==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-DEC-06 2OB3 . 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 . 658 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23200.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 478 72.6 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 . 8 1.2 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 . 83 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 227 34.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 4.1 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 3 1 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 . 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 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 0 132 0, 0.0 2,-0.1 0, 0.0 11,-0.1 0.000 360.0 360.0 360.0-124.3 -7.9 17.8 27.0 2 36 A R - 0 0 152 323,-0.1 2,-0.5 9,-0.1 9,-0.2 -0.386 360.0-129.3 -72.8 152.2 -9.5 14.3 26.2 3 37 A I E -A 10 0A 3 7,-2.7 7,-2.5 322,-0.1 2,-0.4 -0.872 20.1-127.1-103.1 122.8 -7.5 11.6 24.4 4 38 A N E +A 9 0A 43 -2,-0.5 2,-0.3 5,-0.2 88,-0.3 -0.594 32.1 176.0 -79.5 132.0 -9.2 10.0 21.4 5 39 A T E > -A 8 0A 4 3,-1.2 3,-1.5 -2,-0.4 125,-0.4 -0.755 48.7 -97.1-118.6 172.0 -9.4 6.2 21.4 6 40 A V T 3 S+ 0 0 7 84,-2.7 85,-0.1 1,-0.3 74,-0.1 0.753 127.3 46.8 -67.7 -23.0 -11.0 3.8 19.0 7 41 A R T 3 S- 0 0 102 1,-0.4 -1,-0.3 83,-0.2 84,-0.1 0.460 129.1 -80.6 -89.6 -5.1 -14.1 3.7 21.3 8 42 A G E < -A 5 0A 25 -3,-1.5 -3,-1.2 122,-0.1 -1,-0.4 -0.686 69.6 -31.9 129.4 177.6 -14.2 7.5 21.8 9 43 A P E -A 4 0A 75 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.443 54.7-166.3 -70.5 143.4 -12.5 10.2 23.8 10 44 A I E -A 3 0A 8 -7,-2.5 -7,-2.7 -2,-0.1 2,-0.1 -0.873 18.4-116.7-124.4 155.0 -11.3 9.4 27.3 11 45 A T >> - 0 0 42 -2,-0.3 3,-1.4 -9,-0.2 4,-0.7 -0.494 32.0-106.9 -81.5 163.3 -10.1 11.6 30.2 12 46 A I H >> S+ 0 0 91 1,-0.3 3,-1.1 2,-0.2 4,-0.6 0.880 119.6 61.4 -54.7 -39.6 -6.6 11.5 31.6 13 47 A S H 34 S+ 0 0 102 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.762 102.7 51.4 -61.4 -27.2 -8.0 9.8 34.7 14 48 A E H <4 S+ 0 0 94 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.599 89.0 77.3 -86.5 -17.0 -9.1 6.8 32.5 15 49 A A H << + 0 0 1 -3,-1.1 47,-0.2 -4,-0.7 -1,-0.2 0.897 65.3 164.6 -68.6 -40.9 -5.9 6.0 30.6 16 50 A G < + 0 0 24 -4,-0.6 2,-0.3 -3,-0.1 -1,-0.1 -0.134 57.5 7.7 62.5-155.5 -4.1 4.2 33.5 17 51 A F S S- 0 0 28 43,-0.4 45,-2.9 303,-0.1 46,-2.0 -0.440 82.9-168.2 -61.9 119.2 -1.0 2.1 32.7 18 52 A T E -b 63 0B 2 298,-2.7 2,-0.6 -2,-0.3 246,-0.2 -0.957 25.0-152.1-125.9 128.8 -0.3 2.9 29.1 19 53 A L E -b 64 0B 0 44,-2.2 46,-2.4 -2,-0.4 3,-0.2 -0.888 17.0-162.8 -93.2 117.2 2.1 1.2 26.6 20 54 A T E S+ 0 0 7 244,-0.9 2,-0.3 -2,-0.6 245,-0.1 0.486 71.1 40.7 -92.8 -1.6 3.0 4.0 24.1 21 55 A H E S+ 0 0 2 243,-0.2 246,-1.8 45,-0.1 245,-0.4 -0.755 78.5 123.0-148.7 99.7 4.4 2.1 21.1 22 56 A E E -b 66 0B 0 43,-2.2 45,-2.3 -2,-0.3 2,-0.3 -0.869 38.7-145.9-142.9 174.3 2.5 -1.1 20.1 23 57 A H - 0 0 11 245,-1.5 3,-0.2 -2,-0.3 43,-0.1 -0.997 15.1-159.4-142.9 145.4 0.7 -2.7 17.2 24 58 A I S S+ 0 0 0 1,-0.3 246,-2.2 -2,-0.3 247,-0.6 0.857 93.0 0.9 -81.1 -45.2 -2.3 -5.0 16.8 25 59 A C E -d 271 0C 10 245,-0.2 2,-0.8 244,-0.2 -1,-0.3 -0.968 61.7-150.4-147.5 128.7 -1.1 -6.0 13.3 26 60 A G E +d 272 0C 9 245,-2.9 247,-2.8 -2,-0.4 248,-0.8 -0.868 53.4 114.2-100.2 104.1 2.0 -4.9 11.4 27 61 A S - 0 0 1 45,-2.6 2,-0.3 -2,-0.8 46,-0.2 -0.334 61.4 -82.5-141.8-146.1 1.0 -5.2 7.7 28 62 A S >> - 0 0 2 45,-0.2 3,-2.0 44,-0.1 4,-0.6 -0.961 54.6 -75.4-140.3 154.4 0.4 -3.1 4.7 29 63 A A T 34 S+ 0 0 12 -2,-0.3 330,-0.1 1,-0.3 331,-0.1 -0.229 116.0 1.6 -54.1 132.5 -2.5 -1.0 3.4 30 64 A G T 3> S+ 0 0 28 44,-0.2 4,-1.8 330,-0.1 -1,-0.3 0.291 101.7 109.6 81.4 -15.4 -5.3 -3.2 2.1 31 65 A F H <> S+ 0 0 0 -3,-2.0 4,-2.7 1,-0.2 -2,-0.1 0.919 71.6 50.0 -72.1 -43.3 -3.5 -6.4 2.9 32 66 A L H < S+ 0 0 9 -4,-0.6 -1,-0.2 1,-0.2 7,-0.1 0.885 115.2 46.5 -61.3 -38.5 -5.5 -7.9 5.7 33 67 A R H 4 S+ 0 0 105 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.847 118.4 40.4 -70.9 -35.1 -8.7 -7.3 3.7 34 68 A A H < S+ 0 0 0 -4,-1.8 421,-0.4 1,-0.2 -2,-0.2 0.779 131.5 21.1 -84.4 -29.8 -7.3 -8.8 0.5 35 69 A W >< + 0 0 16 -4,-2.7 3,-1.8 -5,-0.2 4,-0.3 -0.394 64.3 153.2-140.2 59.3 -5.4 -11.8 2.0 36 70 A P G > + 0 0 19 0, 0.0 3,-1.8 0, 0.0 9,-0.1 0.802 69.7 70.9 -64.1 -27.8 -6.7 -12.6 5.5 37 71 A E G > S+ 0 0 83 1,-0.3 3,-2.0 2,-0.2 -5,-0.1 0.716 79.7 75.5 -63.8 -17.2 -5.6 -16.2 5.1 38 72 A F G < S+ 0 0 35 -3,-1.8 -1,-0.3 1,-0.3 3,-0.1 0.842 102.5 41.9 -55.4 -34.8 -2.0 -15.0 5.4 39 73 A F G < S- 0 0 28 -3,-1.8 2,-1.4 -4,-0.3 -1,-0.3 0.103 126.7-102.3 -94.2 14.0 -2.9 -14.7 9.1 40 74 A G S < S- 0 0 56 -3,-2.0 2,-0.3 4,-0.1 3,-0.1 -0.610 90.0 -31.6 90.1 -68.8 -4.8 -18.0 9.2 41 75 A S > - 0 0 47 -2,-1.4 4,-2.2 1,-0.1 5,-0.2 -0.953 60.4-103.1-164.2 165.8 -8.0 -15.9 9.0 42 76 A R H > S+ 0 0 62 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.910 123.7 52.9 -59.9 -42.5 -9.2 -12.5 10.2 43 77 A K H > S+ 0 0 142 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.905 108.6 49.0 -59.0 -46.8 -11.1 -14.3 13.0 44 78 A A H > S+ 0 0 36 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.904 111.5 49.6 -59.5 -45.5 -7.9 -16.1 14.1 45 79 A L H X S+ 0 0 4 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.930 112.2 47.4 -62.4 -47.5 -5.9 -12.8 14.1 46 80 A A H X S+ 0 0 6 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.920 111.6 50.8 -60.5 -43.2 -8.6 -11.1 16.1 47 81 A E H X S+ 0 0 79 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.898 110.1 49.6 -60.5 -42.7 -8.8 -14.0 18.6 48 82 A K H X S+ 0 0 54 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.917 112.1 48.5 -61.7 -45.1 -5.0 -13.9 19.0 49 83 A A H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.911 110.3 50.6 -63.4 -43.0 -5.1 -10.1 19.6 50 84 A V H X S+ 0 0 15 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.939 110.6 49.5 -62.5 -44.2 -7.9 -10.4 22.2 51 85 A R H X S+ 0 0 150 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.930 114.1 45.7 -59.7 -42.8 -6.0 -13.1 24.1 52 86 A G H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.900 112.5 49.1 -70.7 -37.7 -2.9 -11.0 24.2 53 87 A L H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.879 111.3 50.2 -66.2 -37.3 -4.7 -7.8 25.2 54 88 A R H X S+ 0 0 143 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.887 109.0 52.8 -65.2 -39.4 -6.4 -9.7 27.9 55 89 A R H X S+ 0 0 89 -4,-2.1 4,-1.2 -5,-0.2 -2,-0.2 0.960 111.9 45.8 -53.8 -53.8 -3.0 -11.1 29.0 56 90 A A H ><>S+ 0 0 0 -4,-2.5 5,-2.3 1,-0.2 3,-0.5 0.911 111.2 51.8 -61.2 -42.8 -1.7 -7.5 29.2 57 91 A R H ><5S+ 0 0 78 -4,-2.6 3,-1.8 1,-0.2 -1,-0.2 0.907 105.7 55.1 -61.9 -41.3 -4.8 -6.2 31.0 58 92 A A H 3<5S+ 0 0 93 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.784 106.2 52.7 -62.8 -26.1 -4.4 -9.0 33.6 59 93 A A T <<5S- 0 0 26 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.385 133.9 -88.8 -89.9 0.1 -0.8 -7.7 34.1 60 94 A G T < 5S+ 0 0 25 -3,-1.8 -43,-0.4 1,-0.3 -3,-0.2 0.291 78.5 141.1 113.9 -7.8 -2.1 -4.1 34.7 61 95 A V < + 0 0 0 -5,-2.3 -1,-0.3 1,-0.2 -43,-0.2 -0.457 15.3 168.1 -70.4 138.3 -2.2 -2.5 31.2 62 96 A R + 0 0 88 -45,-2.9 27,-2.5 1,-0.4 2,-0.3 0.658 63.1 24.8-117.7 -27.9 -5.2 -0.3 30.6 63 97 A T E -bc 18 89B 1 -46,-2.0 -44,-2.2 25,-0.2 -1,-0.4 -0.992 56.6-168.6-138.7 141.0 -4.3 1.5 27.4 64 98 A I E -bc 19 90B 0 25,-2.5 27,-2.4 -2,-0.3 2,-0.7 -0.964 18.7-138.5-122.3 153.6 -2.1 0.9 24.4 65 99 A V E - 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0 0 0 -5,-1.2 -1,-0.2 -6,-0.2 -25,-0.2 -1.000 58.9-122.4-124.4 129.4 -8.2 -2.2 26.8 89 123 A H E -c 63 0B 24 -27,-2.5 -25,-2.5 -2,-0.4 2,-0.4 -0.506 27.8-161.3 -67.0 140.0 -8.2 1.4 25.5 90 124 A I E -c 64 0B 0 -27,-0.2 -84,-2.7 -2,-0.2 2,-0.5 -0.990 8.1-155.6-128.4 122.1 -6.5 1.7 22.1 91 125 A V E -c 65 0B 0 -27,-2.4 -25,-2.6 -2,-0.4 2,-0.2 -0.849 18.7-146.6 -90.1 125.9 -5.2 5.0 20.7 92 126 A A - 0 0 0 -2,-0.5 40,-2.9 38,-0.4 41,-0.8 -0.559 11.7-136.8 -91.2 160.6 -5.0 4.9 16.8 93 127 A A E -e 133 0D 0 -25,-0.6 41,-0.2 -27,-0.4 2,-0.2 -0.822 14.7-165.6-116.5 152.6 -2.4 6.8 14.7 94 128 A T E +e 134 0D 0 39,-2.3 41,-3.0 -2,-0.3 2,-0.2 -0.485 48.0 80.9-109.7-166.1 -2.0 8.8 11.6 95 129 A G E S-e 135 0D 0 39,-0.3 -25,-0.6 -2,-0.2 2,-0.3 -0.618 73.7 -82.9 102.7-168.9 1.2 9.6 9.9 96 130 A L - 0 0 2 39,-1.4 41,-0.5 -2,-0.2 2,-0.1 -0.986 28.8-161.3-142.8 139.1 3.4 7.6 7.5 97 131 A W - 0 0 32 -2,-0.3 40,-0.2 39,-0.2 52,-0.0 0.022 51.9 -72.4 -98.9-158.3 6.0 5.0 8.0 98 132 A F S S+ 0 0 72 1,-0.2 48,-0.0 38,-0.1 38,-0.0 0.151 116.7 68.0-102.4 30.3 8.6 3.9 5.5 99 133 A D + 0 0 13 332,-0.0 -1,-0.2 2,-0.0 333,-0.1 -0.170 61.7 158.6-125.9 48.4 6.4 2.0 3.0 100 134 A P - 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