==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-APR-95 1PSC . COMPND 2 MOLECULE: PHOSPHOTRIESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BREVUNDIMONAS DIMINUTA; . AUTHOR M.M.BENNING,H.M.HOLDEN . 659 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23790.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 483 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 2.1 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 . 1 0.2 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 . 226 34.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 4.6 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 8 0 0 6 4 0 2 4 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 9 3 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 . 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 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 0 101 0, 0.0 11,-1.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -44.6 29.6 14.2 19.0 2 36 A R E -A 11 0A 160 9,-0.2 2,-0.4 10,-0.1 9,-0.2 -0.906 360.0-143.2-123.6 150.0 28.7 10.6 19.9 3 37 A I E -A 10 0A 4 7,-3.3 7,-2.2 -2,-0.3 2,-0.4 -0.945 23.5-117.7-114.4 136.7 30.8 7.7 21.1 4 38 A N E +A 9 0A 42 -2,-0.4 88,-0.3 5,-0.2 2,-0.2 -0.626 37.9 171.8 -80.8 126.4 30.3 4.1 20.0 5 39 A T E > -A 8 0A 5 3,-1.7 3,-1.6 -2,-0.4 125,-0.3 -0.735 48.4-101.2-123.1 170.2 29.3 1.7 22.7 6 40 A V T 3 S+ 0 0 3 84,-2.5 85,-0.1 1,-0.3 74,-0.1 0.631 126.2 44.4 -67.7 -14.7 28.2 -1.9 22.7 7 41 A R T 3 S- 0 0 71 1,-0.5 -1,-0.3 83,-0.2 84,-0.1 0.259 128.9 -88.6-107.6 7.2 24.7 -0.8 23.2 8 42 A G E < -A 5 0A 21 -3,-1.6 -3,-1.7 122,-0.1 -1,-0.5 -0.713 68.1 -21.3 121.1-169.3 25.0 1.9 20.6 9 43 A P E -A 4 0A 57 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.506 51.6-174.1 -81.5 146.6 26.0 5.5 20.5 10 44 A I E -A 3 0A 9 -7,-2.2 -7,-3.3 -2,-0.2 2,-0.2 -0.907 26.7-109.4-132.7 160.0 26.1 7.9 23.4 11 45 A T E >> -A 2 0A 51 -2,-0.3 3,-0.7 -9,-0.2 4,-0.6 -0.538 33.2-109.7 -85.9 160.1 26.7 11.5 23.7 12 46 A I H >> S+ 0 0 43 -11,-1.3 3,-1.5 1,-0.2 4,-0.5 0.867 116.8 58.1 -55.2 -41.4 29.8 12.7 25.3 13 47 A S H >4 S+ 0 0 98 1,-0.3 3,-0.6 2,-0.2 -1,-0.2 0.871 99.3 59.8 -60.7 -34.5 27.9 14.0 28.3 14 48 A E H <4 S+ 0 0 74 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.628 87.2 75.5 -68.6 -16.6 26.5 10.6 29.0 15 49 A A H << + 0 0 2 -3,-1.5 47,-0.2 -4,-0.6 -1,-0.2 0.919 67.5 162.6 -64.2 -41.0 30.0 9.0 29.4 16 50 A G << + 0 0 11 -3,-0.6 2,-0.3 -4,-0.5 -1,-0.1 -0.192 58.7 11.2 58.1-150.5 30.6 10.5 32.9 17 51 A F S S- 0 0 32 43,-0.5 45,-2.6 303,-0.0 46,-2.1 -0.384 82.9-167.8 -60.2 117.8 33.3 9.0 35.0 18 52 A T E -b 63 0B 3 298,-2.4 2,-0.6 -2,-0.3 46,-0.2 -0.953 24.6-148.8-121.3 132.8 35.2 6.6 32.6 19 53 A L E -b 64 0B 0 44,-2.6 46,-2.3 -2,-0.4 3,-0.2 -0.851 19.2-162.1 -92.1 114.7 37.8 3.9 33.2 20 54 A T E + 0 0 8 244,-0.9 2,-0.3 -2,-0.6 245,-0.1 0.559 69.6 35.3 -81.5 -8.8 40.0 4.0 30.0 21 55 A H E S+ 0 0 4 243,-0.1 246,-1.8 45,-0.1 245,-0.4 -0.786 79.5 117.0-148.4 97.5 41.8 0.7 30.1 22 56 A E E -b 66 0B 0 43,-2.0 45,-2.1 -2,-0.3 2,-0.3 -0.887 39.7-143.2-148.0-178.5 40.0 -2.4 31.3 23 57 A H - 0 0 16 245,-1.6 3,-0.2 -2,-0.3 247,-0.1 -0.995 16.2-153.6-149.4 150.6 38.8 -5.7 30.3 24 58 A I S S+ 0 0 1 1,-0.4 246,-2.9 -2,-0.3 247,-0.6 0.901 94.0 0.5 -85.2 -49.0 35.8 -8.0 30.9 25 59 A C E -d 271 0C 12 244,-0.2 2,-0.7 245,-0.2 -1,-0.4 -0.999 61.3-147.5-139.9 139.7 37.9 -11.1 30.1 26 60 A G E +d 272 0C 4 245,-2.4 247,-2.7 -2,-0.3 248,-1.1 -0.931 53.9 116.2-105.3 105.1 41.6 -11.6 29.0 27 61 A S - 0 0 1 45,-2.4 2,-0.3 -2,-0.7 46,-0.2 -0.415 59.6 -83.0-142.1-142.7 41.7 -14.6 26.7 28 62 A S >> - 0 0 0 45,-0.2 3,-2.3 -2,-0.2 4,-0.6 -0.970 53.8 -72.3-142.1 153.0 42.4 -15.6 23.1 29 63 A A T 34 S- 0 0 12 42,-0.3 331,-0.1 -2,-0.3 330,-0.1 -0.193 117.8 -2.7 -48.4 130.3 40.4 -15.5 19.8 30 64 A G T 3> S+ 0 0 31 44,-0.2 4,-1.8 40,-0.1 -1,-0.3 0.298 102.1 112.0 72.3 -11.1 37.7 -18.2 19.8 31 65 A F H <> S+ 0 0 0 -3,-2.3 4,-3.3 1,-0.2 -2,-0.1 0.944 71.2 53.2 -64.3 -46.0 38.8 -19.6 23.3 32 66 A L H < S+ 0 0 8 -4,-0.6 -1,-0.2 1,-0.3 7,-0.1 0.896 113.9 43.4 -56.0 -40.3 35.7 -18.5 25.2 33 67 A R H 4 S+ 0 0 81 1,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.834 118.2 44.5 -77.2 -32.1 33.4 -20.2 22.8 34 68 A A H < S+ 0 0 1 -4,-1.8 421,-0.4 1,-0.2 -2,-0.2 0.841 130.5 15.7 -83.1 -30.4 35.5 -23.3 22.6 35 69 A W >< + 0 0 20 -4,-3.3 3,-2.0 -5,-0.1 4,-0.3 -0.371 64.6 155.2-141.6 60.5 36.3 -23.9 26.3 36 70 A P G > + 0 0 20 0, 0.0 3,-2.0 0, 0.0 9,-0.1 0.785 69.6 70.3 -58.5 -28.7 33.9 -21.8 28.4 37 71 A E G > S+ 0 0 74 1,-0.3 3,-2.0 2,-0.2 -5,-0.1 0.673 77.5 78.4 -65.0 -17.3 34.4 -24.2 31.3 38 72 A F G < S+ 0 0 45 -3,-2.0 -1,-0.3 1,-0.3 3,-0.1 0.804 100.8 41.4 -61.5 -24.3 37.9 -23.0 31.7 39 73 A F G < S- 0 0 31 -3,-2.0 2,-1.6 -4,-0.3 -1,-0.3 0.117 127.9 -99.4-105.2 19.5 36.2 -20.1 33.5 40 74 A G S < S- 0 0 54 -3,-2.0 2,-0.3 4,-0.1 -1,-0.1 -0.542 89.3 -31.3 96.3 -68.4 33.7 -22.3 35.3 41 75 A S > - 0 0 45 -2,-1.6 4,-1.9 1,-0.1 5,-0.2 -0.950 60.5-102.9-170.6 165.0 31.1 -21.5 32.8 42 76 A R H > S+ 0 0 67 -2,-0.3 4,-2.8 1,-0.2 5,-0.1 0.882 122.6 51.5 -65.4 -35.4 30.1 -18.6 30.5 43 77 A K H > S+ 0 0 143 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.933 107.8 49.5 -64.4 -48.1 27.3 -17.8 32.9 44 78 A A H > S+ 0 0 39 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.927 111.5 49.0 -60.6 -39.9 29.5 -17.7 35.9 45 79 A L H X S+ 0 0 5 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.951 112.8 48.6 -64.6 -45.0 32.0 -15.4 34.1 46 80 A A H X S+ 0 0 6 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.928 111.6 48.3 -60.1 -46.2 29.1 -13.2 33.1 47 81 A E H X S+ 0 0 89 -4,-3.4 4,-2.5 1,-0.2 5,-0.2 0.932 110.5 52.2 -61.5 -41.7 27.7 -13.1 36.7 48 82 A K H X S+ 0 0 56 -4,-2.6 4,-2.2 -5,-0.3 -1,-0.2 0.926 111.0 47.4 -59.2 -44.6 31.1 -12.3 38.1 49 83 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.869 109.9 52.4 -65.0 -40.2 31.5 -9.4 35.6 50 84 A V H X S+ 0 0 28 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.942 110.6 47.2 -64.9 -46.2 28.0 -8.0 36.4 51 85 A R H X S+ 0 0 149 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.957 114.0 47.9 -59.6 -45.9 28.6 -7.9 40.1 52 86 A G H X S+ 0 0 15 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.883 113.6 46.7 -61.0 -41.2 32.0 -6.3 39.6 53 87 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.890 109.4 53.2 -68.8 -40.1 30.6 -3.7 37.3 54 88 A R H X S+ 0 0 149 -4,-3.1 4,-2.2 2,-0.2 -2,-0.2 0.912 109.2 51.5 -61.8 -36.2 27.6 -2.9 39.6 55 89 A R H X S+ 0 0 139 -4,-2.2 4,-1.3 -5,-0.2 -2,-0.2 0.885 111.3 45.9 -67.4 -40.3 30.1 -2.3 42.4 56 90 A A H <>S+ 0 0 0 -4,-1.8 5,-2.5 2,-0.2 4,-0.4 0.898 111.1 53.1 -67.9 -38.6 32.1 0.1 40.3 57 91 A R H ><5S+ 0 0 116 -4,-2.7 3,-2.0 1,-0.2 -2,-0.2 0.932 104.1 56.1 -61.9 -40.5 28.9 1.8 39.2 58 92 A A H 3<5S+ 0 0 87 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.895 104.7 54.0 -58.2 -32.4 28.0 2.2 42.9 59 93 A A T 3<5S- 0 0 34 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.517 133.3 -90.4 -82.8 -2.2 31.3 4.0 43.3 60 94 A G T < 5S+ 0 0 37 -3,-2.0 -43,-0.5 -4,-0.4 2,-0.3 0.354 77.8 142.1 115.6 -9.9 30.5 6.4 40.4 61 95 A V < + 0 0 1 -5,-2.5 -1,-0.3 1,-0.2 -43,-0.2 -0.527 14.8 168.0 -68.3 124.4 31.9 4.6 37.3 62 96 A R + 0 0 123 -45,-2.6 27,-2.5 -2,-0.3 2,-0.4 0.718 61.6 27.8-107.4 -28.5 29.5 5.1 34.3 63 97 A T E -bc 18 89B 1 -46,-2.1 -44,-2.6 25,-0.2 2,-0.4 -0.994 55.7-168.3-139.0 142.2 31.7 3.9 31.4 64 98 A I E -bc 19 90B 0 25,-2.7 27,-2.4 -2,-0.4 2,-0.6 -0.961 17.5-140.8-124.1 147.2 34.5 1.5 30.9 65 99 A V E - c 0 91B 0 -46,-2.3 -43,-2.0 -2,-0.4 2,-0.9 -0.919 14.8-154.4-103.2 112.7 36.7 1.1 27.8 66 100 A D E -b 22 0B 2 25,-2.8 27,-0.3 -2,-0.6 -43,-0.2 -0.841 7.2-168.7 -91.3 108.7 37.3 -2.7 27.2 67 101 A V + 0 0 0 -45,-2.1 2,-0.4 -2,-0.9 -44,-0.1 0.085 38.1 134.8 -84.1 21.8 40.7 -2.7 25.3 68 102 A S - 0 0 0 -46,-0.2 25,-0.6 4,-0.1 2,-0.1 -0.652 39.1-161.1 -75.9 122.9 40.4 -6.4 24.4 69 103 A T > > - 0 0 0 -2,-0.4 5,-1.9 23,-0.1 3,-1.4 -0.356 40.8 -86.2 -94.1 176.3 41.3 -6.9 20.7 70 104 A F G > 5S+ 0 0 9 25,-0.7 3,-1.5 1,-0.3 -40,-0.1 0.912 131.5 50.1 -48.9 -47.0 40.4 -9.8 18.5 71 105 A D G 3 5S+ 0 0 2 1,-0.3 -42,-0.3 24,-0.3 -1,-0.3 0.592 100.9 62.3 -74.9 -7.9 43.6 -11.6 19.8 72 106 A I G < 5S- 0 0 6 -3,-1.4 -45,-2.4 -44,-0.2 -1,-0.3 0.402 122.1-109.1 -91.2 0.4 42.7 -10.9 23.4 73 107 A G T < 5 - 0 0 10 -3,-1.5 -45,-0.2 -4,-0.4 -41,-0.2 0.746 47.2-171.6 79.8 19.8 39.6 -13.0 22.7 74 108 A R < - 0 0 15 -5,-1.9 2,-0.5 -47,-0.1 -44,-0.2 -0.185 6.5-165.9 -44.8 128.0 37.1 -10.0 22.8 75 109 A D > - 0 0 12 1,-0.1 4,-2.0 -50,-0.1 3,-0.4 -0.930 3.7-169.0-121.7 97.0 33.5 -11.4 22.7 76 110 A V H > S+ 0 0 0 -2,-0.5 4,-3.2 1,-0.2 5,-0.2 0.840 84.8 58.4 -62.3 -29.4 31.3 -8.5 21.9 77 111 A S H > S+ 0 0 42 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.910 106.6 49.7 -65.6 -37.2 28.1 -10.4 22.6 78 112 A L H > S+ 0 0 3 -3,-0.4 4,-2.2 1,-0.2 5,-0.3 0.921 112.0 48.5 -65.8 -43.0 29.5 -11.0 26.2 79 113 A L H X S+ 0 0 4 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.930 109.4 51.3 -64.4 -44.8 30.2 -7.4 26.5 80 114 A A H X S+ 0 0 13 -4,-3.2 4,-1.8 1,-0.2 -2,-0.2 0.919 111.1 48.8 -59.9 -40.1 26.8 -6.3 25.3 81 115 A E H X S+ 0 0 102 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.888 113.1 44.0 -67.0 -41.8 25.1 -8.6 27.8 82 116 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 6,-0.2 0.848 111.4 55.9 -75.2 -29.0 27.0 -7.6 30.8 83 117 A S H X>S+ 0 0 0 -4,-2.0 5,-1.6 -5,-0.3 4,-1.4 0.922 111.2 43.2 -62.7 -46.2 26.7 -3.9 29.8 84 118 A R H <5S+ 0 0 154 -4,-1.8 -2,-0.2 3,-0.2 -1,-0.2 0.923 115.5 49.5 -63.1 -47.8 22.9 -4.2 29.7 85 119 A A H <5S+ 0 0 61 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.878 120.8 32.9 -65.3 -39.6 22.8 -6.2 32.9 86 120 A A H <5S- 0 0 3 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.593 100.8-129.6 -93.9 -10.5 25.0 -3.8 35.0 87 121 A D T <5 + 0 0 80 -4,-1.4 2,-0.4 1,-0.3 -3,-0.2 0.909 62.5 133.0 60.7 45.9 23.9 -0.7 33.2 88 122 A V < - 0 0 1 -5,-1.6 -1,-0.3 -6,-0.2 2,-0.2 -0.992 60.1-116.4-124.4 137.5 27.3 0.5 32.6 89 123 A H E -c 63 0B 25 -27,-2.5 -25,-2.7 -2,-0.4 2,-0.5 -0.501 28.5-162.7 -72.3 139.2 28.5 1.8 29.2 90 124 A I E -c 64 0B 0 -2,-0.2 -84,-2.5 -27,-0.2 2,-0.5 -0.979 6.7-156.3-124.7 120.2 31.2 -0.4 27.5 91 125 A V E -c 65 0B 0 -27,-2.4 -25,-2.8 -2,-0.5 2,-0.2 -0.823 19.1-146.4 -91.8 126.2 33.3 1.0 24.6 92 126 A A - 0 0 0 -2,-0.5 40,-2.8 38,-0.4 41,-0.8 -0.565 10.8-137.8 -93.5 159.1 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 -0.837 14.3-164.7-121.6 160.4 38.1 -2.0 20.7 94 128 A T E +e 134 0D 0 39,-2.4 41,-3.0 -2,-0.3 2,-0.2 -0.554 48.1 83.4-117.9-174.7 39.7 -2.9 17.4 95 129 A G E S-e 135 0D 0 39,-0.3 -25,-0.7 -2,-0.2 2,-0.3 -0.670 71.3 -88.5 113.5-168.6 43.5 -3.3 16.9 96 130 A L - 0 0 1 39,-1.5 41,-0.4 -2,-0.2 -2,-0.1 -0.995 28.6-165.1-147.9 143.0 45.9 -6.2 17.6 97 131 A W - 0 0 41 -2,-0.3 40,-0.2 39,-0.2 52,-0.1 0.089 50.3 -66.2-104.0-144.9 47.8 -7.1 20.6 98 132 A F S S+ 0 0 69 1,-0.2 48,-0.0 38,-0.1 38,-0.0 0.240 115.7 62.2-103.3 23.1 50.7 -9.5 20.8 99 133 A D + 0 0 15 332,-0.0 -1,-0.2 2,-0.0 333,-0.1 -0.242 63.9 159.2-135.0 51.1 49.2 -12.9 20.1 100 134 A P - 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