==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-APR-03 1P6B . COMPND 2 MOLECULE: PARATHION HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: FLAVOBACTERIUM SP.; . AUTHOR C.M.HILL,W.LI,J.B.THODEN,H.M.HOLDEN,F.M.RAUSHEL . 661 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24137.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 475 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 63 9.5 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 . 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 . 31 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 222 33.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 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 5 0 0 5 4 1 1 5 0 4 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 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 . 0 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 . 3 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 34 A G 0 0 72 0, 0.0 3,-0.0 0, 0.0 161,-0.0 0.000 360.0 360.0 360.0 -37.1 32.2 12.9 16.4 2 35 A D + 0 0 128 324,-0.1 11,-1.4 10,-0.0 2,-0.3 0.538 360.0 57.8 -91.4 -11.7 29.9 14.4 19.0 3 36 A R E S-A 12 0A 128 9,-0.2 2,-0.4 10,-0.1 9,-0.2 -0.829 73.3-140.9-121.8 154.1 29.3 10.8 20.1 4 37 A I E -A 11 0A 4 7,-3.0 7,-2.5 -2,-0.3 2,-0.4 -0.945 26.1-118.7-117.1 137.1 31.4 7.9 21.3 5 38 A N E +A 10 0A 41 -2,-0.4 88,-0.3 5,-0.2 2,-0.3 -0.655 36.8 173.1 -81.9 124.6 30.7 4.3 20.2 6 39 A T E > -A 9 0A 5 3,-1.5 3,-1.1 -2,-0.4 125,-0.4 -0.742 49.0-101.5-120.1 171.7 29.9 1.9 22.9 7 40 A V T 3 S+ 0 0 5 84,-2.3 85,-0.1 1,-0.3 74,-0.1 0.630 126.6 47.8 -72.0 -10.2 28.8 -1.7 22.8 8 41 A R T 3 S- 0 0 70 1,-0.5 -1,-0.3 83,-0.2 82,-0.0 0.378 128.0 -89.3-104.7 0.4 25.2 -0.5 23.5 9 42 A G E < -A 6 0A 22 -3,-1.1 -3,-1.5 122,-0.1 -1,-0.5 -0.780 67.9 -24.4 124.1-173.5 25.5 2.2 20.8 10 43 A P E -A 5 0A 62 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.461 54.0-173.7 -76.7 145.3 26.6 5.8 20.6 11 44 A I E -A 4 0A 8 -7,-2.5 -7,-3.0 -2,-0.2 2,-0.2 -0.906 27.9-103.3-132.0 162.0 26.6 8.1 23.6 12 45 A T E >> -A 3 0A 47 -2,-0.3 3,-1.3 -9,-0.2 4,-0.6 -0.539 33.2-112.1 -85.8 155.2 27.3 11.8 24.0 13 46 A I G >4 S+ 0 0 59 -11,-1.4 3,-0.7 1,-0.3 4,-0.4 0.777 117.3 55.3 -55.4 -32.1 30.5 12.9 25.3 14 47 A S G 34 S+ 0 0 95 1,-0.2 3,-0.3 2,-0.2 -1,-0.3 0.724 97.9 65.7 -77.2 -18.1 28.8 14.2 28.5 15 48 A E G <4 S+ 0 0 72 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.687 86.4 71.4 -74.6 -21.5 27.3 10.8 29.1 16 49 A A << + 0 0 3 -3,-0.7 47,-0.2 -4,-0.6 -1,-0.2 0.879 68.4 161.6 -63.5 -39.9 30.8 9.2 29.7 17 50 A G + 0 0 13 -4,-0.4 2,-0.4 -3,-0.3 305,-0.1 -0.143 60.0 14.2 53.0-145.6 31.5 10.8 33.1 18 51 A F S S- 0 0 33 43,-0.4 45,-2.0 303,-0.1 46,-1.9 -0.377 83.2-167.0 -57.8 114.8 34.2 9.1 35.2 19 52 A T E -b 64 0B 4 298,-2.6 2,-0.6 -2,-0.4 46,-0.2 -0.906 23.3-150.9-120.7 134.3 36.1 6.8 32.8 20 53 A L E -b 65 0B 0 44,-2.5 46,-2.2 -2,-0.4 3,-0.2 -0.874 18.0-162.4 -92.9 118.7 38.7 4.0 33.4 21 54 A T E + 0 0 10 244,-1.0 2,-0.3 -2,-0.6 245,-0.1 0.575 68.5 34.9 -86.7 -8.4 40.9 4.0 30.3 22 55 A H E S+ 0 0 3 243,-0.1 246,-1.7 198,-0.1 247,-0.3 -0.791 78.0 118.6-151.1 96.0 42.6 0.6 30.3 23 56 A E E -b 67 0B 0 43,-1.7 45,-2.1 -2,-0.3 2,-0.3 -0.868 40.1-142.9-146.1 177.7 40.8 -2.4 31.6 24 57 A H - 0 0 13 245,-1.6 247,-0.2 -2,-0.3 3,-0.2 -0.994 15.8-155.6-147.9 147.0 39.5 -5.9 30.4 25 58 A I S S+ 0 0 1 1,-0.4 246,-2.5 -2,-0.3 247,-0.6 0.891 94.4 2.2 -85.8 -44.5 36.5 -8.0 31.1 26 59 A C E -d 272 0C 14 245,-0.2 2,-0.7 244,-0.2 -1,-0.4 -0.998 60.8-150.5-143.0 136.1 38.6 -11.1 30.1 27 60 A G E +d 273 0C 9 245,-2.5 247,-2.2 -2,-0.3 248,-1.1 -0.906 53.1 116.8-105.7 101.1 42.3 -11.6 29.1 28 61 A S - 0 0 2 45,-2.3 2,-0.3 -2,-0.7 46,-0.2 -0.272 60.1 -83.6-137.7-139.6 42.3 -14.6 26.8 29 62 A S >> - 0 0 1 45,-0.2 3,-2.1 -2,-0.1 4,-0.5 -0.967 55.1 -73.7-142.9 152.0 43.0 -15.7 23.2 30 63 A A T 34 S- 0 0 12 -2,-0.3 331,-0.1 1,-0.3 332,-0.1 -0.240 117.0 -1.3 -51.6 135.4 41.0 -15.6 20.0 31 64 A G T 3> S+ 0 0 31 44,-0.2 4,-2.1 331,-0.1 -1,-0.3 0.282 101.8 113.6 65.4 -4.3 38.2 -18.3 19.9 32 65 A F H <> S+ 0 0 0 -3,-2.1 4,-3.3 1,-0.2 -2,-0.1 0.938 71.6 50.8 -59.5 -51.1 39.3 -19.5 23.4 33 66 A L H < S+ 0 0 10 -4,-0.5 -1,-0.2 1,-0.2 7,-0.1 0.811 114.2 45.7 -58.4 -33.5 36.2 -18.5 25.3 34 67 A R H 4 S+ 0 0 64 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.860 118.0 42.6 -79.9 -34.3 34.0 -20.3 22.8 35 68 A A H < S+ 0 0 1 -4,-2.1 422,-0.4 1,-0.2 -2,-0.2 0.840 130.7 17.3 -80.9 -34.2 36.1 -23.4 22.6 36 69 A W >< + 0 0 20 -4,-3.3 3,-1.5 -5,-0.2 4,-0.2 -0.422 63.9 155.2-142.4 65.4 36.8 -23.9 26.3 37 70 A P G > S+ 0 0 19 0, 0.0 3,-2.5 0, 0.0 5,-0.2 0.829 70.1 69.2 -58.3 -36.0 34.5 -21.9 28.6 38 71 A E G > S+ 0 0 76 1,-0.3 3,-2.1 2,-0.2 -5,-0.1 0.674 77.7 79.6 -61.4 -15.6 34.9 -24.3 31.5 39 72 A F G < S+ 0 0 44 -3,-1.5 -1,-0.3 1,-0.3 -6,-0.1 0.821 101.6 39.6 -63.8 -20.8 38.5 -23.1 31.8 40 73 A F G < S- 0 0 31 -3,-2.5 2,-1.6 -4,-0.2 -1,-0.3 -0.011 129.4 -96.1-108.0 22.0 36.8 -20.1 33.6 41 74 A G S < S- 0 0 55 -3,-2.1 2,-0.3 4,-0.1 -3,-0.1 -0.543 89.0 -40.2 95.7 -68.9 34.2 -22.3 35.4 42 75 A S > - 0 0 46 -2,-1.6 4,-2.1 -5,-0.2 5,-0.2 -0.933 59.8 -94.1-177.6 167.2 31.8 -21.5 32.7 43 76 A R H > S+ 0 0 69 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.912 123.3 50.1 -62.6 -41.9 30.6 -18.6 30.5 44 77 A K H > S+ 0 0 165 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.914 109.9 51.2 -62.6 -41.0 27.8 -17.7 32.9 45 78 A A H > S+ 0 0 37 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.923 109.5 47.1 -65.4 -43.3 30.1 -17.7 35.8 46 79 A L H X S+ 0 0 5 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.923 113.2 52.7 -63.4 -39.6 32.6 -15.4 34.2 47 80 A A H X S+ 0 0 7 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.931 110.0 45.7 -60.1 -47.9 29.7 -13.2 33.2 48 81 A E H X S+ 0 0 105 -4,-3.1 4,-2.2 1,-0.2 5,-0.2 0.907 110.6 54.1 -64.1 -38.3 28.3 -13.0 36.7 49 82 A K H X S+ 0 0 62 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.920 111.2 45.9 -58.7 -44.4 31.8 -12.3 38.1 50 83 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.883 110.3 51.7 -65.1 -45.5 32.2 -9.4 35.8 51 84 A V H X S+ 0 0 27 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.926 111.0 49.4 -61.0 -45.4 28.7 -7.9 36.4 52 85 A R H X S+ 0 0 145 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.951 113.2 46.0 -58.8 -48.0 29.3 -8.0 40.1 53 86 A G H X S+ 0 0 3 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.871 113.6 48.7 -64.7 -37.2 32.7 -6.3 39.8 54 87 A L H X S+ 0 0 2 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.891 108.0 54.9 -70.5 -37.0 31.3 -3.7 37.4 55 88 A R H X S+ 0 0 142 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.895 108.7 49.5 -61.4 -36.5 28.4 -3.0 39.7 56 89 A R H X S+ 0 0 120 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.862 110.4 48.0 -69.9 -40.9 30.9 -2.3 42.5 57 90 A A H <>S+ 0 0 3 -4,-1.7 5,-2.3 1,-0.2 4,-0.5 0.923 110.1 54.0 -66.9 -39.7 33.0 0.0 40.4 58 91 A R H ><5S+ 0 0 109 -4,-2.5 3,-1.1 1,-0.3 -2,-0.2 0.884 103.9 55.3 -60.9 -36.4 29.8 1.8 39.4 59 92 A A H 3<5S+ 0 0 88 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.842 104.1 54.8 -67.2 -27.9 28.9 2.3 43.0 60 93 A A T 3<5S- 0 0 33 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.537 133.1 -90.7 -80.6 -6.8 32.3 4.0 43.5 61 94 A G T < 5S+ 0 0 36 -3,-1.1 -43,-0.4 -4,-0.5 2,-0.3 0.352 77.7 143.1 115.9 -5.2 31.4 6.4 40.7 62 95 A V < + 0 0 1 -5,-2.3 -1,-0.3 1,-0.2 -43,-0.1 -0.523 13.9 167.4 -71.6 126.1 32.7 4.7 37.5 63 96 A R + 0 0 120 -45,-2.0 27,-2.1 -2,-0.3 2,-0.3 0.676 61.8 28.4-109.8 -27.3 30.4 5.3 34.6 64 97 A T E -bc 19 90B 1 -46,-1.9 -44,-2.5 25,-0.2 2,-0.4 -0.997 55.4-171.5-141.1 143.0 32.5 4.1 31.6 65 98 A I E -bc 20 91B 1 25,-2.2 27,-2.2 -2,-0.3 2,-0.7 -0.993 18.5-141.3-130.3 143.0 35.3 1.6 31.0 66 99 A V E - c 0 92B 0 -46,-2.2 -43,-1.7 -2,-0.4 2,-1.0 -0.906 14.8-152.3-100.9 113.7 37.4 1.2 27.9 67 100 A D E -b 23 0B 2 25,-2.6 27,-0.5 -2,-0.7 -43,-0.2 -0.810 7.4-167.1 -89.6 106.7 37.9 -2.5 27.4 68 101 A V + 0 0 0 -45,-2.1 2,-0.5 -2,-1.0 -44,-0.1 -0.001 38.5 133.8 -83.5 28.5 41.3 -2.6 25.5 69 102 A S - 0 0 1 -46,-0.1 25,-0.6 4,-0.1 2,-0.1 -0.704 38.4-161.8 -83.4 123.5 41.0 -6.4 24.5 70 103 A T > > - 0 0 0 -2,-0.5 3,-2.0 23,-0.1 5,-1.9 -0.389 41.2 -84.7 -94.9 177.2 41.8 -6.9 20.8 71 104 A F G > 5S+ 0 0 10 25,-0.7 3,-1.5 1,-0.3 26,-0.1 0.908 132.5 48.3 -45.0 -51.7 41.0 -9.8 18.5 72 105 A D G 3 5S+ 0 0 2 1,-0.3 -1,-0.3 24,-0.2 -42,-0.2 0.468 101.1 63.9 -71.7 -7.1 44.2 -11.6 19.8 73 106 A I G < 5S- 0 0 5 -3,-2.0 -45,-2.3 -44,-0.2 -1,-0.3 0.390 121.2-112.0 -92.7 -1.3 43.2 -10.8 23.4 74 107 A G T < 5 - 0 0 11 -3,-1.5 -45,-0.2 -4,-0.4 -41,-0.2 0.769 46.3-170.1 77.3 23.0 40.2 -13.0 22.7 75 108 A R < - 0 0 16 -5,-1.9 2,-0.5 -47,-0.1 -44,-0.2 -0.172 8.0-163.5 -48.6 132.2 37.7 -10.1 22.8 76 109 A D >> - 0 0 11 1,-0.1 4,-2.0 -50,-0.1 3,-0.5 -0.876 5.6-171.4-127.9 93.2 34.1 -11.4 22.8 77 110 A V H 3> S+ 0 0 0 -2,-0.5 4,-2.9 1,-0.3 5,-0.3 0.832 84.3 58.7 -56.8 -37.8 31.9 -8.5 21.9 78 111 A S H 3> S+ 0 0 50 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.940 108.0 47.9 -60.8 -38.5 28.7 -10.4 22.6 79 112 A L H <> S+ 0 0 3 -3,-0.5 4,-2.1 1,-0.2 5,-0.3 0.911 110.5 51.9 -65.5 -43.6 30.0 -10.9 26.2 80 113 A L H X S+ 0 0 4 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.922 110.4 48.3 -60.3 -44.8 30.9 -7.2 26.5 81 114 A A H X S+ 0 0 13 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.910 110.9 51.2 -63.3 -41.0 27.3 -6.2 25.4 82 115 A E H X S+ 0 0 103 -4,-2.1 4,-1.7 -5,-0.3 -2,-0.2 0.929 113.6 41.0 -65.7 -42.3 25.7 -8.5 27.8 83 116 A V H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.821 112.2 57.2 -75.7 -29.2 27.6 -7.4 30.9 84 117 A S H X>S+ 0 0 0 -4,-2.0 5,-1.8 -5,-0.3 4,-1.1 0.909 109.7 44.1 -62.6 -45.1 27.3 -3.8 29.9 85 118 A R H <5S+ 0 0 158 -4,-1.9 -2,-0.2 3,-0.2 -1,-0.2 0.857 117.2 46.3 -66.8 -40.7 23.5 -4.1 29.8 86 119 A A H <5S+ 0 0 62 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.880 120.4 35.0 -72.0 -43.1 23.4 -6.0 33.1 87 120 A A H <5S- 0 0 1 -4,-2.7 -2,-0.2 2,-0.1 -1,-0.2 0.573 102.9-129.7 -85.8 -14.0 25.8 -3.8 35.2 88 121 A D T <5 + 0 0 81 -4,-1.1 2,-0.4 -5,-0.3 -3,-0.2 0.969 61.5 135.4 59.5 56.0 24.6 -0.6 33.4 89 122 A V < - 0 0 3 -5,-1.8 -1,-0.3 -6,-0.2 2,-0.3 -0.997 58.1-119.7-130.7 134.8 28.1 0.5 32.7 90 123 A H E -c 64 0B 25 -27,-2.1 -25,-2.2 -2,-0.4 2,-0.4 -0.610 29.1-163.7 -77.0 142.0 29.1 1.9 29.3 91 124 A I E -c 65 0B 0 -2,-0.3 -84,-2.3 -27,-0.2 2,-0.5 -0.994 9.3-153.4-130.7 124.8 31.9 -0.2 27.6 92 125 A V E -c 66 0B 1 -27,-2.2 -25,-2.6 -2,-0.4 2,-0.2 -0.853 18.9-147.1 -95.8 125.1 34.0 1.0 24.7 93 126 A A - 0 0 0 -2,-0.5 40,-2.8 38,-0.4 41,-0.8 -0.621 11.8-138.6 -93.3 156.6 35.3 -1.8 22.6 94 127 A A E -e 134 0D 0 -25,-0.6 41,-0.2 -27,-0.5 2,-0.2 -0.777 14.2-164.4-119.0 159.9 38.6 -1.9 20.8 95 128 A T E +e 135 0D 0 39,-2.3 41,-3.3 -2,-0.3 2,-0.2 -0.565 48.6 76.8-119.8-174.6 40.2 -2.9 17.5 96 129 A G E S-e 136 0D 0 39,-0.3 -25,-0.7 -2,-0.2 2,-0.3 -0.669 75.1 -78.5 105.7-165.6 44.0 -3.3 16.8 97 130 A L - 0 0 2 39,-1.4 41,-0.4 -2,-0.2 -2,-0.1 -0.994 27.8-158.7-144.5 140.6 46.4 -6.1 17.7 98 131 A W - 0 0 37 -2,-0.3 40,-0.3 39,-0.2 -25,-0.0 0.212 51.1 -73.9 -93.7-147.6 48.3 -7.2 20.9 99 132 A F S S+ 0 0 74 1,-0.2 48,-0.0 38,-0.1 -26,-0.0 0.204 115.6 65.4-106.1 24.8 51.3 -9.3 21.0 100 133 A D + 0 0 17 333,-0.0 -1,-0.2 2,-0.0 334,-0.1 -0.187 62.6 160.1-132.0 46.5 49.9 -12.8 20.2 101 134 A P - 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