 -4,-2.9 4,-2.2 2,-0.2 5,-0.2 0.918 112.0 50.9 -62.0 -44.7 26.6 -6.4 25.1 81 115 A E H X S+ 0 0 107 -4,-2.4 4,-2.5 -5,-0.2 5,-0.2 0.953 115.1 41.5 -61.2 -49.1 24.9 -8.9 27.5 82 116 A V H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 5,-0.3 0.868 111.2 56.3 -69.3 -30.7 26.8 -7.7 30.5 83 117 A S H X>S+ 0 0 0 -4,-2.3 4,-1.6 -5,-0.3 5,-1.4 0.939 111.9 43.8 -63.6 -44.4 26.5 -4.0 29.6 84 118 A R H <5S+ 0 0 155 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.952 114.9 48.4 -65.3 -51.0 22.7 -4.4 29.5 85 119 A A H <5S+ 0 0 62 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.891 122.5 31.5 -63.1 -38.1 22.5 -6.4 32.6 86 120 A A H <5S- 0 0 3 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.630 102.3-128.8 -94.8 -11.3 24.7 -4.2 34.8 87 121 A D T <5 + 0 0 76 -4,-1.6 2,-0.4 -5,-0.3 -3,-0.2 0.952 60.8 133.6 60.7 56.1 23.7 -1.0 33.1 88 122 A V < - 0 0 2 -5,-1.4 -1,-0.2 -6,-0.2 2,-0.2 -0.999 59.5-115.2-132.6 132.3 27.2 0.3 32.4 89 123 A H E -c 63 0B 29 -27,-2.3 -25,-2.5 -2,-0.4 2,-0.5 -0.460 31.2-165.2 -69.2 136.1 28.4 1.6 29.1 90 124 A I E -c 64 0B 0 -27,-0.2 -84,-2.8 -2,-0.2 2,-0.5 -0.972 8.3-155.1-129.3 122.2 31.0 -0.5 27.4 91 125 A V E -c 65 0B 0 -27,-2.5 -25,-2.7 -2,-0.5 2,-0.2 -0.861 17.0-146.2 -95.6 127.3 33.1 0.7 24.5 92 126 A A - 0 0 0 -2,-0.5 40,-3.5 38,-0.4 41,-0.8 -0.517 11.2-142.1 -91.8 158.5 34.5 -2.1 22.3 93 127 A A E -e 133 0D 0 -25,-0.6 41,-0.2 -27,-0.5 2,-0.2 -0.796 13.7-165.9-120.2 163.4 37.8 -2.1 20.5 94 128 A T E +e 134 0D 0 39,-2.3 41,-2.9 -2,-0.3 2,-0.2 -0.477 46.9 87.8-123.1-162.2 39.4 -3.2 17.3 95 129 A G E S-e 135 0D 0 39,-0.3 -25,-0.7 -2,-0.2 2,-0.3 -0.571 73.5 -89.0 102.3-169.3 43.2 -3.5 16.6 96 130 A L - 0 0 1 39,-1.2 41,-0.4 -2,-0.2 57,-0.1 -0.983 30.7-161.1-146.4 135.6 45.5 -6.4 17.3 97 131 A W - 0 0 33 -2,-0.3 40,-0.2 39,-0.2 52,-0.1 0.149 50.3 -67.4 -94.8-146.5 47.4 -7.2 20.4 98 132 A F S S+ 0 0 63 1,-0.2 48,-0.0 38,-0.1 41,-0.0 0.275 116.4 64.3-102.1 21.8 50.4 -9.5 20.6 99 133 A D + 0 0 14 335,-0.0 -1,-0.2 2,-0.0 336,-0.1 -0.240 62.5 161.6-129.3 45.8 48.9 -12.9 19.8 100 134 A P - 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