==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-JUN-11 3SO7 . COMPND 2 MOLECULE: PHOSPHOTRIESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHIZOBIUM RADIOBACTER; . AUTHOR F.ELY,M.PEDROSO,L.R.GAHAN,D.L.OLLIS,L.W.GUDDAT,G.SCHENK . 329 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12889.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 237 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 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 . 1 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 . 17 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 33.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 3 0 0 3 2 2 0 1 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 3 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 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 0 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 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 33 A T 0 0 174 0, 0.0 3,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 134.1 49.4 32.3 -25.0 2 34 A G + 0 0 69 1,-0.3 2,-0.2 0, 0.0 0, 0.0 -0.256 360.0 98.3 112.7 -48.0 46.3 34.3 -26.1 3 35 A D - 0 0 91 -2,-0.1 11,-2.3 324,-0.0 12,-0.3 -0.509 55.9-157.7 -76.1 145.7 43.3 32.6 -24.3 4 36 A L E -A 13 0A 93 9,-0.2 2,-0.3 -2,-0.2 -1,-0.0 -0.913 12.5-158.5-126.4 153.3 42.0 34.1 -21.1 5 37 A I E -A 12 0A 8 7,-2.4 7,-2.1 -2,-0.3 2,-0.4 -0.965 24.0-121.3-125.2 143.2 40.0 33.1 -18.1 6 38 A N E +A 11 0A 42 -2,-0.3 2,-0.3 5,-0.2 88,-0.2 -0.715 33.0 175.5 -82.5 134.8 38.0 35.4 -15.8 7 39 A T E > -A 10 0A 4 3,-1.5 3,-1.9 -2,-0.4 125,-0.4 -0.789 50.2 -93.1-126.4 172.1 39.0 35.4 -12.1 8 40 A V T 3 S+ 0 0 5 84,-2.8 74,-0.1 1,-0.3 85,-0.1 0.658 127.2 49.0 -64.0 -11.9 37.7 37.4 -9.2 9 41 A R T 3 S- 0 0 110 1,-0.5 -1,-0.3 83,-0.2 84,-0.1 0.260 124.9 -87.6-105.8 10.0 40.6 39.9 -9.8 10 42 A G E < S-A 7 0A 27 -3,-1.9 -3,-1.5 122,-0.1 -1,-0.5 -0.632 72.5 -21.1 112.1-177.6 40.0 40.3 -13.6 11 43 A P E -A 6 0A 86 0, 0.0 -5,-0.2 0, 0.0 -7,-0.0 -0.394 55.4-174.6 -66.9 140.2 41.3 38.4 -16.7 12 44 A I E -A 5 0A 15 -7,-2.1 -7,-2.4 -2,-0.1 2,-0.2 -0.970 35.1 -96.9-126.3 151.8 44.4 36.2 -16.5 13 45 A P E > -A 4 0A 44 0, 0.0 3,-2.1 0, 0.0 4,-0.5 -0.489 31.9-126.3 -60.1 135.9 46.3 34.3 -19.3 14 46 A V G > S+ 0 0 22 -11,-2.3 3,-1.6 1,-0.3 4,-0.5 0.878 109.9 61.7 -45.0 -43.4 45.2 30.6 -19.4 15 47 A S G 3 S+ 0 0 82 -12,-0.3 -1,-0.3 1,-0.3 3,-0.2 0.639 96.8 57.4 -69.1 -11.1 48.9 29.7 -19.1 16 48 A E G < S+ 0 0 106 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.515 81.4 84.7 -96.2 -9.3 49.2 31.4 -15.7 17 49 A A < + 0 0 1 -3,-1.6 47,-0.2 -4,-0.5 -1,-0.2 0.915 67.4 162.9 -51.8 -47.1 46.5 29.3 -14.0 18 50 A G + 0 0 9 -4,-0.5 2,-0.5 -3,-0.2 -1,-0.1 -0.272 55.3 14.6 65.1-147.7 49.2 26.7 -13.4 19 51 A F S S- 0 0 27 43,-0.4 45,-2.3 -3,-0.1 46,-2.0 -0.478 85.8-174.1 -61.1 112.5 48.4 24.0 -10.8 20 52 A T E -b 65 0B 3 298,-2.1 2,-0.7 -2,-0.5 246,-0.2 -0.963 28.7-147.8-124.9 126.0 44.7 24.5 -10.3 21 53 A L E -b 66 0B 0 44,-2.7 46,-2.5 -2,-0.4 3,-0.2 -0.840 17.3-163.3 -87.8 115.2 42.2 22.9 -7.9 22 54 A T E S+ 0 0 6 244,-0.9 2,-0.3 -2,-0.7 245,-0.1 0.518 72.6 40.1 -86.3 -6.7 38.9 22.7 -10.0 23 55 A H E S+ 0 0 2 243,-0.2 246,-2.0 45,-0.1 245,-0.5 -0.720 78.5 121.8-143.9 97.4 36.3 22.1 -7.2 24 56 A E E -b 68 0B 0 43,-2.0 45,-2.5 -2,-0.3 2,-0.3 -0.816 39.0-148.5-145.3 167.4 36.8 24.1 -4.0 25 57 A H - 0 0 8 245,-1.5 3,-0.2 -2,-0.3 247,-0.1 -0.981 15.5-156.0-141.3 145.3 34.9 26.7 -1.9 26 58 A I S S+ 0 0 0 1,-0.3 246,-2.7 -2,-0.3 247,-1.0 0.888 94.2 0.2 -76.0 -44.9 36.0 29.6 0.3 27 59 A C E -d 273 0C 11 245,-0.2 2,-0.8 244,-0.2 -1,-0.3 -0.977 61.8-149.7-147.6 124.5 32.8 29.2 2.2 28 60 A G E +d 274 0C 3 245,-2.4 247,-2.8 -2,-0.3 248,-1.0 -0.882 52.6 122.2 -93.7 110.6 29.8 26.8 1.8 29 61 A S - 0 0 1 45,-2.7 2,-0.3 -2,-0.8 46,-0.2 -0.362 58.6 -84.4-141.3-149.2 26.8 28.8 3.0 30 62 A S >> - 0 0 32 45,-0.2 3,-1.9 44,-0.1 4,-0.6 -0.952 53.5 -78.3-135.9 151.8 23.4 30.1 1.8 31 63 A A T 34 S+ 0 0 44 -2,-0.3 42,-0.1 42,-0.3 46,-0.1 -0.320 117.3 3.0 -48.3 127.4 22.4 33.1 -0.3 32 64 A G T 3> S+ 0 0 51 44,-0.2 4,-2.2 1,-0.1 -1,-0.2 0.224 100.9 109.7 82.5 -11.7 22.4 36.2 2.1 33 65 A F H <> S+ 0 0 45 -3,-1.9 4,-2.7 2,-0.2 -2,-0.1 0.893 72.8 50.5 -73.5 -42.7 23.7 34.3 5.1 34 66 A L H < S+ 0 0 9 -4,-0.6 -1,-0.2 1,-0.2 7,-0.1 0.890 115.7 45.1 -64.4 -38.1 27.2 35.7 5.5 35 67 A R H 4 S+ 0 0 179 1,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.883 119.1 41.7 -66.8 -39.8 25.7 39.3 5.3 36 68 A A H < S+ 0 0 84 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.802 132.2 16.5 -78.9 -30.6 22.8 38.5 7.7 37 69 A W >< + 0 0 137 -4,-2.7 3,-1.2 -5,-0.2 4,-0.3 -0.467 62.7 156.1-148.1 58.5 24.7 36.4 10.3 38 70 A P G > S+ 0 0 30 0, 0.0 3,-1.7 0, 0.0 9,-0.1 0.787 71.1 70.4 -58.2 -30.9 28.6 36.8 10.1 39 71 A E G > S+ 0 0 127 1,-0.3 3,-2.4 2,-0.2 -5,-0.1 0.690 78.7 76.9 -61.5 -22.6 29.0 35.8 13.8 40 72 A F G < S+ 0 0 60 -3,-1.2 -1,-0.3 1,-0.3 3,-0.1 0.871 102.8 40.0 -52.8 -33.6 28.0 32.3 12.8 41 73 A F G < S- 0 0 30 -3,-1.7 2,-1.3 -4,-0.3 -1,-0.3 0.152 127.1-102.0 -99.2 17.9 31.6 32.1 11.5 42 74 A G S < S- 0 0 53 -3,-2.4 2,-0.3 4,-0.1 -1,-0.1 -0.631 89.7 -32.0 89.9 -67.8 33.1 34.1 14.5 43 75 A S > - 0 0 47 -2,-1.3 4,-1.8 1,-0.1 -4,-0.1 -0.946 60.6-103.7-162.1 169.7 33.1 37.2 12.2 44 76 A R H > S+ 0 0 78 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.911 122.7 55.0 -64.7 -40.9 33.6 37.9 8.5 45 77 A K H > S+ 0 0 154 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.909 108.4 48.1 -56.0 -45.3 37.2 39.1 9.4 46 78 A A H > S+ 0 0 40 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.890 111.3 51.1 -62.5 -40.9 38.0 35.8 11.1 47 79 A L H X S+ 0 0 5 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.963 111.6 45.7 -61.2 -51.0 36.6 33.9 8.1 48 80 A A H X S+ 0 0 3 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.850 112.4 52.1 -57.7 -42.1 38.8 35.9 5.6 49 81 A E H X S+ 0 0 94 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.910 110.5 46.6 -63.2 -49.6 41.9 35.5 7.8 50 82 A K H X S+ 0 0 57 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.900 114.2 49.0 -58.8 -45.1 41.4 31.7 8.0 51 83 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.889 111.3 49.3 -59.6 -48.8 40.8 31.5 4.2 52 84 A V H X S+ 0 0 14 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.926 113.4 46.3 -56.1 -48.1 43.9 33.6 3.5 53 85 A R H X S+ 0 0 156 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.906 114.6 48.4 -62.5 -43.9 46.1 31.4 5.8 54 86 A G H X S+ 0 0 15 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.894 113.4 46.6 -59.5 -40.8 44.6 28.3 4.2 55 87 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.842 109.4 52.7 -77.2 -36.0 45.2 29.6 0.7 56 88 A R H X S+ 0 0 139 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.849 108.4 53.1 -63.7 -34.9 48.8 30.7 1.4 57 89 A H H X S+ 0 0 74 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.917 110.9 45.2 -65.5 -45.6 49.4 27.2 2.7 58 90 A A H <>S+ 0 0 0 -4,-1.8 5,-2.7 2,-0.2 4,-0.4 0.920 112.0 52.7 -60.2 -47.2 48.1 25.8 -0.6 59 91 A R H ><5S+ 0 0 105 -4,-2.8 3,-1.7 3,-0.2 -2,-0.2 0.927 106.6 52.2 -51.5 -47.9 50.2 28.3 -2.5 60 92 A A H 3<5S+ 0 0 91 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.844 107.1 53.8 -60.8 -33.3 53.4 27.2 -0.6 61 93 A A T 3<5S- 0 0 29 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.448 133.8 -90.8 -77.6 -6.2 52.5 23.5 -1.7 62 94 A G T < 5S+ 0 0 34 -3,-1.7 2,-0.5 -4,-0.4 -43,-0.4 0.385 78.6 143.7 113.3 -0.6 52.4 24.7 -5.3 63 95 A V < + 0 0 0 -5,-2.7 -1,-0.3 1,-0.2 -43,-0.2 -0.570 14.8 168.4 -71.5 122.0 48.7 25.6 -5.8 64 96 A Q + 0 0 85 -45,-2.3 27,-2.3 -2,-0.5 2,-0.3 0.758 62.5 20.8-103.2 -28.1 48.4 28.7 -8.1 65 97 A T E -bc 20 91B 0 -46,-2.0 -44,-2.7 25,-0.2 2,-0.3 -0.997 54.6-168.9-143.4 141.1 44.6 28.7 -8.8 66 98 A I E -bc 21 92B 0 25,-2.6 27,-2.4 -2,-0.3 2,-0.6 -0.956 20.1-136.9-123.5 155.0 41.3 27.4 -7.3 67 99 A V E - c 0 93B 0 -46,-2.5 -43,-2.0 -2,-0.3 2,-1.0 -0.954 16.4-150.5-105.7 112.8 37.9 27.3 -8.9 68 100 A D E -bc 24 94B 1 25,-2.5 27,-0.6 -2,-0.6 -43,-0.2 -0.793 9.8-168.3 -85.5 104.3 35.4 28.3 -6.2 69 101 A V + 0 0 0 -45,-2.5 2,-0.4 -2,-1.0 -44,-0.1 0.192 38.8 133.2 -86.1 18.3 32.3 26.4 -7.4 70 102 A S - 0 0 1 -46,-0.2 25,-0.7 4,-0.1 2,-0.2 -0.586 37.7-166.6 -66.9 121.9 30.0 28.3 -4.9 71 103 A T > > - 0 0 0 -2,-0.4 5,-1.8 23,-0.1 3,-1.6 -0.478 42.7 -79.4 -92.2 170.0 26.9 29.4 -6.8 72 104 A F G > 5S+ 0 0 61 25,-0.6 3,-1.2 1,-0.2 26,-0.1 0.864 131.7 49.1 -26.0 -56.8 24.2 31.9 -5.7 73 105 A D G 3 5S+ 0 0 2 1,-0.3 -42,-0.3 24,-0.2 -1,-0.2 0.537 101.9 59.8 -82.6 -6.1 22.6 29.3 -3.4 74 106 A I G < 5S- 0 0 3 -3,-1.6 -45,-2.7 -44,-0.2 -1,-0.3 0.305 121.4-109.9 -91.8 3.3 25.9 28.2 -1.7 75 107 A G T < 5 - 0 0 12 -3,-1.2 -45,-0.2 -4,-0.3 -41,-0.2 0.748 44.0-165.1 75.5 25.1 26.0 31.9 -0.7 76 108 A R < - 0 0 13 -5,-1.8 2,-0.6 -47,-0.1 -1,-0.2 -0.122 6.6-163.1 -37.4 125.1 28.9 32.8 -2.9 77 109 A D >> - 0 0 21 1,-0.1 4,-2.0 -50,-0.1 3,-0.6 -0.864 5.4-172.3-123.3 91.1 30.4 36.2 -1.8 78 110 A V H 3> S+ 0 0 1 -2,-0.6 4,-2.7 1,-0.3 5,-0.2 0.820 83.7 57.2 -60.3 -29.5 32.4 37.4 -4.7 79 111 A R H 3> S+ 0 0 123 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.904 107.2 47.9 -66.1 -40.5 33.8 40.3 -2.7 80 112 A L H <> S+ 0 0 3 -3,-0.6 4,-2.6 2,-0.2 5,-0.2 0.912 111.4 51.9 -63.5 -41.4 35.1 37.9 -0.0 81 113 A L H X S+ 0 0 3 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.936 111.1 46.9 -58.5 -48.3 36.7 35.8 -2.9 82 114 A A H X S+ 0 0 23 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.889 111.2 51.8 -61.8 -44.6 38.4 38.9 -4.3 83 115 A E H X S+ 0 0 98 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.916 115.4 39.2 -58.5 -49.4 39.7 39.9 -1.0 84 116 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 6,-0.2 0.840 113.2 55.1 -76.7 -34.4 41.3 36.6 -0.1 85 117 A S H X>S+ 0 0 0 -4,-2.6 5,-1.6 -5,-0.2 4,-1.0 0.951 112.9 43.9 -53.3 -55.4 42.6 35.9 -3.6 86 118 A R H <5S+ 0 0 175 -4,-2.3 3,-0.4 -5,-0.2 -2,-0.2 0.914 116.4 46.0 -54.7 -51.1 44.3 39.2 -3.5 87 119 A A H <5S+ 0 0 44 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.866 120.3 37.6 -65.7 -37.9 45.7 38.7 0.1 88 120 A A H <5S- 0 0 4 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.475 102.1-126.7 -92.1 -4.0 46.9 35.1 -0.5 89 121 A D T <5 + 0 0 78 -4,-1.0 2,-0.4 -3,-0.4 -3,-0.2 0.903 67.2 128.4 55.6 45.8 48.2 35.6 -4.1 90 122 A V < - 0 0 0 -5,-1.6 -25,-0.2 -6,-0.2 -1,-0.2 -0.999 60.6-121.4-128.5 127.9 46.1 32.7 -5.4 91 123 A H E -c 65 0B 38 -27,-2.3 -25,-2.6 -2,-0.4 2,-0.4 -0.461 25.4-160.2 -66.6 144.7 43.8 33.1 -8.4 92 124 A I E -c 66 0B 0 -27,-0.2 -84,-2.8 -2,-0.1 2,-0.6 -0.984 7.0-156.0-130.7 119.9 40.1 32.3 -7.8 93 125 A V E -c 67 0B 2 -27,-2.4 -25,-2.5 -2,-0.4 2,-0.2 -0.841 19.7-144.6 -89.9 122.2 37.7 31.5 -10.6 94 126 A A E -c 68 0B 0 -2,-0.6 40,-3.0 38,-0.4 41,-0.8 -0.513 11.2-136.2 -85.1 156.3 34.1 32.2 -9.5 95 127 A A E -e 135 0D 0 -25,-0.7 2,-0.2 -27,-0.6 41,-0.2 -0.765 14.5-168.3-108.9 153.6 31.0 30.2 -10.6 96 128 A T E +e 136 0D 0 39,-2.6 41,-3.2 -2,-0.3 2,-0.2 -0.575 49.3 80.7-111.3-172.7 27.4 30.8 -11.8 97 129 A G E S-e 137 0D 0 39,-0.3 -25,-0.6 -2,-0.2 2,-0.3 -0.618 77.5 -82.3 111.0-170.5 24.8 28.1 -11.9 98 130 A L - 0 0 1 39,-1.1 41,-0.5 -2,-0.2 -2,-0.0 -0.996 28.7-155.8-138.5 140.1 22.6 26.6 -9.2 99 131 A W - 0 0 38 -2,-0.3 40,-0.3 39,-0.2 -27,-0.0 0.099 50.5 -76.8 -88.8-158.0 23.4 23.9 -6.6 100 132 A F S S+ 0 0 77 1,-0.2 48,-0.0 38,-0.1 41,-0.0 0.152 117.2 68.8-100.4 23.2 20.6 21.8 -4.9 101 133 A D + 0 0 82 2,-0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.050 62.6 156.0-125.1 41.3 19.4 24.5 -2.4 102 134 A P - 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