==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-SEP-06 2IAQ . COMPND 2 MOLECULE: DIISOPROPYLFLUOROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LOLIGO VULGARIS; . AUTHOR E.I.SCHARFF,J.KOEPKE,G.FRITZSCH,C.LUECKE,H.RUETERJANS . 312 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13384.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 132 42.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 . 37 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 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 RESIDUES PER ALPHA HELIX . 1 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 0 PARALLEL BRIDGES PER LADDER . 4 2 3 3 7 4 1 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 . 2 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 3 A I 0 0 111 0, 0.0 258,-0.1 0, 0.0 257,-0.1 0.000 360.0 360.0 360.0 120.9 11.0 -21.3 0.9 2 4 A P - 0 0 82 0, 0.0 258,-2.0 0, 0.0 2,-0.4 -0.319 360.0-158.6 -61.5 136.7 12.7 -23.6 3.5 3 5 A V E -a 260 0A 67 256,-0.2 2,-0.3 258,-0.1 258,-0.2 -0.972 4.6-162.0-121.3 132.0 11.2 -23.4 7.0 4 6 A I E -a 261 0A 47 256,-2.3 258,-2.4 -2,-0.4 255,-0.0 -0.810 7.4-155.9-109.1 155.0 12.9 -24.3 10.3 5 7 A E - 0 0 158 -2,-0.3 258,-0.1 256,-0.2 256,-0.1 -0.665 19.3-177.1-130.8 76.1 11.1 -25.0 13.6 6 8 A P - 0 0 29 0, 0.0 2,-0.5 0, 0.0 289,-0.0 -0.289 39.6 -88.3 -71.0 159.4 13.6 -24.4 16.4 7 9 A L - 0 0 145 287,-0.1 2,-0.5 256,-0.1 287,-0.4 -0.588 39.1-150.7 -72.7 120.5 12.7 -25.1 20.0 8 10 A F - 0 0 18 -2,-0.5 2,-0.5 285,-0.1 285,-0.2 -0.827 9.8-158.4 -95.2 126.0 11.1 -22.0 21.6 9 11 A T E -E 292 0B 59 283,-3.2 283,-1.4 -2,-0.5 2,-0.1 -0.905 21.1-114.2-108.9 130.6 11.7 -21.7 25.4 10 12 A K E +E 291 0B 79 -2,-0.5 281,-0.2 281,-0.2 3,-0.1 -0.355 35.2 170.9 -63.3 132.5 9.5 -19.6 27.6 11 13 A V E - 0 0 19 279,-2.9 2,-0.3 1,-0.4 280,-0.2 0.788 61.8 -20.9-107.1 -55.3 11.2 -16.6 29.2 12 14 A T E -E 290 0B 7 278,-1.3 278,-2.7 37,-0.0 -1,-0.4 -0.981 60.4-143.2-155.2 160.0 8.5 -14.5 30.9 13 15 A E + 0 0 99 41,-0.3 276,-0.2 -2,-0.3 275,-0.1 -0.755 60.2 34.9-127.5 171.7 4.7 -14.1 30.7 14 16 A D + 0 0 119 273,-0.5 275,-0.2 -2,-0.2 -1,-0.2 0.917 59.2 145.5 52.7 60.3 1.9 -11.6 30.9 15 17 A I > - 0 0 2 273,-2.7 3,-2.5 272,-0.2 2,-0.2 -0.920 50.9-126.5-125.2 100.5 3.4 -8.4 29.4 16 18 A P T 3 S- 0 0 54 0, 0.0 19,-1.2 0, 0.0 20,-0.4 -0.272 91.8 -8.4 -50.2 110.5 0.7 -6.4 27.5 17 19 A G T 3 S- 0 0 0 17,-0.2 268,-0.1 -2,-0.2 15,-0.1 0.783 89.9-147.4 68.4 30.3 2.1 -5.9 24.0 18 20 A A < + 0 0 0 -3,-2.5 2,-0.2 266,-0.2 15,-0.2 0.078 36.4 151.5 -31.8 118.3 5.5 -7.2 25.0 19 21 A E E +H 32 0C 7 13,-2.6 13,-2.9 1,-0.1 54,-0.2 -0.839 29.2 42.3-146.4-178.9 8.0 -5.2 22.9 20 22 A G E - 0 0 1 52,-0.9 -1,-0.1 -2,-0.2 53,-0.1 0.783 60.5-163.8 44.0 49.1 11.5 -3.7 22.5 21 23 A P E + 0 0 3 0, 0.0 2,-0.3 0, 0.0 10,-0.2 -0.367 22.2 162.5 -61.0 135.1 13.6 -6.7 23.9 22 24 A V E -H 30 0C 0 8,-2.0 8,-3.0 250,-0.1 2,-0.4 -0.997 35.3-143.8-157.6 151.0 17.0 -5.4 24.7 23 25 A F E -H 29 0C 3 -2,-0.3 6,-0.2 6,-0.2 53,-0.2 -0.939 21.1-147.6-114.3 137.5 20.3 -6.1 26.6 24 26 A D > - 0 0 4 4,-2.0 3,-1.5 -2,-0.4 57,-0.1 -0.269 40.1 -82.1 -91.4-171.5 22.3 -3.4 28.2 25 27 A K T 3 S+ 0 0 85 1,-0.3 56,-0.0 52,-0.2 -1,-0.0 0.659 128.7 50.8 -66.9 -19.7 26.1 -3.2 28.7 26 28 A N T 3 S- 0 0 125 2,-0.1 -1,-0.3 0, 0.0 55,-0.0 0.304 120.6-104.8 -99.4 5.7 26.0 -5.5 31.8 27 29 A G < + 0 0 39 -3,-1.5 2,-0.2 1,-0.3 -2,-0.1 0.558 69.7 149.2 84.5 6.2 24.0 -8.1 30.1 28 30 A D - 0 0 64 1,-0.0 -4,-2.0 22,-0.0 2,-0.4 -0.506 41.2-130.8 -73.7 146.6 20.7 -7.3 31.9 29 31 A F E -HI 23 49C 1 20,-0.7 20,-2.9 -6,-0.2 2,-0.3 -0.836 23.7-173.2-104.8 136.3 17.5 -7.9 29.9 30 32 A Y E -HI 22 48C 1 -8,-3.0 -8,-2.0 -2,-0.4 2,-0.3 -0.927 8.4-177.0-129.2 152.0 14.7 -5.5 29.3 31 33 A I E - I 0 47C 0 16,-2.3 16,-3.3 -2,-0.3 2,-0.4 -0.972 18.3-137.1-141.0 148.0 11.2 -5.5 27.8 32 34 A V E -HI 19 46C 0 -13,-2.9 -13,-2.6 -2,-0.3 14,-0.2 -0.884 1.6-155.3-111.7 145.0 8.6 -2.8 27.3 33 35 A A E > + I 0 45C 1 12,-3.3 12,-1.9 -2,-0.4 3,-1.0 -0.772 21.8 167.4-116.9 80.9 4.9 -3.1 27.9 34 36 A P T 3 S+ 0 0 10 0, 0.0 9,-0.3 0, 0.0 10,-0.2 0.838 70.2 58.6 -63.5 -35.8 3.3 -0.4 25.7 35 37 A E T 3 S+ 0 0 101 -19,-1.2 2,-0.3 7,-0.1 -18,-0.2 0.336 72.6 118.4 -81.8 7.2 -0.3 -1.7 26.0 36 38 A V < + 0 0 24 -3,-1.0 7,-2.4 -20,-0.4 2,-0.3 -0.594 43.5 178.0 -74.3 127.5 -0.5 -1.4 29.8 37 39 A E E -K 42 0D 123 -2,-0.3 2,-0.5 5,-0.2 -2,-0.0 -0.970 26.5-150.3-137.0 150.9 -3.3 1.1 30.6 38 40 A V E > S-K 41 0D 73 3,-2.4 3,-2.0 -2,-0.3 -2,-0.0 -0.990 84.5 -14.9-120.2 120.5 -5.0 2.5 33.7 39 41 A N T 3 S- 0 0 154 -2,-0.5 -1,-0.1 1,-0.3 0, 0.0 0.856 129.1 -53.1 55.9 40.2 -8.6 3.6 33.5 40 42 A G T 3 S+ 0 0 59 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.426 117.2 114.8 78.2 -1.8 -8.5 3.6 29.7 41 43 A K E < S-K 38 0D 146 -3,-2.0 -3,-2.4 1,-0.1 -1,-0.3 -0.774 77.0 -95.4-103.3 147.9 -5.4 5.8 29.7 42 44 A P E +K 37 0D 43 0, 0.0 26,-0.4 0, 0.0 -5,-0.2 -0.313 46.2 161.5 -60.6 134.3 -1.9 4.9 28.5 43 45 A A - 0 0 11 -7,-2.4 27,-0.1 -9,-0.3 -6,-0.1 -0.306 19.5-178.7-150.3 52.2 0.4 3.8 31.4 44 46 A G - 0 0 0 25,-2.4 25,-0.3 -10,-0.2 2,-0.3 -0.166 10.0-148.1 -58.2 151.4 3.1 1.9 29.5 45 47 A E E -I 33 0C 38 -12,-1.9 -12,-3.3 26,-0.2 2,-0.5 -0.874 14.6-148.4-127.6 156.2 6.0 0.3 31.4 46 48 A I E -IJ 32 60C 1 14,-2.8 13,-1.8 -2,-0.3 14,-1.7 -0.992 30.3-168.8-121.2 120.8 9.7 -0.5 31.0 47 49 A L E -IJ 31 58C 6 -16,-3.3 -16,-2.3 -2,-0.5 2,-0.4 -0.856 23.2-143.0-121.1 151.5 10.7 -3.7 32.7 48 50 A R E -IJ 30 57C 58 9,-3.1 9,-2.1 -2,-0.3 2,-0.5 -0.882 23.4-150.1-103.9 136.3 13.8 -5.6 33.7 49 51 A I E -IJ 29 56C 4 -20,-2.9 2,-0.9 -2,-0.4 -20,-0.7 -0.943 11.0-138.5-114.5 128.2 13.6 -9.4 33.4 50 52 A D >> - 0 0 83 5,-2.2 4,-3.5 -2,-0.5 3,-0.5 -0.769 17.3-157.6 -81.7 107.8 15.5 -11.8 35.6 51 53 A L T 34 S+ 0 0 65 -2,-0.9 -1,-0.2 1,-0.2 -23,-0.0 0.690 86.7 54.6 -62.2 -21.2 16.6 -14.4 33.0 52 54 A K T 34 S+ 0 0 198 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.794 126.1 17.7 -84.0 -28.3 17.1 -17.1 35.6 53 55 A T T <4 S- 0 0 88 -3,-0.5 -2,-0.2 2,-0.1 3,-0.1 0.645 91.5-127.3-115.4 -24.7 13.6 -16.8 37.2 54 56 A G < + 0 0 14 -4,-3.5 -41,-0.3 1,-0.3 -3,-0.1 0.476 54.8 154.0 86.6 2.1 11.5 -15.0 34.6 55 57 A K - 0 0 157 -5,-0.3 -5,-2.2 -43,-0.1 2,-0.4 -0.418 36.1-135.7 -68.2 139.1 10.4 -12.5 37.3 56 58 A K E -J 49 0C 84 -7,-0.2 2,-0.4 -2,-0.1 -7,-0.2 -0.763 18.7-174.0-102.3 139.9 9.5 -9.0 36.1 57 59 A T E -J 48 0C 82 -9,-2.1 -9,-3.1 -2,-0.4 2,-0.8 -0.978 19.0-142.8-133.7 116.4 10.5 -5.7 37.6 58 60 A V E +J 47 0C 65 -2,-0.4 -11,-0.3 -11,-0.2 3,-0.1 -0.710 23.8 173.0 -79.6 108.4 9.0 -2.4 36.4 59 61 A I E + 0 0 28 -13,-1.8 2,-0.3 -2,-0.8 -12,-0.2 0.764 66.3 19.1 -88.4 -23.8 11.9 0.1 36.5 60 62 A C E -J 46 0C 7 -14,-1.7 -14,-2.8 2,-0.0 -1,-0.3 -0.993 44.9-176.7-152.1 137.7 10.0 2.9 34.8 61 63 A K - 0 0 91 -2,-0.3 -16,-0.2 -16,-0.2 -17,-0.1 -0.711 36.1-148.1-131.2 73.6 6.4 3.9 34.0 62 64 A P + 0 0 1 0, 0.0 7,-2.6 0, 0.0 2,-0.3 -0.101 27.7 160.9 -52.2 135.3 7.0 7.1 32.0 63 65 A E E -L 68 0E 98 5,-0.3 2,-0.5 -20,-0.1 5,-0.2 -0.955 23.0-157.4-156.3 136.5 4.6 10.0 32.0 64 66 A V E > S-L 67 0E 25 3,-2.3 3,-1.4 -2,-0.3 0, 0.0 -0.961 80.7 -22.0-123.4 108.2 5.0 13.6 31.0 65 67 A N T 3 S- 0 0 135 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.831 130.0 -45.7 62.0 39.1 2.6 16.0 32.6 66 68 A G T 3 S+ 0 0 66 1,-0.2 2,-0.8 0, 0.0 -1,-0.3 0.216 111.8 122.2 91.4 -15.7 0.0 13.3 33.4 67 69 A Y E < -L 64 0E 102 -3,-1.4 -3,-2.3 -26,-0.0 -1,-0.2 -0.738 56.2-142.8 -86.5 111.5 0.3 11.8 29.9 68 70 A G E -L 63 0E 13 -2,-0.8 -5,-0.3 -26,-0.4 -25,-0.2 -0.403 17.4-123.0 -72.1 147.3 1.3 8.2 30.1 69 71 A G - 0 0 0 -7,-2.6 -25,-2.4 -25,-0.3 -1,-0.1 -0.361 6.7-146.5 -89.7 168.4 3.7 6.8 27.6 70 72 A I - 0 0 26 -27,-0.1 18,-3.0 -28,-0.1 2,-0.2 -0.672 24.2-166.2-129.2 69.0 3.5 3.9 25.2 71 73 A P E +M 87 0F 0 0, 0.0 16,-0.3 0, 0.0 -26,-0.2 -0.470 19.9 159.6 -61.3 126.0 7.2 2.7 25.1 72 74 A A E + 0 0 4 14,-3.2 -52,-0.9 1,-0.3 2,-0.3 0.623 50.4 29.6-125.9 -20.0 7.6 0.3 22.2 73 75 A G E -M 86 0F 0 13,-1.4 13,-2.8 -54,-0.2 2,-0.3 -1.000 56.4-164.3-148.0 150.5 11.2 -0.1 21.2 74 76 A C E -M 85 0F 5 -2,-0.3 2,-0.3 11,-0.2 46,-0.2 -0.938 11.7-178.3-137.6 156.9 14.7 0.1 22.7 75 77 A Q E -M 84 0F 8 9,-1.6 9,-3.0 -2,-0.3 2,-0.3 -0.976 28.7-127.4-146.1 137.7 18.4 0.4 21.9 76 78 A C E -M 83 0F 2 -2,-0.3 228,-0.3 7,-0.2 7,-0.2 -0.725 23.9-125.0 -91.1 144.6 21.2 0.3 24.4 77 79 A D - 0 0 17 5,-2.4 -52,-0.2 -2,-0.3 5,-0.1 -0.443 8.7-149.7 -83.0 159.8 23.8 3.2 24.5 78 80 A R S S+ 0 0 38 -2,-0.1 -1,-0.1 3,-0.1 230,-0.1 0.887 90.0 45.6 -95.2 -52.8 27.5 2.5 24.2 79 81 A D S S+ 0 0 91 1,-0.1 2,-0.3 228,-0.1 -1,-0.1 0.637 126.7 21.6 -68.8 -17.1 29.2 5.4 26.1 80 82 A A S S- 0 0 38 2,-0.1 2,-1.7 0, 0.0 -3,-0.2 -0.984 85.1-112.3-149.8 144.6 26.8 5.0 29.1 81 83 A N S S+ 0 0 34 -2,-0.3 16,-0.6 -5,-0.1 2,-0.3 -0.659 72.8 120.9 -82.6 87.0 24.6 2.2 30.2 82 84 A Q E - 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