==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-OCT-12 4HHQ . COMPND 2 MOLECULE: SERUM PARAOXONASE BY DIRECTED EVOLUTION; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; . AUTHOR B.-D.MOSHE,W.GRZEGORZ,E.MIKAEL,S.ISRAEL,L.S.JOEL,DAN S.T. . 323 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14224.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 216 66.9 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 . 127 39.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 1 0 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 1 1 3 3 6 4 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 20 A Q > 0 0 206 0, 0.0 4,-1.2 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -45.9 7.4 -0.1 12.6 2 21 A K H > + 0 0 94 2,-0.2 4,-1.8 3,-0.1 5,-0.1 0.803 360.0 53.7 -74.5 -33.0 11.2 -0.9 12.4 3 22 A S H > S+ 0 0 75 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.918 107.2 45.7 -63.6 -49.7 10.4 -1.9 16.0 4 23 A S H > S+ 0 0 57 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.851 111.2 54.8 -65.3 -32.2 7.5 -4.3 15.1 5 24 A F H X S+ 0 0 61 -4,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.908 108.7 49.0 -63.2 -39.2 9.7 -5.7 12.3 6 25 A Q H <>S+ 0 0 82 -4,-1.8 5,-1.9 2,-0.2 6,-0.4 0.860 116.4 40.6 -69.3 -39.7 12.4 -6.5 14.9 7 26 A T H ><5S+ 0 0 83 -4,-2.0 3,-0.8 3,-0.2 -2,-0.2 0.946 115.4 50.1 -77.2 -42.2 10.1 -8.1 17.3 8 27 A R H 3<5S+ 0 0 21 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.920 119.7 37.1 -62.0 -49.4 8.1 -10.0 14.7 9 28 A F T 3<5S- 0 0 0 -4,-2.5 248,-2.1 -5,-0.2 249,-1.0 0.413 102.0-134.1 -86.3 4.3 11.2 -11.4 13.0 10 29 A N T X 5 + 0 0 18 -3,-0.8 3,-1.6 -4,-0.3 -3,-0.2 0.922 35.5 177.2 51.4 45.7 13.0 -11.8 16.4 11 30 A V T 3 < + 0 0 29 -5,-1.9 -1,-0.1 1,-0.3 -4,-0.1 0.716 68.5 50.2 -64.5 -17.8 16.1 -10.2 14.7 12 31 A H T 3 S+ 0 0 141 -6,-0.4 -1,-0.3 2,-0.0 -2,-0.1 0.578 81.8 118.1 -93.3 -6.9 18.2 -10.3 17.9 13 32 A R < + 0 0 36 -3,-1.6 2,-0.3 242,-0.2 222,-0.0 -0.300 35.4 178.9 -74.2 141.7 17.8 -13.9 19.0 14 33 A E - 0 0 118 241,-0.1 2,-0.7 -2,-0.0 -2,-0.0 -0.938 29.9-106.9-133.1 163.7 20.7 -16.3 19.2 15 34 A V - 0 0 21 -2,-0.3 278,-0.1 241,-0.0 276,-0.1 -0.776 12.7-153.3-108.6 115.6 20.6 -19.9 20.2 16 35 A T - 0 0 109 -2,-0.7 2,-0.0 276,-0.1 0, 0.0 -0.563 40.6-112.0 -68.0 127.7 21.8 -21.3 23.5 17 36 A P - 0 0 84 0, 0.0 2,-0.4 0, 0.0 275,-0.2 -0.325 32.8-176.8 -66.6 147.0 22.6 -25.0 22.6 18 37 A V B -A 291 0A 50 273,-2.6 273,-2.4 -3,-0.0 2,-0.2 -0.941 19.1-159.0-135.5 122.1 20.7 -27.8 23.9 19 38 A E - 0 0 164 -2,-0.4 3,-0.0 271,-0.2 273,-0.0 -0.578 10.6-148.7-107.2 157.2 22.2 -31.1 22.9 20 39 A L - 0 0 27 -2,-0.2 3,-0.3 1,-0.1 304,-0.1 -0.944 27.2-114.4-120.6 152.8 20.8 -34.6 22.6 21 40 A P S S+ 0 0 101 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.837 96.3 10.2 -52.0 -56.6 22.9 -37.8 23.1 22 41 A N S S+ 0 0 80 301,-0.3 301,-0.8 -3,-0.0 2,-0.5 -0.792 70.5 168.6-140.3 89.3 22.9 -39.5 19.6 23 42 A a E -E 322 0B 36 -2,-0.3 2,-0.4 -3,-0.3 299,-0.3 -0.878 8.7-173.9-109.0 128.1 21.6 -37.5 16.6 24 43 A N E -E 321 0B 90 297,-3.4 297,-2.7 -2,-0.5 2,-0.1 -0.997 27.6-120.3-122.7 135.3 22.1 -38.6 13.0 25 44 A L E -E 320 0B 76 -2,-0.4 2,-0.5 295,-0.2 295,-0.2 -0.432 37.3-115.0 -58.4 136.4 21.3 -36.9 9.8 26 45 A V > - 0 0 11 293,-2.0 3,-1.5 3,-0.1 293,-0.3 -0.729 32.3-123.0 -83.5 121.4 18.8 -39.1 7.8 27 46 A K T 3 S+ 0 0 88 -2,-0.5 39,-0.7 1,-0.2 3,-0.1 -0.387 93.9 30.2 -68.3 135.7 20.6 -40.1 4.6 28 47 A G T 3 S+ 0 0 60 1,-0.1 2,-0.6 -2,-0.1 -1,-0.2 0.474 90.4 105.1 94.4 0.4 18.7 -39.1 1.5 29 48 A I < + 0 0 4 -3,-1.5 290,-0.4 1,-0.1 -1,-0.1 -0.907 30.0 128.9-114.5 107.2 17.0 -36.0 2.8 30 49 A D + 0 0 89 -2,-0.6 -1,-0.1 2,-0.2 288,-0.1 0.445 63.0 53.6-133.3 -5.3 18.8 -32.9 1.5 31 50 A N S S- 0 0 130 1,-0.5 286,-0.2 -3,-0.2 287,-0.2 -0.070 115.2 -54.4-130.0 34.0 16.2 -30.7 0.0 32 51 A G - 0 0 2 285,-3.0 -1,-0.5 1,-0.1 283,-0.2 -0.047 27.8-160.1 110.8 146.7 13.6 -30.1 2.8 33 52 A S + 0 0 0 281,-3.0 15,-0.2 285,-0.2 268,-0.2 -0.318 27.7 170.0-151.9 58.5 11.4 -32.2 5.1 34 53 A E + 0 0 27 281,-0.4 2,-0.3 279,-0.2 279,-0.1 0.726 61.4 7.4 -54.5 -34.9 8.9 -29.4 5.9 35 54 A D E +H 47 0C 5 12,-0.7 12,-2.5 49,-0.2 2,-0.3 -0.967 63.5 177.7-149.2 157.6 6.3 -31.5 7.7 36 55 A L E -H 46 0C 2 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.978 9.5-163.2-158.8 155.0 6.0 -35.1 8.9 37 56 A E E -H 45 0C 42 8,-2.0 8,-2.9 -2,-0.3 2,-0.5 -0.992 11.4-145.9-147.3 141.7 3.6 -37.2 10.7 38 57 A I E -H 44 0C 33 -2,-0.3 6,-0.3 6,-0.2 267,-0.1 -0.946 13.8-138.2-116.6 123.0 4.1 -40.6 12.4 39 58 A L > - 0 0 7 4,-3.2 3,-2.2 -2,-0.5 -2,-0.0 -0.260 32.0-104.1 -70.7 159.3 1.4 -43.3 12.5 40 59 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.787 122.2 58.0 -51.8 -26.6 0.8 -45.4 15.7 41 60 A N T 3 S- 0 0 71 2,-0.1 19,-0.1 1,-0.1 -2,-0.1 0.273 124.0-102.2 -92.3 8.6 2.6 -48.3 14.2 42 61 A G S < S+ 0 0 0 -3,-2.2 17,-2.8 1,-0.3 2,-0.4 0.485 75.5 136.3 86.3 1.6 5.8 -46.2 13.7 43 62 A L E - I 0 58C 8 15,-0.2 -4,-3.2 16,-0.1 2,-0.4 -0.710 38.6-157.4 -79.7 134.7 5.6 -45.4 9.9 44 63 A A E -HI 38 57C 0 13,-3.0 13,-1.9 -2,-0.4 2,-0.4 -0.948 7.4-154.5-119.0 129.6 6.4 -41.8 9.3 45 64 A F E -HI 37 56C 0 -8,-2.9 -8,-2.0 -2,-0.4 2,-0.4 -0.829 13.6-171.6 -97.4 139.9 5.4 -39.7 6.3 46 65 A I E -HI 36 55C 0 9,-2.5 9,-3.0 -2,-0.4 2,-0.3 -0.994 11.2-146.6-134.0 131.2 7.6 -36.8 5.3 47 66 A S E -HI 35 54C 0 -12,-2.5 -12,-0.7 -2,-0.4 2,-0.4 -0.744 7.0-165.3 -94.2 148.9 6.8 -34.1 2.8 48 67 A S E I 0 53C 10 5,-2.4 5,-2.9 -2,-0.3 -16,-0.1 -0.913 360.0 360.0-136.3 106.6 9.5 -32.5 0.7 49 68 A G 0 0 51 -2,-0.4 35,-0.1 266,-0.3 4,-0.1 0.692 360.0 360.0 -80.4 360.0 8.5 -29.2 -1.2 50 ! 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 51 82 A S 0 0 111 0, 0.0 2,-0.3 0, 0.0 31,-0.1 0.000 360.0 360.0 360.0 148.3 10.6 -32.9 -7.6 52 83 A G - 0 0 18 29,-0.6 2,-0.3 26,-0.3 -3,-0.2 -0.700 360.0-179.9 -76.8 144.2 8.0 -32.4 -4.7 53 84 A K E -I 48 0C 60 -5,-2.9 -5,-2.4 -2,-0.3 2,-0.5 -0.979 38.8-138.4-146.1 162.4 7.8 -35.8 -2.8 54 85 A I E -I 47 0C 2 15,-0.4 15,-2.9 -2,-0.3 2,-0.3 -0.988 31.0-164.1-116.2 129.4 6.4 -37.8 0.1 55 86 A L E -IJ 46 68C 14 -9,-3.0 -9,-2.5 -2,-0.5 2,-0.4 -0.724 4.7-148.4-112.1 154.4 9.0 -39.9 1.8 56 87 A L E -IJ 45 67C 14 11,-2.8 11,-2.7 -2,-0.3 2,-0.4 -0.990 12.3-177.3-129.2 138.6 8.4 -42.8 4.1 57 88 A M E -I 44 0C 2 -13,-1.9 -13,-3.0 -2,-0.4 2,-0.9 -0.995 22.0-143.2-130.9 134.3 10.5 -44.1 7.2 58 89 A D E > -I 43 0C 55 7,-0.5 3,-1.6 -2,-0.4 -15,-0.2 -0.882 14.6-167.1 -95.0 102.8 9.8 -47.1 9.3 59 90 A L T 3 S+ 0 0 9 -17,-2.8 -16,-0.1 -2,-0.9 -1,-0.1 0.446 78.6 74.1 -76.0 0.7 10.9 -45.9 12.7 60 91 A N T 3 S+ 0 0 91 -18,-0.2 -1,-0.3 -19,-0.1 2,-0.1 0.702 80.6 89.7 -80.5 -21.0 10.8 -49.4 14.2 61 92 A E S < S- 0 0 85 -3,-1.6 -4,-0.0 1,-0.1 0, 0.0 -0.397 86.3-124.3 -73.0 157.2 14.1 -50.2 12.2 62 93 A K S S+ 0 0 97 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.885 105.7 17.0 -77.5 -40.7 17.3 -49.4 14.1 63 94 A E S S- 0 0 174 -37,-0.0 -1,-0.3 2,-0.0 2,-0.1 -0.810 91.9-150.9-123.6 86.5 18.7 -47.1 11.4 64 95 A P - 0 0 15 0, 0.0 2,-0.3 0, 0.0 -5,-0.1 -0.406 5.8-154.5 -68.6 134.7 15.6 -46.2 9.3 65 96 A A - 0 0 70 -2,-0.1 -7,-0.5 -7,-0.1 2,-0.5 -0.726 17.9-118.6 -93.9 148.2 16.3 -45.5 5.7 66 97 A V - 0 0 32 -39,-0.7 2,-0.4 -2,-0.3 -9,-0.2 -0.822 24.6-166.5 -88.4 134.5 13.9 -43.2 3.7 67 98 A S E -J 56 0C 48 -11,-2.7 -11,-2.8 -2,-0.5 2,-0.5 -0.911 23.8-120.1-113.1 151.5 12.1 -44.4 0.6 68 99 A E E -J 55 0C 114 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.720 29.6-130.5 -81.3 123.6 10.3 -42.2 -1.9 69 100 A L - 0 0 6 -15,-2.9 2,-0.5 -2,-0.5 -15,-0.4 -0.609 17.7-128.1 -77.7 136.5 6.5 -43.1 -2.1 70 101 A E E -k 121 0D 129 50,-1.3 52,-3.2 -2,-0.3 2,-0.5 -0.698 17.8-146.6 -80.2 127.9 5.2 -43.6 -5.5 71 102 A I E -k 122 0D 36 -2,-0.5 2,-0.3 50,-0.2 52,-0.2 -0.844 21.8-176.5 -91.1 129.6 2.1 -41.6 -6.3 72 103 A I E +k 123 0D 60 50,-3.2 52,-2.6 -2,-0.5 2,-0.2 -0.926 28.1 71.4-123.3 160.0 -0.3 -43.3 -8.6 73 104 A G - 0 0 37 -2,-0.3 3,-0.2 50,-0.2 52,-0.1 -0.590 68.4-105.3 130.7 173.4 -3.6 -42.3 -10.2 74 105 A N S S+ 0 0 173 50,-0.2 -1,-0.1 -2,-0.2 51,-0.1 0.377 99.3 78.2-115.3 7.9 -4.9 -40.0 -13.0 75 106 A T S S+ 0 0 89 49,-0.2 2,-0.4 -3,-0.1 -1,-0.1 0.478 87.9 62.4 -92.4 0.9 -6.4 -37.2 -10.9 76 107 A L - 0 0 25 -3,-0.2 2,-0.9 48,-0.1 3,-0.1 -0.975 68.9-141.5-129.8 131.9 -3.1 -35.5 -10.0 77 108 A D > - 0 0 95 -2,-0.4 3,-1.2 1,-0.2 4,-0.3 -0.811 15.4-169.9 -86.7 102.9 -0.4 -33.8 -12.1 78 109 A I G > S+ 0 0 87 -2,-0.9 3,-1.8 1,-0.2 -26,-0.3 0.808 75.8 74.8 -57.7 -27.8 2.9 -34.9 -10.4 79 110 A S G 3 S+ 0 0 102 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.0 0.725 106.3 32.5 -72.1 -17.8 4.9 -32.4 -12.4 80 111 A S G < S+ 0 0 44 -3,-1.2 -1,-0.3 24,-0.1 25,-0.3 0.288 86.3 135.4-113.0 10.3 3.6 -29.5 -10.4 81 112 A F < + 0 0 9 -3,-1.8 -29,-0.6 -4,-0.3 -3,-0.1 -0.339 20.3 165.8 -59.8 121.8 3.3 -31.4 -7.1 82 113 A N - 0 0 46 -2,-0.1 21,-1.6 -30,-0.1 -33,-0.2 -0.643 20.3-158.3-144.2 77.1 4.8 -29.1 -4.4 83 114 A P E +L 102 0D 1 0, 0.0 19,-0.2 0, 0.0 -49,-0.1 -0.292 20.5 164.7 -72.2 150.9 3.8 -30.4 -1.0 84 115 A Q E + 0 0 56 17,-2.7 -49,-0.2 1,-0.6 54,-0.1 0.089 58.5 8.9-126.1-114.3 3.7 -28.4 2.3 85 116 A G E - 0 0 1 52,-1.6 16,-2.9 51,-0.1 -1,-0.6 -0.265 65.1-164.2 -70.6 162.5 1.9 -29.5 5.4 86 117 A I E -L 100 0D 1 14,-0.2 53,-0.3 53,-0.1 2,-0.3 -0.823 11.1-179.5-135.5 168.5 0.4 -33.0 5.8 87 118 A S E -L 99 0D 3 12,-1.7 12,-2.6 -2,-0.3 2,-0.3 -0.945 15.9-140.3-162.3 157.1 -2.0 -34.8 8.1 88 119 A T E -L 98 0D 19 -2,-0.3 2,-0.4 10,-0.2 53,-0.3 -0.906 7.1-165.3-123.5 156.9 -3.3 -38.4 8.3 89 120 A F E -L 97 0D 48 8,-2.3 8,-3.1 -2,-0.3 2,-0.6 -0.976 7.6-156.7-139.1 125.5 -6.7 -39.8 9.0 90 121 A I E -L 96 0D 68 -2,-0.4 6,-0.2 6,-0.2 -2,-0.0 -0.935 19.4-146.0-105.7 117.7 -7.2 -43.5 9.9 91 122 A D > - 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