==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-DEC-06 2O4M . COMPND 2 MOLECULE: PARATHION HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BREVUNDIMONAS DIMINUTA; . AUTHOR J.KIM,U.A.RAMAGOPAL,P.TSAI,F.M.RAUSHEL,S.C.ALMO . 1323 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45989.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 952 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 126 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 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 . 4 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 . 65 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 158 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 453 34.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 58 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 16 0 0 12 8 0 4 8 0 8 0 0 0 8 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 10 18 4 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 . 3 0 0 4 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 . 8 4 0 0 4 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 34 A G 0 0 77 0, 0.0 3,-0.1 0, 0.0 325,-0.1 0.000 360.0 360.0 360.0 158.0 -16.1 -1.2 29.3 2 35 A D + 0 0 86 1,-0.4 11,-0.8 9,-0.1 2,-0.4 0.300 360.0 51.9-151.3 -13.2 -19.0 -3.6 28.8 3 36 A R E -A 12 0A 112 9,-0.2 2,-0.5 324,-0.1 -1,-0.4 -1.000 61.4-150.6-131.9 142.9 -19.0 -4.4 25.1 4 37 A I E -A 11 0A 3 7,-3.2 7,-2.7 -2,-0.4 2,-0.4 -0.916 26.7-126.4-105.0 127.1 -16.3 -5.6 22.7 5 38 A N E +A 10 0A 44 -2,-0.5 88,-0.2 5,-0.2 2,-0.2 -0.639 32.8 176.8 -78.0 131.7 -16.6 -4.4 19.2 6 39 A T E > -A 9 0A 4 3,-2.1 3,-1.9 -2,-0.4 125,-0.4 -0.743 49.0 -96.6-121.7 172.0 -16.6 -7.1 16.5 7 40 A V T 3 S+ 0 0 2 84,-2.5 85,-0.1 1,-0.3 74,-0.1 0.526 129.2 47.8 -63.1 -18.3 -17.1 -7.1 12.7 8 41 A R T 3 S- 0 0 67 1,-0.5 -1,-0.3 83,-0.2 84,-0.1 0.258 126.3 -94.6 -99.5 4.4 -20.8 -8.0 13.4 9 42 A G E < S-A 6 0A 15 -3,-1.9 -3,-2.1 122,-0.1 -1,-0.5 -0.746 70.6 -11.6 111.6-169.3 -21.2 -5.3 16.1 10 43 A P E -A 5 0A 82 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.477 52.9-171.0 -73.8 135.8 -20.9 -5.2 19.9 11 44 A I E -A 4 0A 17 -7,-2.7 -7,-3.2 -2,-0.2 -9,-0.1 -0.933 26.5-111.3-114.0 155.8 -20.6 -8.3 22.0 12 45 A T E >> -A 3 0A 49 -2,-0.3 4,-0.7 -9,-0.2 3,-0.5 -0.365 31.7-111.6 -78.0 157.8 -20.8 -8.6 25.8 13 46 A I H >> S+ 0 0 38 -11,-0.8 3,-1.3 1,-0.2 4,-0.5 0.948 119.3 52.4 -59.8 -41.5 -17.7 -9.5 27.6 14 47 A S H >4 S+ 0 0 111 1,-0.2 3,-0.6 2,-0.1 -1,-0.2 0.824 100.8 63.9 -62.0 -24.5 -19.1 -12.9 28.6 15 48 A E H <4 S+ 0 0 100 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.710 85.3 74.0 -73.4 -16.6 -20.0 -13.6 24.9 16 49 A A H << S+ 0 0 1 -3,-1.3 -1,-0.2 -4,-0.7 47,-0.2 0.913 70.7 162.6 -68.7 -38.1 -16.3 -13.6 23.8 17 50 A G << + 0 0 19 -3,-0.6 2,-0.3 -4,-0.5 -1,-0.1 -0.175 56.8 11.5 54.5-152.6 -15.6 -17.0 25.4 18 51 A F S S- 0 0 34 43,-0.3 45,-2.4 303,-0.1 46,-1.7 -0.446 85.2-169.8 -59.6 123.5 -12.6 -19.0 24.3 19 52 A T E -b 64 0B 2 298,-2.6 2,-0.6 -2,-0.3 246,-0.3 -0.954 27.2-149.8-131.9 129.6 -10.6 -16.3 22.3 20 53 A L E -b 65 0B 0 44,-2.5 46,-2.2 -2,-0.4 3,-0.2 -0.881 17.6-163.4 -95.1 122.7 -7.5 -16.5 20.1 21 54 A T E S+ 0 0 5 244,-1.0 2,-0.3 -2,-0.6 245,-0.1 0.477 70.6 39.8 -98.8 1.3 -5.9 -13.1 20.5 22 55 A H E S+ 0 0 1 243,-0.2 246,-1.7 198,-0.1 247,-0.3 -0.791 77.7 123.9-153.1 91.5 -3.5 -12.9 17.5 23 56 A E E -b 67 0B 0 43,-2.3 45,-2.4 -2,-0.3 2,-0.3 -0.901 38.2-144.7-136.3 172.6 -4.7 -14.3 14.2 24 57 A H - 0 0 12 245,-1.8 247,-0.2 -2,-0.3 3,-0.2 -0.975 16.0-162.6-141.3 141.7 -5.3 -13.3 10.6 25 58 A I S S- 0 0 0 -2,-0.3 246,-2.1 1,-0.3 247,-0.8 0.942 94.1 -1.6 -71.5 -50.1 -7.8 -14.0 8.0 26 59 A C E -d 272 0C 7 245,-0.2 2,-0.9 244,-0.2 -1,-0.3 -0.958 61.9-150.7-149.3 116.3 -5.4 -12.8 5.3 27 60 A G E +d 273 0C 6 245,-2.5 247,-2.5 -2,-0.4 248,-1.2 -0.847 53.3 121.1 -86.8 105.0 -1.9 -11.3 5.8 28 61 A S - 0 0 0 45,-2.5 2,-0.3 -2,-0.9 47,-0.2 -0.407 60.1 -85.8-141.3-153.3 -1.6 -9.0 2.8 29 62 A S >> - 0 0 1 45,-0.2 3,-2.0 44,-0.2 4,-0.5 -0.939 57.1 -74.6-126.9 162.2 -1.1 -5.3 1.9 30 63 A A T 34 S+ 0 0 13 42,-0.3 331,-0.1 -2,-0.3 333,-0.1 -0.258 117.0 0.5 -56.6 130.6 -3.6 -2.5 1.6 31 64 A G T 3> S+ 0 0 27 44,-0.2 4,-2.2 331,-0.1 -1,-0.3 0.316 99.8 112.5 85.4 -14.4 -5.7 -2.9 -1.6 32 65 A F H <> S+ 0 0 0 -3,-2.0 4,-2.8 2,-0.2 -2,-0.1 0.934 74.1 48.4 -70.9 -50.1 -4.0 -6.1 -2.7 33 66 A L H < S+ 0 0 5 -4,-0.5 -1,-0.2 1,-0.2 7,-0.1 0.900 116.5 46.3 -49.0 -44.2 -6.9 -8.6 -2.2 34 67 A R H 4 S+ 0 0 97 1,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.874 119.2 39.9 -67.6 -35.0 -9.2 -6.1 -4.2 35 68 A A H < S+ 0 0 0 -4,-2.2 422,-0.4 1,-0.2 -2,-0.2 0.811 132.8 16.1 -86.3 -28.9 -6.6 -5.5 -6.9 36 69 A W >< + 0 0 14 -4,-2.8 3,-1.5 -5,-0.2 4,-0.2 -0.439 62.6 154.9-148.5 56.3 -5.2 -9.1 -7.4 37 70 A P G > + 0 0 17 0, 0.0 3,-2.1 0, 0.0 9,-0.1 0.740 69.3 73.7 -62.1 -23.0 -7.5 -11.7 -5.8 38 71 A E G > S+ 0 0 76 1,-0.3 3,-2.1 2,-0.2 -5,-0.1 0.747 78.8 74.4 -68.7 -18.6 -6.1 -14.4 -8.3 39 72 A F G < S+ 0 0 45 -3,-1.5 -1,-0.3 1,-0.3 3,-0.1 0.829 103.7 39.4 -55.6 -30.2 -3.0 -14.3 -6.2 40 73 A F G < S- 0 0 31 -3,-2.1 2,-1.5 -4,-0.2 -1,-0.3 0.089 126.8-102.0-103.2 20.6 -5.1 -16.3 -3.7 41 74 A G S < S- 0 0 55 -3,-2.1 2,-0.3 4,-0.1 3,-0.1 -0.580 89.3 -30.5 83.9 -68.3 -6.8 -18.3 -6.5 42 75 A S > - 0 0 45 -2,-1.5 4,-2.2 1,-0.1 5,-0.2 -0.945 59.1-104.6-164.0 168.8 -9.8 -16.1 -6.1 43 76 A R H > S+ 0 0 39 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.876 123.0 53.3 -60.2 -47.2 -11.6 -14.0 -3.4 44 77 A K H > S+ 0 0 151 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.912 109.2 48.1 -52.4 -42.3 -14.3 -16.8 -3.3 45 78 A A H > S+ 0 0 37 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.896 111.9 49.2 -69.0 -41.3 -11.6 -19.5 -2.8 46 79 A L H X S+ 0 0 6 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.955 112.4 47.9 -65.0 -43.2 -9.9 -17.5 -0.0 47 80 A A H X S+ 0 0 4 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.876 111.3 50.0 -63.1 -45.1 -13.2 -16.9 1.7 48 81 A E H X S+ 0 0 93 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.924 111.3 50.0 -63.8 -34.6 -14.3 -20.6 1.5 49 82 A K H X S+ 0 0 53 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.908 110.8 48.3 -70.3 -45.7 -10.9 -21.6 2.9 50 83 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.935 110.8 51.9 -59.0 -41.4 -11.3 -19.2 5.8 51 84 A V H X S+ 0 0 26 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.940 109.5 48.7 -67.8 -40.9 -14.8 -20.4 6.5 52 85 A R H X S+ 0 0 116 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.940 114.7 45.8 -56.9 -53.4 -13.6 -24.0 6.6 53 86 A G H X S+ 0 0 10 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.882 113.9 47.5 -56.2 -47.7 -10.8 -23.1 9.0 54 87 A L H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 -2,-0.2 0.931 110.3 52.6 -66.4 -41.8 -13.0 -21.0 11.2 55 88 A R H X S+ 0 0 145 -4,-3.0 4,-2.2 -5,-0.3 -2,-0.2 0.913 110.4 47.8 -61.0 -36.9 -15.6 -23.7 11.4 56 89 A R H X S+ 0 0 148 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.891 111.8 49.7 -71.7 -39.3 -13.1 -26.3 12.4 57 90 A A H <>S+ 0 0 1 -4,-2.3 5,-2.4 -5,-0.2 4,-0.2 0.940 109.9 52.2 -58.8 -41.2 -11.7 -23.9 15.1 58 91 A R H ><5S+ 0 0 110 -4,-3.0 3,-1.7 1,-0.2 -2,-0.2 0.892 105.3 54.5 -60.2 -43.3 -15.3 -23.4 16.2 59 92 A A H 3<5S+ 0 0 90 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.897 106.5 53.4 -60.3 -34.5 -15.7 -27.2 16.5 60 93 A A T 3<5S- 0 0 30 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.416 132.6 -91.7 -81.3 -2.0 -12.6 -27.2 18.8 61 94 A G T < 5S+ 0 0 22 -3,-1.7 -43,-0.3 1,-0.3 2,-0.3 0.354 75.8 144.8 108.5 -3.4 -14.1 -24.6 21.0 62 95 A V < + 0 0 0 -5,-2.4 -1,-0.3 1,-0.2 -43,-0.2 -0.509 14.1 169.5 -63.7 123.1 -12.9 -21.3 19.6 63 96 A R + 0 0 149 -45,-2.4 27,-2.4 1,-0.3 2,-0.3 0.665 63.4 20.2-102.5 -31.8 -15.6 -18.7 20.0 64 97 A T E -bc 19 90B 1 -46,-1.7 -44,-2.5 25,-0.2 2,-0.4 -0.997 57.4-168.4-142.4 139.1 -13.7 -15.5 19.1 65 98 A I E -bc 20 91B 0 25,-2.3 27,-2.3 -2,-0.3 2,-0.6 -0.972 18.4-138.0-124.0 153.8 -10.6 -14.5 17.2 66 99 A V E - c 0 92B 0 -46,-2.2 -43,-2.3 -2,-0.4 2,-0.9 -0.945 14.1-151.6-106.9 113.2 -8.8 -11.2 17.1 67 100 A D E -b 23 0B 1 25,-2.6 27,-0.4 -2,-0.6 -43,-0.2 -0.792 9.5-170.1 -86.9 106.9 -7.7 -10.5 13.5 68 101 A V + 0 0 1 -45,-2.4 2,-0.6 -2,-0.9 -44,-0.1 -0.084 39.3 130.4 -92.5 27.3 -4.6 -8.3 14.1 69 102 A S - 0 0 1 -46,-0.1 25,-0.6 5,-0.1 2,-0.1 -0.782 41.9-160.7 -77.0 123.9 -4.3 -7.3 10.4 70 103 A T > > - 0 0 0 -2,-0.6 5,-2.2 23,-0.1 3,-0.7 -0.458 37.8 -85.5 -93.5 176.9 -3.9 -3.6 10.1 71 104 A F G > 5S+ 0 0 5 25,-0.6 3,-1.2 1,-0.3 26,-0.1 0.909 132.6 42.6 -42.3 -57.4 -4.4 -1.2 7.1 72 105 A D G 3 5S+ 0 0 3 24,-0.3 -42,-0.3 1,-0.2 -1,-0.3 0.687 106.4 62.4 -70.9 -20.0 -0.9 -1.9 5.9 73 106 A G G < 5S- 0 0 6 -3,-0.7 -45,-2.5 -44,-0.2 -1,-0.2 0.153 122.9-100.0 -92.1 21.8 -1.2 -5.7 6.6 74 107 A G T < 5 + 0 0 9 -3,-1.2 -45,-0.2 1,-0.2 -3,-0.2 0.666 54.2 179.3 84.8 12.3 -4.0 -6.0 4.1 75 108 A R < - 0 0 11 -5,-2.2 2,-0.5 -47,-0.2 -1,-0.2 -0.349 9.3-173.0 -51.9 129.3 -7.0 -6.0 6.4 76 109 A D >> - 0 0 22 1,-0.1 4,-1.8 -50,-0.1 3,-0.8 -0.897 3.0-170.7-124.8 90.1 -10.2 -6.3 4.4 77 110 A V H 3> S+ 0 0 0 -2,-0.5 4,-2.3 1,-0.3 5,-0.2 0.820 82.5 60.3 -66.1 -25.2 -12.9 -5.8 7.0 78 111 A S H 3> S+ 0 0 52 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.900 105.9 47.9 -62.7 -41.9 -15.7 -6.8 4.5 79 112 A L H <> S+ 0 0 1 -3,-0.8 4,-2.8 1,-0.2 5,-0.3 0.919 110.9 52.4 -58.4 -46.7 -14.0 -10.2 4.1 80 113 A L H X S+ 0 0 3 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.887 110.8 46.2 -59.2 -44.4 -13.8 -10.4 7.9 81 114 A A H X S+ 0 0 13 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.909 112.6 51.5 -68.4 -40.4 -17.5 -9.7 8.3 82 115 A E H X S+ 0 0 97 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.962 115.1 39.3 -58.9 -54.4 -18.5 -12.2 5.6 83 116 A V H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.795 111.8 57.4 -72.4 -31.4 -16.5 -15.1 7.0 84 117 A S H X>S+ 0 0 0 -4,-2.1 4,-1.6 -5,-0.3 5,-1.4 0.946 112.0 43.3 -59.8 -42.9 -17.4 -14.3 10.6 85 118 A R H <5S+ 0 0 153 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.933 116.0 46.9 -69.0 -45.9 -21.1 -14.5 9.6 86 119 A A H <5S+ 0 0 64 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.868 122.3 34.8 -66.1 -37.7 -20.6 -17.7 7.5 87 120 A A H <5S- 0 0 2 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.572 101.1-130.3 -91.0 -17.3 -18.5 -19.5 10.1 88 121 A D T <5 + 0 0 84 -4,-1.6 2,-0.4 1,-0.2 -3,-0.2 0.971 62.5 133.1 62.4 45.6 -20.3 -18.1 13.2 89 122 A V < - 0 0 0 -5,-1.4 -1,-0.2 -6,-0.1 -25,-0.2 -0.994 59.8-121.1-122.2 132.0 -17.1 -17.1 14.9 90 123 A H E -c 64 0B 16 -27,-2.4 -25,-2.3 -2,-0.4 2,-0.4 -0.496 29.5-163.7 -71.9 140.4 -16.8 -13.6 16.4 91 124 A I E -c 65 0B 0 -27,-0.2 -84,-2.5 -2,-0.1 2,-0.5 -0.991 8.5-154.8-128.0 128.4 -13.9 -11.6 14.8 92 125 A V E -c 66 0B 0 -27,-2.3 -25,-2.6 -2,-0.4 2,-0.2 -0.849 17.7-145.9 -95.4 126.0 -12.4 -8.5 16.4 93 126 A A - 0 0 0 -2,-0.5 40,-2.4 38,-0.4 41,-0.8 -0.622 10.7-137.1 -93.4 162.8 -10.8 -6.2 13.8 94 127 A A E -e 134 0D 0 -25,-0.6 41,-0.2 -27,-0.4 2,-0.2 -0.839 13.4-165.2-114.9 157.3 -7.7 -4.0 14.4 95 128 A T E +e 135 0D 0 39,-2.5 41,-3.0 -2,-0.3 2,-0.2 -0.419 48.4 80.7-112.4-166.0 -6.5 -0.5 13.7 96 129 A G E S-e 136 0D 0 39,-0.3 -25,-0.6 -2,-0.2 2,-0.4 -0.595 77.1 -79.4 105.5-169.8 -2.8 0.5 14.0 97 130 A L - 0 0 1 39,-1.3 41,-0.5 -2,-0.2 -2,-0.1 -0.986 34.3-163.6-139.2 139.5 0.1 0.1 11.6 98 131 A W - 0 0 51 -2,-0.4 40,-0.3 39,-0.2 -29,-0.0 0.236 52.7 -63.3-103.7-154.0 2.3 -3.0 11.2 99 132 A G S S+ 0 0 45 1,-0.2 48,-0.0 38,-0.1 41,-0.0 0.353 118.9 61.2 -91.6 12.5 5.7 -3.1 9.5 100 133 A D + 0 0 11 333,-0.0 -1,-0.2 2,-0.0 334,-0.1 -0.244 62.0 168.1-131.7 52.7 4.9 -2.0 6.0 101 134 A P - 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