==== 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 1I0D . 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) . 23741.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 479 72.4 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 . 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 . 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 . 80 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 226 34.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 4.5 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 2 0 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 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 . 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 0 148 0, 0.0 11,-1.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -6.6 29.2 14.2 19.1 2 36 A R E -A 11 0A 152 9,-0.2 2,-0.5 324,-0.1 9,-0.2 -0.978 360.0-153.0-134.7 147.6 28.7 10.5 19.7 3 37 A I E -A 10 0A 2 7,-2.7 7,-2.4 -2,-0.4 2,-0.4 -0.948 26.3-125.2-112.4 127.8 30.7 7.6 21.1 4 38 A N E +A 9 0A 43 -2,-0.5 88,-0.3 5,-0.2 2,-0.3 -0.584 35.2 173.1 -77.0 131.4 30.0 4.0 19.9 5 39 A T E > -A 8 0A 3 3,-1.3 3,-1.7 -2,-0.4 125,-0.3 -0.774 50.1 -96.2-126.0 172.5 29.2 1.5 22.7 6 40 A V T 3 S+ 0 0 6 84,-2.7 85,-0.1 1,-0.3 74,-0.1 0.627 128.0 47.4 -69.6 -10.9 28.1 -2.1 22.6 7 41 A R T 3 S- 0 0 65 1,-0.5 -1,-0.3 83,-0.2 84,-0.1 0.273 127.5 -89.7-107.0 5.4 24.5 -0.8 23.2 8 42 A G E < S-A 5 0A 22 -3,-1.7 -3,-1.3 122,-0.1 -1,-0.5 -0.663 71.0 -20.4 116.9-173.7 24.8 1.9 20.4 9 43 A P E -A 4 0A 77 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.399 54.6-168.4 -72.7 144.9 25.9 5.4 20.3 10 44 A I E -A 3 0A 10 -7,-2.4 -7,-2.7 -2,-0.1 2,-0.1 -0.915 25.7-108.9-126.9 157.9 26.0 7.6 23.4 11 45 A T E >> -A 2 0A 58 -2,-0.3 3,-1.0 -9,-0.2 4,-0.8 -0.470 34.3-108.9 -80.9 160.3 26.5 11.4 23.7 12 46 A I H >> S+ 0 0 41 -11,-1.0 3,-1.2 1,-0.3 4,-0.6 0.913 119.1 55.2 -54.4 -41.8 29.8 12.6 25.1 13 47 A S H 34 S+ 0 0 107 1,-0.2 3,-0.4 2,-0.2 -1,-0.3 0.777 98.7 62.0 -65.0 -24.5 28.0 13.7 28.2 14 48 A E H <4 S+ 0 0 94 -3,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.739 86.9 73.8 -74.2 -20.2 26.6 10.3 28.9 15 49 A A H << S+ 0 0 2 -3,-1.2 47,-0.2 -4,-0.8 -1,-0.2 0.915 70.4 159.2 -59.2 -42.9 30.1 8.7 29.2 16 50 A G < + 0 0 18 -4,-0.6 2,-0.3 -3,-0.4 -1,-0.1 -0.145 57.5 12.0 55.1-149.8 30.6 10.3 32.6 17 51 A F S S- 0 0 34 43,-0.4 45,-2.7 303,-0.1 46,-1.9 -0.409 85.3-169.3 -59.9 115.5 33.3 8.7 34.9 18 52 A T E -b 63 0B 3 298,-2.6 2,-0.6 -2,-0.3 246,-0.3 -0.943 28.6-150.5-123.8 136.5 35.2 6.3 32.5 19 53 A L E -b 64 0B 0 44,-2.3 46,-2.2 -2,-0.4 3,-0.2 -0.889 18.2-164.0 -95.4 115.5 37.8 3.6 33.0 20 54 A T E S+ 0 0 7 244,-0.9 2,-0.3 -2,-0.6 245,-0.1 0.477 70.8 38.9 -86.9 -2.7 39.8 3.7 29.8 21 55 A H E S+ 0 0 3 243,-0.1 246,-2.1 45,-0.1 245,-0.4 -0.764 78.6 119.0-149.2 96.6 41.7 0.3 29.8 22 56 A E E -b 66 0B 0 43,-2.1 45,-2.1 -2,-0.3 2,-0.3 -0.868 39.8-145.6-146.0 176.6 39.7 -2.7 31.1 23 57 A H - 0 0 11 245,-1.4 3,-0.2 -2,-0.3 247,-0.1 -0.993 17.3-153.9-149.4 145.4 38.5 -6.1 29.9 24 58 A I S S+ 0 0 0 1,-0.4 246,-2.7 -2,-0.3 247,-0.7 0.895 95.6 1.1 -81.6 -43.6 35.5 -8.3 30.5 25 59 A C E -d 271 0C 11 244,-0.2 2,-0.8 245,-0.2 -1,-0.4 -0.978 61.9-147.6-146.8 131.6 37.7 -11.3 29.7 26 60 A G E +d 272 0C 3 245,-2.7 247,-2.7 -2,-0.4 248,-1.1 -0.878 55.0 116.7 -97.2 102.6 41.4 -11.6 28.7 27 61 A S - 0 0 1 45,-2.7 2,-0.3 -2,-0.8 46,-0.2 -0.350 59.6 -83.0-139.1-143.3 41.4 -14.6 26.3 28 62 A S >> - 0 0 0 45,-0.2 3,-2.0 44,-0.1 4,-0.6 -0.960 55.4 -73.7-138.5 154.9 42.1 -15.7 22.7 29 63 A A T 34 S- 0 0 11 42,-0.3 333,-0.1 -2,-0.3 334,-0.1 -0.271 117.6 -1.8 -52.5 131.1 40.1 -15.7 19.5 30 64 A G T 3> S+ 0 0 31 44,-0.2 4,-2.0 40,-0.1 -1,-0.3 0.219 102.3 112.8 70.6 -8.6 37.4 -18.4 19.6 31 65 A F H <> S+ 0 0 0 -3,-2.0 4,-2.8 2,-0.2 -2,-0.1 0.934 71.0 50.0 -60.7 -51.5 38.5 -19.6 23.0 32 66 A L H < S+ 0 0 6 -4,-0.6 -1,-0.2 1,-0.2 7,-0.1 0.904 115.7 45.6 -57.2 -37.2 35.5 -18.6 25.1 33 67 A R H 4 S+ 0 0 93 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.821 116.4 43.5 -77.0 -29.1 33.3 -20.2 22.6 34 68 A A H < S+ 0 0 0 -4,-2.0 424,-0.4 1,-0.2 -2,-0.2 0.771 131.8 17.8 -87.1 -24.7 35.3 -23.4 22.3 35 69 A W >< + 0 0 18 -4,-2.8 3,-2.0 -5,-0.2 4,-0.3 -0.375 63.5 156.2-144.4 60.3 36.0 -24.0 25.9 36 70 A P G > S+ 0 0 18 0, 0.0 3,-1.8 0, 0.0 9,-0.1 0.782 70.5 71.5 -57.7 -28.2 33.7 -22.0 28.1 37 71 A E G > S+ 0 0 93 1,-0.3 3,-2.3 2,-0.2 -5,-0.1 0.679 77.0 77.5 -64.0 -18.8 34.3 -24.5 31.0 38 72 A F G < S+ 0 0 44 -3,-2.0 -1,-0.3 1,-0.3 3,-0.1 0.841 103.3 39.1 -60.0 -26.0 37.7 -23.1 31.4 39 73 A F G < S- 0 0 31 -3,-1.8 2,-1.7 -4,-0.3 -1,-0.3 0.120 126.2-101.4-108.2 22.5 35.9 -20.3 33.1 40 74 A G S < S- 0 0 53 -3,-2.3 2,-0.3 4,-0.1 3,-0.1 -0.529 89.6 -27.3 92.4 -68.3 33.4 -22.5 34.9 41 75 A S > - 0 0 45 -2,-1.7 4,-2.2 1,-0.1 5,-0.2 -0.962 58.8-106.8-169.3 161.2 30.8 -21.6 32.3 42 76 A R H > S+ 0 0 66 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.924 123.3 51.0 -63.0 -39.8 29.9 -18.8 30.0 43 77 A K H > S+ 0 0 147 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.907 108.1 50.3 -62.9 -41.5 27.0 -18.1 32.3 44 78 A A H > S+ 0 0 39 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.909 111.4 49.0 -63.9 -39.4 29.3 -18.0 35.4 45 79 A L H X S+ 0 0 5 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.936 111.2 49.5 -65.2 -44.0 31.6 -15.6 33.7 46 80 A A H X S+ 0 0 5 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.922 111.8 48.4 -60.4 -43.3 28.8 -13.4 32.6 47 81 A E H X S+ 0 0 86 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.893 111.2 50.5 -64.6 -40.1 27.4 -13.3 36.2 48 82 A K H X S+ 0 0 52 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.923 112.0 47.3 -62.7 -43.6 30.8 -12.6 37.6 49 83 A A H X S+ 0 0 0 -4,-2.5 4,-3.2 2,-0.2 5,-0.2 0.907 110.5 52.3 -64.9 -41.5 31.2 -9.7 35.2 50 84 A V H X S+ 0 0 28 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.939 110.1 48.6 -62.4 -44.8 27.7 -8.4 36.0 51 85 A R H X S+ 0 0 112 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.957 114.8 45.1 -58.7 -47.2 28.5 -8.4 39.7 52 86 A G H X S+ 0 0 14 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.929 113.6 47.9 -63.9 -46.0 31.8 -6.6 39.2 53 87 A L H X S+ 0 0 0 -4,-3.2 4,-2.7 2,-0.2 -1,-0.2 0.901 110.9 52.0 -62.8 -38.2 30.3 -4.1 36.8 54 88 A R H X S+ 0 0 162 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.884 111.1 48.3 -64.0 -37.4 27.4 -3.4 39.2 55 89 A R H X S+ 0 0 162 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.2 0.892 112.3 47.4 -69.6 -39.2 29.9 -2.8 42.0 56 90 A A H <>S+ 0 0 2 -4,-2.3 5,-2.7 1,-0.2 -2,-0.2 0.904 111.7 51.7 -67.5 -39.0 32.0 -0.5 39.9 57 91 A R H ><5S+ 0 0 111 -4,-2.7 3,-1.9 1,-0.2 -2,-0.2 0.908 105.5 54.1 -63.1 -41.1 28.8 1.3 38.9 58 92 A A H 3<5S+ 0 0 88 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.874 106.6 54.8 -60.4 -33.3 27.8 1.7 42.5 59 93 A A T 3<5S- 0 0 30 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.385 132.3 -92.1 -80.6 1.1 31.3 3.3 43.0 60 94 A G T < 5S+ 0 0 22 -3,-1.9 2,-0.4 1,-0.3 -43,-0.4 0.414 76.7 142.8 106.0 -2.8 30.5 5.8 40.2 61 95 A V < + 0 0 0 -5,-2.7 -1,-0.3 1,-0.2 -43,-0.2 -0.596 16.8 172.3 -75.0 126.2 31.9 4.2 37.1 62 96 A R + 0 0 147 -45,-2.7 27,-2.5 -2,-0.4 2,-0.3 0.711 63.3 16.5-103.4 -29.9 29.6 5.0 34.2 63 97 A T E -bc 18 89B 1 -46,-1.9 -44,-2.3 25,-0.2 2,-0.3 -0.995 57.4-165.0-144.5 149.2 31.6 3.6 31.2 64 98 A I E -bc 19 90B 0 25,-2.4 27,-2.3 -2,-0.3 2,-0.6 -0.954 18.9-136.4-130.4 151.4 34.5 1.2 30.7 65 99 A V E - c 0 91B 0 -46,-2.2 -43,-2.1 -2,-0.3 2,-1.0 -0.957 15.0-152.1-109.8 112.6 36.5 0.8 27.6 66 100 A D E -b 22 0B 1 25,-2.6 27,-0.5 -2,-0.6 -43,-0.2 -0.793 9.3-170.0 -89.0 103.7 37.1 -2.9 26.9 67 101 A V + 0 0 0 -45,-2.1 2,-0.5 -2,-1.0 -44,-0.1 0.056 37.7 133.6 -84.6 24.3 40.4 -2.9 25.1 68 102 A S - 0 0 1 -46,-0.2 25,-0.6 4,-0.1 2,-0.1 -0.663 39.3-162.6 -77.0 122.3 40.1 -6.6 24.1 69 103 A T > > - 0 0 0 -2,-0.5 5,-2.1 23,-0.1 3,-1.3 -0.353 41.3 -83.0 -93.0-177.8 40.9 -7.0 20.4 70 104 A F G > 5S+ 0 0 9 25,-0.7 3,-1.4 1,-0.3 26,-0.1 0.927 132.9 48.5 -50.3 -50.6 40.2 -9.9 18.1 71 105 A D G 3 5S+ 0 0 2 24,-0.3 -42,-0.3 1,-0.3 -1,-0.3 0.575 101.3 61.6 -72.8 -10.2 43.3 -11.7 19.5 72 106 A I G < 5S- 0 0 4 -3,-1.3 -45,-2.7 -44,-0.2 -1,-0.3 0.329 121.4-110.4 -90.7 2.1 42.4 -11.0 23.2 73 107 A G T < 5 - 0 0 10 -3,-1.4 -45,-0.2 -4,-0.3 -41,-0.2 0.788 46.3-170.1 76.0 23.9 39.3 -13.2 22.3 74 108 A R < - 0 0 14 -5,-2.1 2,-0.6 -47,-0.1 -44,-0.2 -0.198 8.2-164.5 -49.0 129.3 36.9 -10.2 22.6 75 109 A D >> - 0 0 11 1,-0.1 4,-2.1 -50,-0.1 3,-0.7 -0.868 4.0-171.1-122.0 92.0 33.3 -11.6 22.4 76 110 A V H 3> S+ 0 0 0 -2,-0.6 4,-3.1 1,-0.3 5,-0.2 0.824 83.9 60.1 -56.2 -32.2 31.2 -8.6 21.7 77 111 A S H 3> S+ 0 0 40 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.927 106.8 47.3 -61.8 -41.2 28.0 -10.5 22.3 78 112 A L H <> S+ 0 0 2 -3,-0.7 4,-2.9 2,-0.2 5,-0.3 0.931 111.3 51.4 -63.2 -45.2 29.2 -11.1 25.9 79 113 A L H X S+ 0 0 4 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.948 111.4 47.4 -56.9 -49.2 30.1 -7.4 26.2 80 114 A A H X S+ 0 0 13 -4,-3.1 4,-2.4 1,-0.2 5,-0.2 0.932 111.8 50.5 -59.9 -44.2 26.6 -6.4 25.1 81 115 A E H X S+ 0 0 103 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.940 115.1 40.9 -60.5 -47.8 24.9 -8.8 27.4 82 116 A V H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 5,-0.3 0.869 111.7 56.7 -72.0 -31.7 26.8 -7.7 30.5 83 117 A S H X>S+ 0 0 0 -4,-2.7 4,-1.7 -5,-0.3 5,-1.5 0.949 112.3 42.2 -61.1 -47.4 26.6 -4.0 29.5 84 118 A R H <5S+ 0 0 151 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.922 115.4 48.9 -65.5 -45.1 22.8 -4.3 29.4 85 119 A A H <5S+ 0 0 64 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.905 122.3 32.8 -65.6 -39.3 22.5 -6.5 32.6 86 120 A A H <5S- 0 0 4 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.639 102.1-129.5 -90.6 -14.5 24.7 -4.2 34.7 87 121 A D T <5 + 0 0 75 -4,-1.7 2,-0.4 -5,-0.3 -3,-0.2 0.950 61.0 134.6 62.0 53.8 23.7 -0.9 33.0 88 122 A V < - 0 0 3 -5,-1.5 -1,-0.2 -6,-0.2 -25,-0.2 -0.999 59.2-116.9-129.4 132.8 27.3 0.2 32.4 89 123 A H E -c 63 0B 28 -27,-2.5 -25,-2.4 -2,-0.4 2,-0.4 -0.514 30.5-164.8 -70.7 138.7 28.4 1.6 29.0 90 124 A I E -c 64 0B 0 -27,-0.2 -84,-2.7 -2,-0.2 2,-0.5 -0.987 8.7-154.8-128.9 123.2 31.1 -0.5 27.3 91 125 A V E -c 65 0B 0 -27,-2.3 -25,-2.6 -2,-0.4 2,-0.2 -0.836 18.1-146.8 -95.9 126.1 33.2 0.8 24.4 92 126 A A - 0 0 0 -2,-0.5 40,-3.1 38,-0.4 41,-0.8 -0.578 11.1-140.8 -91.9 158.4 34.5 -2.1 22.2 93 127 A A E -e 133 0D 0 -25,-0.6 41,-0.2 -27,-0.5 2,-0.2 -0.808 14.0-165.4-120.9 161.2 37.8 -2.1 20.5 94 128 A T E +e 134 0D 0 39,-2.2 41,-3.2 -2,-0.3 2,-0.2 -0.504 47.7 83.3-119.4-169.0 39.4 -3.2 17.2 95 129 A G E S-e 135 0D 0 39,-0.3 -25,-0.7 -2,-0.2 2,-0.3 -0.616 74.1 -84.0 105.8-168.0 43.1 -3.5 16.5 96 130 A L - 0 0 1 39,-1.4 41,-0.4 -2,-0.2 57,-0.1 -0.990 29.8-160.1-145.1 137.0 45.5 -6.4 17.3 97 131 A W - 0 0 31 -2,-0.3 40,-0.2 39,-0.2 -29,-0.0 0.115 50.6 -70.5 -94.0-153.1 47.4 -7.3 20.4 98 132 A F S S+ 0 0 63 1,-0.2 48,-0.0 38,-0.1 41,-0.0 0.261 117.3 64.7 -96.1 18.1 50.4 -9.5 20.6 99 133 A D + 0 0 12 335,-0.0 -1,-0.2 2,-0.0 336,-0.1 -0.187 62.4 159.8-128.3 44.1 49.0 -12.8 19.9 100 134 A P - 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