==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-JUL-11 3SRE . COMPND 2 MOLECULE: SERUM PARAOXONASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTIFICIAL GENE; . AUTHOR M.BEN DAVID,M.ELIAS,I.SILMAN,J.L.SUSSMAN,D.S.TAWFIK . 328 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14053.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 67.4 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 . 126 38.4 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 . 2 0.6 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 . 32 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 5.8 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 1 1 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 0 2 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 17 A F 0 0 140 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -28.2 -6.8 7.1 22.6 2 18 A D + 0 0 146 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.681 360.0 114.3 77.9 35.7 -9.7 4.8 23.3 3 19 A R > + 0 0 65 2,-0.1 4,-1.0 3,-0.0 0, 0.0 -0.196 57.5 84.9-107.4 19.0 -8.5 2.5 20.6 4 20 A Q H > S+ 0 0 128 2,-0.2 4,-1.8 3,-0.1 5,-0.1 0.626 82.8 55.6 -82.9 -29.1 -8.0 0.3 23.7 5 21 A K H > S+ 0 0 48 2,-0.2 4,-2.2 3,-0.1 5,-0.1 0.828 106.5 51.9 -67.7 -34.4 -11.6 -0.8 23.2 6 22 A S H > S+ 0 0 71 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.912 109.2 46.9 -70.4 -46.1 -10.7 -1.8 19.7 7 23 A S H X S+ 0 0 57 -4,-1.0 4,-2.7 2,-0.2 5,-0.3 0.904 113.2 51.1 -59.1 -43.4 -7.7 -4.0 20.8 8 24 A F H X S+ 0 0 62 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.924 108.3 51.5 -62.1 -41.1 -10.0 -5.5 23.5 9 25 A Q H <>S+ 0 0 87 -4,-2.2 5,-1.7 2,-0.2 6,-0.4 0.830 115.6 39.9 -68.9 -34.3 -12.7 -6.3 20.9 10 26 A T H ><5S+ 0 0 90 -4,-1.8 3,-1.0 3,-0.2 -2,-0.2 0.949 114.9 50.6 -82.0 -42.2 -10.4 -8.1 18.6 11 27 A R H 3<5S+ 0 0 19 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.903 120.2 36.7 -56.0 -47.9 -8.3 -9.9 21.2 12 28 A F T 3<5S- 0 0 0 -4,-2.5 250,-2.0 -5,-0.3 251,-1.0 0.444 101.4-135.9 -90.1 4.4 -11.4 -11.2 22.9 13 29 A N T X 5 + 0 0 18 -3,-1.0 3,-1.8 248,-0.2 -3,-0.2 0.899 34.8 175.9 52.4 44.9 -13.3 -11.7 19.5 14 30 A V T 3 < + 0 0 28 -5,-1.7 -1,-0.1 1,-0.3 -4,-0.1 0.699 67.6 51.0 -69.3 -13.4 -16.3 -10.2 21.1 15 31 A H T 3 S+ 0 0 138 -6,-0.4 -1,-0.3 2,-0.0 -2,-0.1 0.520 80.5 119.7 -96.0 -6.7 -18.5 -10.2 18.0 16 32 A R < - 0 0 38 -3,-1.8 2,-0.3 244,-0.2 224,-0.0 -0.343 36.9-177.3 -68.4 135.3 -18.0 -13.8 17.0 17 33 A E - 0 0 120 -2,-0.1 2,-0.7 243,-0.1 -2,-0.0 -0.911 28.8-109.9-120.5 162.2 -21.0 -16.1 16.7 18 34 A V - 0 0 21 -2,-0.3 280,-0.1 243,-0.0 278,-0.1 -0.785 13.2-152.2-103.6 116.8 -20.8 -19.8 15.9 19 35 A T - 0 0 107 -2,-0.7 2,-0.0 278,-0.1 0, 0.0 -0.586 38.4-114.4 -71.1 125.5 -22.0 -21.4 12.7 20 36 A P - 0 0 88 0, 0.0 2,-0.4 0, 0.0 277,-0.2 -0.304 31.8-175.4 -65.9 144.5 -22.9 -25.0 13.7 21 37 A V B -A 296 0A 48 275,-2.5 275,-2.2 -3,-0.0 2,-0.2 -0.963 18.8-159.5-137.1 110.4 -20.9 -27.9 12.3 22 38 A E - 0 0 168 -2,-0.4 275,-0.0 273,-0.2 0, 0.0 -0.573 8.9-155.2 -98.0 154.8 -22.5 -31.1 13.4 23 39 A L - 0 0 30 -2,-0.2 2,-0.4 306,-0.1 3,-0.3 -0.850 30.4-101.0-116.2 160.5 -21.1 -34.6 13.7 24 40 A P S S+ 0 0 74 0, 0.0 304,-1.2 0, 0.0 0, 0.0 -0.700 94.8 0.5 -78.0 133.3 -22.9 -37.9 13.6 25 41 A N + 0 0 92 -2,-0.4 303,-0.9 1,-0.2 2,-0.5 0.905 69.9 179.0 64.7 72.6 -23.5 -39.4 17.0 26 42 A C E -E 327 0B 38 -3,-0.3 2,-0.4 301,-0.2 301,-0.2 -0.878 3.9-173.8-104.6 132.6 -22.0 -37.3 19.8 27 43 A N E -E 326 0B 93 299,-2.7 299,-2.6 -2,-0.5 2,-0.1 -0.989 25.6-121.6-125.7 129.4 -22.4 -38.5 23.4 28 44 A L E -E 325 0B 73 -2,-0.4 2,-0.6 297,-0.2 297,-0.2 -0.408 36.8-111.9 -59.8 138.9 -21.5 -36.6 26.7 29 45 A V > - 0 0 12 295,-2.3 3,-1.6 3,-0.1 295,-0.2 -0.754 33.4-122.6 -81.5 114.7 -19.0 -38.6 28.7 30 46 A K T 3 S+ 0 0 90 -2,-0.6 41,-0.5 1,-0.2 3,-0.1 -0.449 93.1 24.3 -61.6 130.3 -20.8 -39.8 31.9 31 47 A G T 3 S+ 0 0 61 -2,-0.2 2,-0.7 1,-0.2 -1,-0.2 0.425 90.9 108.3 96.3 0.9 -19.0 -38.6 35.0 32 48 A I < + 0 0 4 -3,-1.6 292,-0.3 1,-0.1 -1,-0.2 -0.897 28.8 130.3-109.8 105.6 -17.2 -35.6 33.6 33 49 A D + 0 0 90 -2,-0.7 290,-0.1 2,-0.2 -1,-0.1 0.424 61.6 55.1-132.0 -3.6 -18.9 -32.5 34.9 34 50 A N S S- 0 0 122 1,-0.5 18,-1.2 -3,-0.2 288,-0.3 -0.160 114.2 -58.4-128.1 36.5 -16.1 -30.3 36.3 35 51 A G - 0 0 1 287,-3.0 -1,-0.5 16,-0.2 285,-0.2 -0.005 27.1-158.5 103.9 148.1 -13.7 -29.8 33.4 36 52 A S + 0 0 0 283,-3.1 15,-0.2 15,-0.1 270,-0.2 -0.286 28.5 166.2-155.2 55.5 -11.6 -31.9 31.1 37 53 A E + 0 0 4 283,-0.4 2,-0.3 13,-0.2 281,-0.1 0.766 62.0 15.8 -62.9 -33.0 -9.1 -29.1 30.1 38 54 A D E +H 50 0C 5 12,-0.7 12,-2.6 51,-0.2 2,-0.3 -0.978 62.9 173.5-141.8 154.4 -6.5 -31.3 28.6 39 55 A L E -H 49 0C 2 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.988 10.7-164.8-156.7 153.2 -6.2 -34.9 27.4 40 56 A E E -H 48 0C 43 8,-2.0 8,-2.8 -2,-0.3 2,-0.5 -0.982 12.1-147.2-145.4 135.8 -3.8 -37.1 25.6 41 57 A I E -H 47 0C 31 -2,-0.3 6,-0.3 6,-0.2 52,-0.1 -0.913 14.3-138.8-109.7 126.0 -4.4 -40.5 23.9 42 58 A L > - 0 0 5 4,-3.5 3,-2.5 -2,-0.5 -2,-0.0 -0.386 31.9-103.2 -72.4 160.6 -1.7 -43.1 23.9 43 59 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.826 122.6 58.7 -55.1 -29.3 -1.1 -45.3 20.7 44 60 A N T 3 S- 0 0 67 2,-0.1 21,-0.1 1,-0.1 3,-0.1 0.356 122.9-104.0 -83.2 6.1 -3.0 -48.1 22.4 45 61 A G S < S+ 0 0 0 -3,-2.5 19,-2.6 1,-0.3 2,-0.4 0.441 75.0 137.9 87.6 0.1 -6.2 -46.0 22.8 46 62 A L E - I 0 63C 9 17,-0.2 -4,-3.5 18,-0.1 2,-0.5 -0.679 38.8-156.7 -76.5 133.4 -5.8 -45.3 26.5 47 63 A A E -HI 41 62C 0 15,-2.8 15,-1.9 -2,-0.4 2,-0.4 -0.938 7.0-154.9-116.4 126.2 -6.8 -41.6 27.1 48 64 A F E -HI 40 61C 0 -8,-2.8 -8,-2.0 -2,-0.5 2,-0.4 -0.809 13.5-170.5 -94.2 142.2 -5.6 -39.5 30.1 49 65 A I E -HI 39 60C 0 11,-2.6 11,-3.4 -2,-0.4 2,-0.4 -0.991 13.6-146.5-135.4 127.0 -7.8 -36.6 31.0 50 66 A S E +HI 38 59C 0 -12,-2.6 -12,-0.7 -2,-0.4 2,-0.3 -0.750 30.6 172.5 -89.9 142.9 -7.0 -33.8 33.5 51 67 A S E + I 0 58C 10 7,-2.4 7,-2.3 -2,-0.4 -16,-0.2 -0.984 40.0 46.6-147.6 162.3 -10.0 -32.4 35.4 52 68 A G + 0 0 8 -18,-1.2 2,-0.2 -2,-0.3 -17,-0.2 0.748 63.2 178.7 81.5 25.4 -11.2 -30.2 38.2 53 69 A L 0 0 34 267,-0.4 -1,-0.2 -19,-0.2 36,-0.1 -0.434 360.0 360.0 -60.9 129.5 -9.1 -27.2 37.2 54 70 A K 0 0 146 -2,-0.2 54,-0.0 54,-0.1 3,-0.0 -0.977 360.0 360.0-121.7 360.0 -9.6 -24.1 39.4 55 ! 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 56 82 A S 0 0 120 0, 0.0 2,-0.1 0, 0.0 31,-0.1 0.000 360.0 360.0 360.0 153.1 -11.1 -31.4 43.5 57 83 A G + 0 0 14 29,-1.1 2,-0.3 26,-0.2 -5,-0.2 -0.400 360.0 164.9 -82.0 142.1 -8.4 -32.2 40.8 58 84 A K E -I 51 0C 65 -7,-2.3 -7,-2.4 -2,-0.1 2,-0.5 -0.987 36.5-131.8-146.1 159.1 -8.1 -35.6 39.2 59 85 A I E -I 50 0C 2 15,-0.4 15,-2.7 -2,-0.3 2,-0.3 -0.957 33.4-159.9-111.3 124.8 -6.5 -37.4 36.3 60 86 A L E -IJ 49 73C 13 -11,-3.4 -11,-2.6 -2,-0.5 2,-0.4 -0.765 4.6-148.5-102.5 159.6 -9.1 -39.6 34.6 61 87 A L E -IJ 48 72C 14 11,-2.8 11,-2.4 -2,-0.3 2,-0.4 -0.981 12.5-178.6-130.1 131.6 -8.6 -42.6 32.3 62 88 A M E -IJ 47 71C 2 -15,-1.9 -15,-2.8 -2,-0.4 2,-0.9 -0.999 22.3-142.4-122.7 144.0 -10.8 -43.8 29.3 63 89 A D E > -I 46 0C 51 7,-0.6 3,-1.8 -2,-0.4 -17,-0.2 -0.856 13.9-168.7-104.3 105.5 -10.1 -46.9 27.2 64 90 A L T 3 S+ 0 0 9 -19,-2.6 -1,-0.1 -2,-0.9 -18,-0.1 0.397 78.8 74.5 -77.8 -2.2 -11.2 -45.7 23.8 65 91 A N T 3 S+ 0 0 90 -20,-0.1 -1,-0.3 -21,-0.1 2,-0.1 0.668 79.8 94.5 -77.0 -17.9 -11.0 -49.3 22.4 66 92 A E S < S- 0 0 91 -3,-1.8 -4,-0.0 1,-0.1 0, 0.0 -0.454 83.4-127.2 -73.8 149.5 -14.3 -49.9 24.3 67 93 A K S S+ 0 0 112 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.944 107.8 12.8 -63.7 -47.5 -17.6 -49.5 22.4 68 94 A E S S- 0 0 116 -3,-0.0 -1,-0.3 2,-0.0 -4,-0.1 -0.681 94.8-150.3-127.3 78.4 -19.0 -47.1 25.0 69 95 A P - 0 0 13 0, 0.0 2,-0.3 0, 0.0 -5,-0.1 -0.171 4.8-150.1 -59.8 128.7 -15.8 -46.2 27.1 70 96 A A - 0 0 69 -7,-0.1 -7,-0.6 -41,-0.1 2,-0.4 -0.689 15.3-122.1 -89.5 153.1 -16.4 -45.4 30.8 71 97 A V E -J 62 0C 33 -41,-0.5 2,-0.3 -2,-0.3 -9,-0.2 -0.784 25.5-170.3 -90.8 139.4 -14.1 -43.0 32.7 72 98 A S E -J 61 0C 56 -11,-2.4 -11,-2.8 -2,-0.4 2,-0.5 -0.950 25.9-117.2-122.7 154.0 -12.3 -44.0 35.8 73 99 A E E -J 60 0C 115 -2,-0.3 2,-0.2 -13,-0.2 -13,-0.2 -0.764 31.0-130.1 -84.0 127.1 -10.4 -41.8 38.3 74 100 A L - 0 0 3 -15,-2.7 2,-0.5 -2,-0.5 -15,-0.4 -0.579 19.4-124.8 -77.3 140.4 -6.7 -42.8 38.4 75 101 A E E -k 126 0D 128 50,-1.5 52,-3.0 -2,-0.2 2,-0.5 -0.743 18.3-146.7 -86.9 127.5 -5.3 -43.4 41.9 76 102 A I E +k 127 0D 36 -2,-0.5 2,-0.3 50,-0.2 52,-0.2 -0.827 22.4 179.9 -92.0 126.8 -2.3 -41.3 42.6 77 103 A I E +k 128 0D 58 50,-2.8 52,-2.5 -2,-0.5 2,-0.2 -0.880 28.4 76.9-121.6 163.1 0.2 -43.0 45.0 78 104 A G - 0 0 38 -2,-0.3 3,-0.1 50,-0.2 52,-0.1 -0.538 67.2-111.5 123.2 166.2 3.6 -41.9 46.4 79 105 A N S S+ 0 0 172 50,-0.2 -1,-0.1 -2,-0.2 51,-0.1 0.305 98.5 78.8-116.6 8.3 4.7 -39.6 49.2 80 106 A T S S+ 0 0 89 49,-0.2 2,-0.4 -3,-0.1 -1,-0.1 0.504 87.7 64.5 -96.5 2.5 6.3 -36.9 47.1 81 107 A L - 0 0 24 -3,-0.1 2,-0.9 48,-0.1 3,-0.1 -0.971 67.9-143.8-129.4 137.5 3.0 -35.2 46.2 82 108 A D > - 0 0 94 -2,-0.4 3,-1.2 1,-0.2 4,-0.1 -0.796 16.1-173.0 -97.1 102.5 0.4 -33.4 48.2 83 109 A I G > S+ 0 0 107 -2,-0.9 3,-1.6 1,-0.3 -26,-0.2 0.692 72.4 77.3 -70.3 -17.9 -2.9 -34.4 46.6 84 110 A S G 3 S+ 0 0 96 1,-0.3 -1,-0.3 -3,-0.1 -27,-0.1 0.753 105.7 34.2 -71.8 -19.9 -5.0 -32.0 48.7 85 111 A S G < S+ 0 0 45 -3,-1.2 -1,-0.3 24,-0.1 25,-0.2 0.268 84.8 138.8-109.6 9.3 -3.8 -29.1 46.6 86 112 A F < + 0 0 11 -3,-1.6 -29,-1.1 -29,-0.1 -3,-0.1 -0.377 17.9 165.0 -62.3 123.4 -3.7 -31.1 43.3 87 113 A N - 0 0 17 -2,-0.1 21,-1.8 -31,-0.1 2,-0.1 -0.737 20.2-160.2-144.3 78.0 -5.1 -28.8 40.6 88 114 A P E +L 107 0D 0 0, 0.0 19,-0.2 0, 0.0 -51,-0.2 -0.447 20.9 160.5 -82.6 151.5 -4.1 -30.2 37.2 89 115 A H E + 0 0 17 17,-2.5 -51,-0.2 1,-0.5 -39,-0.1 0.124 56.8 11.9-131.9-116.4 -4.0 -28.2 34.0 90 116 A G E - 0 0 0 52,-1.3 16,-3.2 51,-0.2 -1,-0.5 -0.266 66.9-168.2 -69.1 152.6 -2.1 -29.2 30.8 91 117 A I E -L 105 0D 2 14,-0.2 2,-0.3 53,-0.1 14,-0.2 -0.927 12.1-178.0-130.3 169.6 -0.6 -32.7 30.4 92 118 A S E -L 104 0D 4 12,-2.4 12,-3.4 -2,-0.3 2,-0.3 -0.984 14.2-141.5-158.6 159.8 1.7 -34.5 28.2 93 119 A T E -L 103 0D 18 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.874 7.5-166.4-122.3 158.3 3.0 -38.1 27.9 94 120 A F E -L 102 0D 49 8,-2.4 8,-3.2 -2,-0.3 2,-0.6 -0.975 7.8-155.5-142.8 131.1 6.3 -39.7 27.1 95 121 A I E -L 101 0D 67 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.916 18.5-145.8-109.0 115.8 7.0 -43.3 26.3 96 122 A D > - 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