==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-NOV-11 3URA . COMPND 2 MOLECULE: PARATHION HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BREVUNDIMONAS DIMINUTA; . AUTHOR P.TSAI,N.G.FOX,Y.LI,D.P.BARONDEAU,F.M.RAUSHEL . 649 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22899.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 449 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 9.6 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 . 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 . 30 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 212 32.7 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 7 0 2 5 4 1 1 3 1 3 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 . 1 1 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 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 0 118 0, 0.0 11,-2.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -27.0 -33.4 -21.8 52.8 2 36 A R E -A 11 0A 139 9,-0.2 2,-0.3 324,-0.1 9,-0.2 -0.982 360.0-173.8-120.4 126.1 -33.1 -23.8 49.5 3 37 A I E -A 10 0A 6 7,-2.3 7,-2.1 -2,-0.4 2,-0.3 -0.922 25.2-114.4-120.9 150.2 -30.6 -22.8 46.8 4 38 A N E +A 9 0A 39 -2,-0.3 2,-0.3 5,-0.2 88,-0.2 -0.640 35.5 172.9 -83.8 130.3 -30.0 -24.1 43.3 5 39 A T E > -A 8 0A 3 3,-1.0 3,-1.4 -2,-0.3 125,-0.4 -0.782 49.9 -97.8-123.9 172.8 -26.6 -25.8 42.5 6 40 A V T 3 S+ 0 0 2 84,-2.5 85,-0.1 -2,-0.3 74,-0.1 0.589 126.7 49.2 -69.9 -10.1 -25.5 -27.6 39.3 7 41 A R T 3 S- 0 0 69 1,-0.5 -1,-0.3 83,-0.2 84,-0.1 0.379 126.6 -91.6-104.6 -1.8 -26.4 -30.9 41.0 8 42 A G E < -A 5 0A 27 -3,-1.4 -3,-1.0 122,-0.1 -1,-0.5 -0.683 69.2 -19.9 119.6-174.9 -29.8 -29.6 42.0 9 43 A P E -A 4 0A 72 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.413 57.1-177.4 -70.9 138.7 -31.4 -27.9 45.1 10 44 A I E -A 3 0A 25 -7,-2.1 -7,-2.3 -2,-0.1 2,-0.2 -0.947 32.2-103.8-131.4 154.6 -29.6 -28.1 48.5 11 45 A T E > -A 2 0A 41 -2,-0.3 3,-1.8 -9,-0.2 4,-0.3 -0.584 33.5-120.1 -77.3 142.3 -30.5 -26.8 52.0 12 46 A I G > S+ 0 0 25 -11,-2.9 3,-1.1 1,-0.3 4,-0.5 0.723 109.1 64.9 -56.2 -25.8 -28.5 -23.7 53.0 13 47 A S G 3 S+ 0 0 94 1,-0.2 3,-0.3 -12,-0.2 -1,-0.3 0.744 96.8 58.2 -69.9 -23.2 -26.9 -25.4 56.0 14 48 A E G < S+ 0 0 121 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.558 86.7 79.2 -83.6 -9.8 -25.1 -27.8 53.7 15 49 A A < + 0 0 2 -3,-1.1 47,-0.2 -4,-0.3 -1,-0.2 0.890 67.0 160.3 -65.2 -43.7 -23.4 -24.9 51.9 16 50 A G + 0 0 21 -4,-0.5 2,-0.5 -3,-0.3 -1,-0.1 -0.219 54.8 17.5 59.2-143.2 -20.7 -24.4 54.6 17 51 A F S S- 0 0 32 43,-0.4 45,-2.8 303,-0.1 46,-2.1 -0.507 83.5-168.5 -63.7 115.0 -17.5 -22.5 53.7 18 52 A T E -b 63 0B 3 298,-2.8 2,-0.8 -2,-0.5 246,-0.3 -0.950 25.7-152.0-121.6 127.2 -18.4 -20.7 50.5 19 53 A L E -b 64 0B 0 44,-2.5 46,-2.4 -2,-0.5 3,-0.2 -0.849 17.3-160.5 -93.5 111.7 -16.2 -18.9 48.0 20 54 A T E S+ 0 0 7 244,-1.0 2,-0.3 -2,-0.8 245,-0.1 0.508 71.5 35.5 -74.9 -10.4 -18.6 -16.3 46.5 21 55 A H E S+ 0 0 1 243,-0.1 246,-1.8 45,-0.1 245,-0.4 -0.770 76.9 128.7-150.0 95.9 -16.9 -15.3 43.2 22 56 A E E -b 66 0B 0 43,-2.4 45,-2.3 -2,-0.3 2,-0.3 -0.828 35.9-148.4-139.7 171.6 -15.0 -18.0 41.3 23 57 A H - 0 0 11 245,-1.4 3,-0.2 -2,-0.3 43,-0.0 -0.985 14.5-159.7-142.6 145.9 -14.8 -19.5 37.8 24 58 A I S S+ 0 0 0 1,-0.4 246,-1.9 -2,-0.3 247,-0.4 0.798 95.0 8.5 -88.3 -38.2 -14.1 -23.0 36.5 25 59 A C - 0 0 7 245,-0.2 2,-0.8 244,-0.2 -1,-0.4 -0.999 62.4-153.1-145.4 131.6 -13.2 -21.4 33.2 26 60 A G B +d 272 0C 7 245,-3.4 247,-2.8 -2,-0.3 248,-1.2 -0.874 56.6 112.1-103.5 95.4 -12.8 -17.7 32.2 27 61 A T - 0 0 0 45,-2.4 2,-0.3 -2,-0.8 46,-0.2 -0.264 61.0 -83.4-137.4-141.3 -13.7 -17.9 28.5 28 62 A S >> - 0 0 1 45,-0.2 3,-2.0 44,-0.1 4,-0.6 -0.956 54.3 -69.4-142.6 156.2 -16.3 -16.8 25.8 29 63 A A T 34 S- 0 0 8 -2,-0.3 328,-0.1 42,-0.3 327,-0.1 -0.231 117.4 -5.0 -50.8 120.9 -19.7 -18.1 24.6 30 64 A G T 3> S+ 0 0 26 44,-0.2 4,-2.0 326,-0.1 -1,-0.3 0.296 101.6 114.2 77.0 -7.0 -19.2 -21.3 22.6 31 65 A F H <> S+ 0 0 0 -3,-2.0 4,-2.6 2,-0.2 -2,-0.1 0.881 70.9 51.6 -61.9 -47.4 -15.4 -21.1 22.8 32 66 A L H < S+ 0 0 5 -4,-0.6 -1,-0.2 1,-0.2 7,-0.1 0.916 115.2 42.6 -59.3 -42.4 -14.8 -24.2 24.9 33 67 A R H 4 S+ 0 0 85 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.860 119.1 44.1 -72.4 -36.0 -16.9 -26.4 22.6 34 68 A A H < S+ 0 0 0 -4,-2.0 418,-0.4 1,-0.2 -2,-0.2 0.772 131.5 17.1 -81.0 -28.2 -15.4 -24.9 19.4 35 69 A W >< + 0 0 10 -4,-2.6 3,-1.3 -5,-0.2 4,-0.3 -0.459 62.1 154.2-145.7 69.5 -11.8 -24.9 20.5 36 70 A P G > + 0 0 16 0, 0.0 3,-1.6 0, 0.0 9,-0.1 0.770 68.8 76.5 -69.8 -19.3 -11.0 -27.2 23.5 37 71 A E G > S+ 0 0 76 1,-0.3 3,-1.3 2,-0.2 -5,-0.1 0.645 78.1 72.7 -64.1 -17.8 -7.4 -27.5 22.3 38 72 A F G < S+ 0 0 41 -3,-1.3 -1,-0.3 1,-0.3 -6,-0.1 0.848 104.2 39.8 -65.0 -33.3 -6.7 -24.0 23.7 39 73 A F G < S- 0 0 29 -3,-1.6 2,-1.1 -4,-0.3 -1,-0.3 0.137 127.5-100.6-100.6 17.6 -6.9 -25.5 27.2 40 74 A G S < S- 0 0 53 -3,-1.3 2,-0.3 4,-0.1 3,-0.1 -0.579 88.6 -29.6 97.1 -65.7 -5.0 -28.7 26.0 41 75 A S > - 0 0 46 -2,-1.1 4,-1.9 -5,-0.1 5,-0.1 -0.925 62.7-102.2-169.9 165.0 -8.3 -30.6 25.8 42 76 A R H > S+ 0 0 64 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.925 124.7 53.1 -63.9 -39.6 -11.7 -30.6 27.4 43 77 A K H > S+ 0 0 152 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.871 106.3 51.7 -62.9 -40.2 -10.5 -33.6 29.5 44 78 A A H > S+ 0 0 36 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.908 110.3 48.7 -65.4 -40.1 -7.3 -31.8 30.6 45 79 A L H X S+ 0 0 5 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.907 111.8 49.2 -65.1 -43.2 -9.4 -28.8 31.9 46 80 A V H X S+ 0 0 15 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.943 111.9 48.7 -61.1 -48.6 -11.8 -31.1 33.7 47 81 A E H X S+ 0 0 91 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.913 113.4 46.6 -59.6 -42.7 -8.9 -33.0 35.4 48 82 A K H X S+ 0 0 55 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.912 113.8 48.9 -66.0 -43.1 -7.2 -29.7 36.4 49 83 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.903 111.6 48.3 -63.0 -42.9 -10.5 -28.3 37.7 50 84 A V H X S+ 0 0 13 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.926 112.2 49.3 -65.7 -45.2 -11.3 -31.5 39.7 51 85 A R H X S+ 0 0 115 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.933 113.4 47.5 -60.4 -43.8 -7.8 -31.5 41.3 52 86 A G H X S+ 0 0 16 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.904 114.1 44.8 -65.1 -45.0 -8.1 -27.9 42.2 53 87 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.846 111.7 53.4 -69.2 -33.4 -11.5 -28.2 43.8 54 88 A R H X S+ 0 0 139 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.892 110.9 47.0 -66.8 -38.1 -10.5 -31.4 45.6 55 89 A R H X S+ 0 0 155 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.880 111.8 50.5 -69.6 -38.1 -7.5 -29.5 47.1 56 90 A A H <>S+ 0 0 0 -4,-2.1 5,-2.4 1,-0.2 4,-0.4 0.888 109.9 51.2 -66.9 -35.9 -9.8 -26.6 48.0 57 91 A R H ><5S+ 0 0 82 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.874 105.8 54.1 -67.8 -38.7 -12.2 -29.1 49.7 58 92 A A H 3<5S+ 0 0 93 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.761 107.3 53.1 -65.9 -26.6 -9.3 -30.6 51.7 59 93 A A T 3<5S- 0 0 27 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.527 133.7 -88.4 -85.8 -10.8 -8.6 -27.0 52.9 60 94 A G T < 5S+ 0 0 25 -3,-1.1 -43,-0.4 -4,-0.4 -3,-0.2 0.280 79.2 137.9 123.5 -12.8 -12.2 -26.5 54.1 61 95 A V < + 0 0 0 -5,-2.4 -1,-0.3 1,-0.1 -43,-0.2 -0.403 16.2 168.6 -67.9 136.0 -14.1 -25.2 51.0 62 96 A R + 0 0 89 -45,-2.8 27,-2.2 1,-0.4 2,-0.3 0.582 64.5 24.1-118.7 -23.8 -17.6 -26.8 50.6 63 97 A T E -bc 18 89B 0 -46,-2.1 -44,-2.5 25,-0.2 -1,-0.4 -0.993 54.6-170.2-146.3 143.9 -19.1 -24.5 48.0 64 98 A I E -bc 19 90B 0 25,-2.3 27,-2.1 -2,-0.3 2,-0.7 -0.973 19.7-138.9-129.5 147.5 -18.1 -22.1 45.2 65 99 A V E - c 0 91B 0 -46,-2.4 -43,-2.4 -2,-0.3 2,-1.0 -0.947 14.9-150.7-107.6 107.9 -20.2 -19.7 43.3 66 100 A D E -b 22 0B 0 25,-2.3 27,-0.3 -2,-0.7 -43,-0.2 -0.753 10.7-170.7 -80.4 107.6 -19.2 -19.8 39.7 67 101 A V + 0 0 0 -45,-2.3 2,-0.4 -2,-1.0 -1,-0.1 0.147 36.5 135.2 -88.9 21.2 -20.1 -16.3 38.5 68 102 A S - 0 0 1 -46,-0.3 25,-0.6 4,-0.1 2,-0.1 -0.592 38.5-161.9 -73.6 119.7 -19.4 -17.1 34.9 69 103 A T > > - 0 0 0 -2,-0.4 5,-1.9 23,-0.1 3,-1.5 -0.360 39.8 -82.9 -90.5 179.2 -22.3 -15.7 32.8 70 104 A F G > 5S+ 0 0 6 25,-0.8 3,-1.2 1,-0.3 26,-0.1 0.893 131.6 46.5 -48.0 -49.9 -23.3 -16.6 29.2 71 105 A D G 3 5S+ 0 0 1 1,-0.3 -42,-0.3 24,-0.2 -1,-0.3 0.495 102.3 61.5 -77.9 -7.3 -20.6 -14.3 27.8 72 106 A I G < 5S- 0 0 3 -3,-1.5 -45,-2.4 -44,-0.2 -1,-0.3 0.298 123.7-107.2 -93.6 3.8 -17.8 -15.5 30.1 73 107 A G T < 5 - 0 0 9 -3,-1.2 -45,-0.2 -4,-0.2 -3,-0.2 0.789 45.9-167.9 75.7 30.6 -18.5 -18.8 28.3 74 108 A R < - 0 0 12 -5,-1.9 2,-0.5 -47,-0.1 -44,-0.2 -0.251 8.1-171.8 -52.7 122.6 -20.3 -20.6 31.1 75 109 A D >> - 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