==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-MAR-04 1V04 . COMPND 2 MOLECULE: SERUM PARAOXONASE/ARYLESTERASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS, ORYCTOLAGUS CUNICULUS, . AUTHOR M.HAREL,A.AHARONI,L.GAIDUKOV,B.BRUMSHTEIN,O.KHERSONSKY, . 332 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15683.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 219 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 125 37.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 2 0.6 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 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 0 1 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 RESIDUES PER ALPHA HELIX . 0 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 0 PARALLEL BRIDGES PER LADDER . 1 1 1 2 6 5 3 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 . 0 0 4 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 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 16 A L 0 0 226 0, 0.0 2,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 45.1 21.5 -6.9 21.2 2 17 A F > + 0 0 148 1,-0.1 3,-1.1 2,-0.0 4,-0.2 -0.760 360.0 177.8-105.9 96.7 20.1 -3.7 19.8 3 18 A D T 3> + 0 0 101 -2,-0.8 4,-2.1 1,-0.2 5,-0.2 0.170 64.1 103.8 -62.7 13.5 22.6 -0.7 19.4 4 19 A R H 3> S+ 0 0 160 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.846 72.9 53.1 -75.5 -35.4 19.4 0.8 17.9 5 20 A Q H <> S+ 0 0 71 -3,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.814 110.1 47.8 -58.7 -44.5 18.7 2.9 21.0 6 21 A K H > S+ 0 0 143 -4,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.923 115.9 43.4 -66.6 -47.7 22.3 4.4 20.9 7 22 A S H X S+ 0 0 46 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.780 114.7 49.5 -71.0 -29.5 22.1 5.2 17.2 8 23 A S H X S+ 0 0 55 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.903 112.6 48.6 -74.1 -40.0 18.6 6.6 17.5 9 24 A F H X S+ 0 0 43 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.910 107.7 55.5 -59.7 -46.3 19.7 8.7 20.5 10 25 A Q H <>S+ 0 0 95 -4,-2.3 5,-2.2 1,-0.2 4,-0.3 0.853 112.4 41.8 -61.6 -36.1 22.8 10.0 18.6 11 26 A T H ><5S+ 0 0 85 -4,-1.2 3,-0.6 3,-0.2 -2,-0.2 0.918 113.2 50.7 -78.0 -42.7 20.7 11.3 15.7 12 27 A R H 3<5S+ 0 0 12 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.944 119.2 38.5 -55.9 -48.6 17.8 12.8 17.8 13 28 A F T 3<5S- 0 0 0 -4,-2.4 253,-2.5 -5,-0.2 254,-0.9 0.482 101.9-135.6 -83.8 -4.5 20.3 14.7 20.0 14 29 A N T X 5 - 0 0 27 -3,-0.6 3,-1.4 -4,-0.3 -3,-0.2 0.945 31.1-172.0 57.3 52.6 22.6 15.5 17.0 15 30 A V T 3 < + 0 0 20 -5,-2.2 -1,-0.1 1,-0.3 -4,-0.1 0.711 70.0 33.1 -69.3 -24.7 25.4 14.5 19.2 16 31 A H T 3 S+ 0 0 154 -6,-0.3 -1,-0.3 2,-0.0 -2,-0.1 0.463 83.6 133.2-107.4 2.1 28.5 15.5 17.1 17 32 A R < - 0 0 54 -3,-1.4 2,-0.4 247,-0.2 227,-0.0 -0.193 34.4-166.2 -58.0 141.3 27.1 18.6 15.3 18 33 A E - 0 0 127 246,-0.1 2,-0.1 247,-0.0 -2,-0.0 -0.993 25.5-110.8-129.7 131.6 29.3 21.7 15.2 19 34 A V - 0 0 21 -2,-0.4 283,-0.1 1,-0.1 281,-0.1 -0.388 12.6-144.5 -71.1 134.0 27.9 25.0 14.1 20 35 A T - 0 0 106 -2,-0.1 -1,-0.1 281,-0.1 2,-0.0 -0.914 35.0-124.6 -88.7 111.6 28.9 26.7 10.8 21 36 A P - 0 0 84 0, 0.0 2,-0.4 0, 0.0 280,-0.2 -0.287 27.2-171.9 -59.3 138.8 28.8 30.4 11.8 22 37 A V B -A 300 0A 51 278,-2.2 278,-1.9 2,-0.0 2,-0.2 -0.959 18.4-148.5-128.6 121.8 26.7 32.8 9.9 23 38 A E - 0 0 175 -2,-0.4 278,-0.1 276,-0.2 0, 0.0 -0.518 12.4-162.5 -99.8 152.0 27.3 36.4 10.9 24 39 A L - 0 0 29 -2,-0.2 3,-0.4 309,-0.0 2,-0.2 -0.928 26.5-111.1-125.3 152.8 25.2 39.6 11.0 25 40 A P S S+ 0 0 77 0, 0.0 307,-1.9 0, 0.0 0, 0.0 -0.510 91.8 12.7 -81.1 148.4 26.2 43.2 11.2 26 41 A N S S+ 0 0 93 305,-0.2 2,-0.5 -2,-0.2 306,-0.3 0.916 73.2 175.5 57.9 54.0 25.6 45.3 14.3 27 42 A C + 0 0 39 -3,-0.4 2,-0.4 304,-0.2 304,-0.2 -0.800 4.0 179.8 -88.2 127.9 24.7 42.5 16.8 28 43 A N E -E 330 0B 83 302,-2.1 302,-2.7 -2,-0.5 2,-0.1 -0.999 28.9-122.3-129.6 133.6 24.2 43.9 20.3 29 44 A L E -E 329 0B 70 -2,-0.4 2,-0.8 300,-0.2 300,-0.2 -0.475 39.0-108.0 -65.9 139.0 23.2 42.0 23.4 30 45 A V > - 0 0 13 298,-2.8 3,-1.8 -2,-0.1 298,-0.2 -0.643 31.3-123.2 -77.6 112.2 20.1 43.4 24.9 31 46 A K T 3 S+ 0 0 186 -2,-0.8 44,-0.6 1,-0.2 3,-0.1 -0.283 93.9 24.6 -51.5 125.3 20.8 45.3 28.1 32 47 A G T 3 S+ 0 0 54 1,-0.2 2,-0.6 42,-0.1 -1,-0.2 0.444 91.0 106.5 99.0 0.2 18.8 43.9 31.0 33 48 A I < + 0 0 4 -3,-1.8 295,-0.4 1,-0.1 -1,-0.2 -0.933 26.7 130.3-114.3 107.5 18.2 40.3 29.8 34 49 A D + 0 0 90 -2,-0.6 293,-0.1 2,-0.2 -1,-0.1 0.473 64.3 56.0-130.7 -4.3 20.4 37.8 31.7 35 50 A N S S- 0 0 59 1,-0.5 18,-1.6 288,-0.0 19,-0.3 -0.148 114.3 -66.3-130.0 29.5 18.0 35.1 32.8 36 51 A G - 0 0 1 290,-2.6 -1,-0.5 16,-0.2 288,-0.2 -0.007 24.0-150.7 109.2 162.0 16.5 33.9 29.6 37 52 A S + 0 0 0 286,-3.2 15,-0.2 15,-0.2 273,-0.2 -0.385 30.9 165.1-159.3 51.0 14.2 35.2 26.8 38 53 A E + 0 0 4 286,-0.5 2,-0.3 13,-0.2 210,-0.2 0.771 63.4 14.5 -61.1 -36.3 12.7 31.8 25.8 39 54 A D E +H 51 0C 4 12,-0.6 12,-2.1 54,-0.2 2,-0.3 -0.977 64.5 172.6-134.6 159.1 9.8 33.1 23.8 40 55 A L E -H 50 0C 2 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.983 11.4-163.2-157.3 159.0 8.8 36.4 22.4 41 56 A E E -H 49 0C 41 8,-2.1 8,-2.7 -2,-0.3 2,-0.5 -0.971 10.9-147.7-149.2 133.8 6.2 37.9 20.1 42 57 A I E -H 48 0C 31 -2,-0.3 6,-0.3 6,-0.2 55,-0.1 -0.884 14.7-140.7-100.8 128.1 6.2 41.2 18.2 43 58 A L > - 0 0 7 4,-3.5 3,-1.9 -2,-0.5 -2,-0.0 -0.443 31.4-104.6 -73.6 161.6 2.9 43.1 17.6 44 59 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.801 122.1 60.4 -50.3 -33.5 2.2 44.9 14.2 45 60 A N T 3 S- 0 0 75 2,-0.1 24,-0.1 1,-0.1 3,-0.1 0.464 123.0-106.2 -78.8 2.2 2.8 48.2 16.0 46 61 A G S < S+ 0 0 0 -3,-1.9 22,-2.4 1,-0.3 2,-0.4 0.419 74.2 138.3 92.0 -3.5 6.4 47.0 16.9 47 62 A L E - I 0 67C 8 20,-0.2 -4,-3.5 21,-0.1 2,-0.5 -0.632 38.0-157.0 -71.3 128.6 5.9 46.3 20.7 48 63 A A E -HI 42 66C 0 18,-3.3 18,-2.6 -2,-0.4 2,-0.4 -0.945 6.7-157.6-112.9 134.2 7.6 43.1 21.6 49 64 A F E -HI 41 65C 0 -8,-2.7 -8,-2.1 -2,-0.5 2,-0.4 -0.857 11.9-172.0-104.8 141.2 6.8 40.9 24.6 50 65 A I E -HI 40 64C 0 14,-2.3 14,-2.7 -2,-0.4 2,-0.3 -0.995 15.8-144.2-134.6 128.4 9.4 38.5 26.0 51 66 A S E +HI 39 63C 0 -12,-2.1 -12,-0.6 -2,-0.4 2,-0.3 -0.706 32.6 170.4 -87.6 147.2 9.0 35.8 28.7 52 67 A S E + I 0 62C 12 10,-2.1 10,-2.1 -2,-0.3 -16,-0.2 -0.975 39.8 50.7-149.9 163.6 12.0 35.5 30.9 53 68 A G + 0 0 4 -18,-1.6 -17,-0.2 -2,-0.3 -1,-0.1 0.726 64.6 178.2 80.5 22.0 13.4 33.9 34.0 54 69 A L - 0 0 20 270,-0.4 2,-0.4 -19,-0.3 -1,-0.2 -0.359 12.3-160.7 -56.5 129.4 12.3 30.4 33.1 55 70 A K 0 0 118 57,-0.1 57,-0.1 -2,-0.1 -1,-0.0 -0.978 360.0 360.0-112.3 133.4 13.2 27.6 35.6 56 71 A Y 0 0 247 -2,-0.4 59,-0.0 59,-0.0 56,-0.0 -0.409 360.0 360.0 -66.6 360.0 13.2 23.9 34.5 57 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 58 80 A D 0 0 210 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 65.9 16.9 36.2 43.4 59 81 A K - 0 0 119 1,-0.0 3,-0.1 3,-0.0 0, 0.0 -0.811 360.0-151.7-111.9 103.9 15.4 36.7 39.9 60 82 A S - 0 0 68 -2,-0.7 2,-0.2 1,-0.2 31,-0.1 0.055 29.4 -89.1 -64.6 166.6 11.7 35.9 39.2 61 83 A G + 0 0 7 29,-0.9 2,-0.3 26,-0.2 -8,-0.2 -0.576 61.5 166.3 -65.4 138.0 9.7 34.9 36.2 62 84 A K E -I 52 0C 52 -10,-2.1 -10,-2.1 -2,-0.2 2,-0.5 -0.994 39.6-125.3-152.1 160.9 8.7 38.0 34.4 63 85 A I E -I 51 0C 2 15,-0.4 15,-3.0 -2,-0.3 2,-0.3 -0.959 30.7-160.5-106.4 133.3 7.3 39.4 31.1 64 86 A L E -IJ 50 77C 11 -14,-2.7 -14,-2.3 -2,-0.5 2,-0.4 -0.783 3.9-148.9-112.6 156.0 9.4 42.1 29.5 65 87 A L E -IJ 49 76C 7 11,-2.7 11,-2.0 -2,-0.3 2,-0.4 -0.974 11.4-176.5-126.5 134.0 8.4 44.7 26.9 66 88 A M E -IJ 48 75C 1 -18,-2.6 -18,-3.3 -2,-0.4 2,-0.9 -0.998 20.6-144.0-128.5 138.1 10.5 46.3 24.3 67 89 A D E > -I 47 0C 49 7,-0.5 3,-1.8 -2,-0.4 -20,-0.2 -0.818 13.5-169.0 -98.4 102.2 9.4 49.0 21.9 68 90 A L T 3 S+ 0 0 9 -22,-2.4 -1,-0.1 -2,-0.9 -21,-0.1 0.492 78.3 73.3 -79.9 0.1 11.2 48.1 18.7 69 91 A N T 3 S+ 0 0 88 -24,-0.1 -1,-0.3 -23,-0.1 2,-0.2 0.625 80.4 91.8 -78.1 -15.6 10.3 51.5 17.0 70 92 A E S < S- 0 0 88 -3,-1.8 -4,-0.0 1,-0.1 0, 0.0 -0.511 84.1-129.0 -75.1 150.0 12.9 53.1 19.3 71 93 A K S S+ 0 0 203 1,-0.3 -1,-0.1 -2,-0.2 -3,-0.0 0.910 106.9 24.7 -69.3 -35.0 16.4 53.4 17.9 72 94 A E S S- 0 0 166 2,-0.0 -1,-0.3 -3,-0.0 -3,-0.1 -0.786 93.3-149.4-118.9 81.0 18.0 51.7 21.1 73 95 A P - 0 0 20 0, 0.0 2,-0.4 0, 0.0 -5,-0.1 -0.257 10.0-157.6 -58.3 135.5 15.1 49.7 22.4 74 96 A A - 0 0 68 -7,-0.1 -7,-0.5 -44,-0.1 2,-0.3 -0.909 13.6-124.7-111.8 143.7 15.3 49.4 26.2 75 97 A V E -J 66 0C 32 -44,-0.6 2,-0.4 -2,-0.4 -9,-0.2 -0.608 24.7-171.1 -85.6 145.7 13.5 46.5 28.1 76 98 A S E -J 65 0C 45 -11,-2.0 -11,-2.7 -2,-0.3 2,-0.5 -0.988 25.5-117.3-133.0 151.0 11.1 47.1 30.8 77 99 A E E -J 64 0C 114 -2,-0.4 2,-0.5 -13,-0.2 -13,-0.2 -0.736 28.2-134.0 -77.6 125.7 9.4 44.7 33.3 78 100 A L - 0 0 2 -15,-3.0 -15,-0.4 -2,-0.5 2,-0.3 -0.678 19.5-128.5 -78.3 127.5 5.6 44.6 32.8 79 101 A E E -k 130 0D 133 50,-1.2 52,-2.7 -2,-0.5 2,-0.6 -0.555 16.8-137.5 -70.5 129.6 3.8 44.8 36.2 80 102 A I E -k 131 0D 37 -2,-0.3 2,-0.3 50,-0.2 52,-0.2 -0.814 23.3-171.3 -85.9 119.7 1.2 42.0 36.8 81 103 A I E +k 132 0D 64 50,-3.0 52,-3.0 -2,-0.6 2,-0.2 -0.857 34.8 77.3-108.1 151.6 -2.0 43.3 38.3 82 104 A G - 0 0 38 -2,-0.3 3,-0.2 50,-0.2 52,-0.1 -0.431 63.7-122.9 135.4 158.2 -4.9 41.2 39.6 83 105 A N S S+ 0 0 175 -2,-0.2 -1,-0.1 50,-0.1 -2,-0.0 0.228 96.8 78.0-109.5 11.4 -5.7 39.2 42.7 84 106 A T S S+ 0 0 97 49,-0.1 2,-0.4 -3,-0.1 -1,-0.1 0.350 86.1 64.6 -98.1 0.9 -6.4 36.0 40.8 85 107 A L S S- 0 0 24 -3,-0.2 2,-0.9 48,-0.1 3,-0.1 -0.983 72.3-137.5-127.4 134.9 -2.8 34.9 40.1 86 108 A D > - 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