==== 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 2IAU . 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) . 13241.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 209 67.0 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 . 21 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 0 115 0, 0.0 258,-0.2 0, 0.0 257,-0.1 0.000 360.0 360.0 360.0 128.1 11.0 -21.3 1.0 2 4 A P - 0 0 85 0, 0.0 258,-2.1 0, 0.0 2,-0.4 -0.269 360.0-164.5 -58.0 138.5 13.0 -23.4 3.6 3 5 A V E -a 260 0A 67 256,-0.2 2,-0.3 258,-0.1 258,-0.2 -0.997 4.5-161.7-131.0 128.2 11.4 -23.3 7.1 4 6 A I E -a 261 0A 50 256,-2.2 258,-2.4 -2,-0.4 255,-0.0 -0.759 7.9-153.5-105.5 155.7 13.1 -24.3 10.3 5 7 A E - 0 0 160 -2,-0.3 258,-0.1 256,-0.2 256,-0.1 -0.620 20.3-178.9-129.4 73.7 11.3 -25.2 13.5 6 8 A P - 0 0 31 0, 0.0 2,-0.4 0, 0.0 289,-0.0 -0.295 39.2 -92.6 -70.4 156.3 13.7 -24.5 16.5 7 9 A L - 0 0 142 287,-0.1 2,-0.5 256,-0.1 287,-0.4 -0.583 36.7-149.0 -72.7 124.2 12.7 -25.1 20.1 8 10 A F - 0 0 19 -2,-0.4 2,-0.5 285,-0.1 285,-0.2 -0.872 10.3-159.0 -97.2 127.1 11.2 -22.0 21.7 9 11 A T E -E 292 0B 60 283,-3.0 283,-1.5 -2,-0.5 2,-0.1 -0.924 21.2-115.3-109.8 129.6 11.8 -21.8 25.4 10 12 A K E +E 291 0B 73 -2,-0.5 281,-0.3 281,-0.2 3,-0.1 -0.390 33.5 173.0 -63.9 138.6 9.6 -19.6 27.6 11 13 A V E - 0 0 19 279,-2.8 2,-0.3 1,-0.4 280,-0.2 0.756 60.8 -22.4-110.5 -55.9 11.3 -16.7 29.3 12 14 A T E -E 290 0B 6 278,-1.2 278,-2.5 37,-0.0 -1,-0.4 -0.981 58.2-147.9-156.2 162.8 8.5 -14.6 31.0 13 15 A E + 0 0 94 41,-0.3 276,-0.2 -2,-0.3 275,-0.1 -0.795 58.7 41.0-134.3 173.4 4.8 -14.0 30.7 14 16 A D + 0 0 125 273,-0.8 275,-0.2 -2,-0.3 -1,-0.2 0.910 59.5 143.0 55.2 57.5 2.0 -11.5 31.2 15 17 A I > - 0 0 2 273,-2.5 3,-2.6 272,-0.2 2,-0.2 -0.934 54.0-123.2-125.7 99.5 3.5 -8.3 29.7 16 18 A P T 3 S- 0 0 50 0, 0.0 19,-1.7 0, 0.0 20,-0.4 -0.245 92.8 -6.4 -48.4 109.7 0.8 -6.3 27.9 17 19 A G T 3 S- 0 0 0 268,-0.2 268,-0.1 17,-0.2 15,-0.1 0.773 90.1-145.3 71.4 29.4 2.0 -5.8 24.3 18 20 A A < + 0 0 0 -3,-2.6 2,-0.2 266,-0.2 15,-0.2 0.094 40.6 146.7 -29.7 112.4 5.5 -7.3 25.2 19 21 A E E +H 32 0C 7 13,-2.7 13,-2.9 -3,-0.1 54,-0.2 -0.818 27.8 42.3-144.4-176.3 7.8 -5.3 23.0 20 22 A G E - 0 0 2 52,-1.0 -1,-0.1 -2,-0.2 53,-0.1 0.757 60.9-163.8 39.2 52.4 11.2 -3.8 22.5 21 23 A P E + 0 0 3 0, 0.0 2,-0.3 0, 0.0 53,-0.2 -0.343 19.5 164.0 -64.1 138.9 13.5 -6.6 23.9 22 24 A V E -H 30 0C 0 8,-2.0 8,-3.0 250,-0.1 2,-0.4 -0.995 33.1-142.8-158.1 149.6 17.0 -5.3 24.6 23 25 A F E -H 29 0C 2 -2,-0.3 6,-0.2 6,-0.2 53,-0.2 -0.946 22.5-145.6-112.8 137.0 20.2 -6.2 26.5 24 26 A D > - 0 0 5 4,-2.2 3,-1.7 -2,-0.4 57,-0.1 -0.290 38.2 -84.6 -92.9-176.3 22.2 -3.5 28.2 25 27 A K T 3 S+ 0 0 100 1,-0.3 -1,-0.0 52,-0.1 56,-0.0 0.647 129.3 52.2 -63.4 -15.3 26.0 -3.2 28.7 26 28 A N T 3 S- 0 0 119 2,-0.1 -1,-0.3 55,-0.0 3,-0.1 0.467 120.1-107.2 -98.2 -4.2 25.9 -5.5 31.7 27 29 A G < + 0 0 38 -3,-1.7 2,-0.2 1,-0.3 -2,-0.1 0.580 69.9 149.5 88.1 9.0 24.0 -8.2 29.9 28 30 A D - 0 0 51 22,-0.0 -4,-2.2 1,-0.0 2,-0.4 -0.523 41.9-129.4 -76.1 145.3 20.7 -7.3 31.8 29 31 A F E -HI 23 49C 2 20,-0.6 20,-2.7 -6,-0.2 2,-0.3 -0.851 24.1-173.1-103.1 136.8 17.5 -8.0 29.8 30 32 A Y E -HI 22 48C 0 -8,-3.0 -8,-2.0 -2,-0.4 2,-0.3 -0.941 7.8-176.6-129.8 148.6 14.7 -5.5 29.3 31 33 A I E - I 0 47C 0 16,-2.1 16,-3.4 -2,-0.3 2,-0.4 -0.976 18.5-136.6-139.2 144.8 11.2 -5.6 27.8 32 34 A V E -HI 19 46C 0 -13,-2.9 -13,-2.7 -2,-0.3 14,-0.2 -0.876 2.5-156.7-107.7 141.1 8.6 -2.8 27.3 33 35 A A E > + I 0 45C 0 12,-3.3 12,-2.0 -2,-0.4 3,-1.2 -0.760 19.7 169.6-113.4 79.6 4.9 -3.2 28.0 34 36 A P T 3 S+ 0 0 9 0, 0.0 9,-0.3 0, 0.0 10,-0.2 0.790 71.4 58.7 -61.3 -28.7 3.4 -0.5 25.8 35 37 A E T 3 + 0 0 101 -19,-1.7 2,-0.2 -3,-0.1 -18,-0.2 0.388 67.9 120.5 -89.3 5.1 -0.2 -1.8 26.4 36 38 A V < - 0 0 25 -3,-1.2 7,-2.1 -20,-0.4 2,-0.3 -0.498 45.4-171.7 -67.7 131.2 -0.4 -1.5 30.2 37 39 A E E -K 42 0D 123 5,-0.2 2,-0.5 -2,-0.2 -2,-0.1 -0.952 24.6-153.5-129.5 150.5 -3.4 0.9 30.9 38 40 A V E > S-K 41 0D 72 3,-2.7 3,-1.3 -2,-0.3 -2,-0.0 -0.947 86.4 -22.1-125.8 104.2 -4.8 2.6 34.0 39 41 A N T 3 S- 0 0 168 -2,-0.5 -1,-0.1 1,-0.3 0, 0.0 0.896 126.6 -51.5 61.8 45.6 -8.5 3.3 33.7 40 42 A G T 3 S+ 0 0 60 1,-0.2 -1,-0.3 3,-0.0 3,-0.0 0.242 117.5 109.5 80.4 -13.7 -8.4 3.2 29.9 41 43 A K E < S-K 38 0D 138 -3,-1.3 -3,-2.7 1,-0.1 -1,-0.2 -0.706 79.7 -90.8 -97.2 148.1 -5.4 5.7 29.7 42 44 A P E +K 37 0D 42 0, 0.0 26,-0.5 0, 0.0 -5,-0.2 -0.204 46.6 160.9 -56.8 139.9 -1.8 4.8 28.7 43 45 A A - 0 0 6 -7,-2.1 27,-0.1 -9,-0.3 -6,-0.1 -0.274 22.4-177.4-156.3 50.8 0.5 3.7 31.5 44 46 A G - 0 0 0 25,-2.4 2,-0.3 -10,-0.2 25,-0.3 -0.130 8.7-147.4 -57.9 151.5 3.2 1.9 29.6 45 47 A E E -I 33 0C 34 -12,-2.0 -12,-3.3 26,-0.2 2,-0.5 -0.867 16.9-150.5-128.5 158.3 6.1 0.2 31.3 46 48 A I E -IJ 32 60C 0 14,-2.5 13,-2.0 -2,-0.3 14,-1.8 -0.996 31.4-169.1-123.3 118.1 9.7 -0.6 30.9 47 49 A L E -IJ 31 58C 8 -16,-3.4 -16,-2.1 -2,-0.5 2,-0.4 -0.824 23.1-140.8-118.1 153.0 10.7 -3.7 32.7 48 50 A R E -IJ 30 57C 74 9,-3.6 9,-1.9 -2,-0.3 2,-0.5 -0.917 22.5-151.5-105.3 134.4 13.8 -5.6 33.7 49 51 A I E -IJ 29 56C 5 -20,-2.7 2,-1.0 -2,-0.4 -20,-0.6 -0.941 11.2-138.8-112.3 125.5 13.6 -9.4 33.4 50 52 A D > - 0 0 82 5,-2.8 4,-3.7 -2,-0.5 5,-0.4 -0.741 16.4-161.7 -80.9 106.7 15.6 -11.8 35.7 51 53 A L T 4 S+ 0 0 61 -2,-1.0 -1,-0.2 1,-0.2 -23,-0.0 0.767 85.5 58.7 -63.0 -24.6 16.6 -14.4 33.0 52 54 A K T 4 S+ 0 0 195 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.0 0.933 126.7 14.0 -70.6 -43.1 17.4 -16.9 35.7 53 55 A T T 4 S- 0 0 76 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.580 92.3-126.5-108.1 -17.2 13.9 -16.8 37.3 54 56 A G < + 0 0 13 -4,-3.7 -41,-0.3 1,-0.3 -3,-0.2 0.484 58.0 151.3 81.4 -0.7 11.8 -15.1 34.7 55 57 A K - 0 0 155 -5,-0.4 -5,-2.8 -43,-0.1 2,-0.3 -0.397 36.9-136.0 -67.2 141.6 10.7 -12.7 37.4 56 58 A K E -J 49 0C 81 -7,-0.2 2,-0.4 -3,-0.1 -7,-0.2 -0.747 20.8-177.6-104.8 150.1 9.7 -9.2 36.3 57 59 A T E -J 48 0C 85 -9,-1.9 -9,-3.6 -2,-0.3 2,-0.7 -0.966 20.3-142.8-144.3 116.4 10.6 -5.8 37.7 58 60 A V E +J 47 0C 68 -2,-0.4 -11,-0.3 -11,-0.3 3,-0.1 -0.771 20.5 177.3 -85.7 118.1 9.2 -2.6 36.2 59 61 A I E + 0 0 34 -13,-2.0 2,-0.4 -2,-0.7 -12,-0.2 0.757 64.6 26.0 -90.0 -28.1 11.9 0.0 36.5 60 62 A C E -J 46 0C 7 -14,-1.8 -14,-2.5 35,-0.0 -1,-0.3 -0.999 43.6-177.6-144.3 139.5 10.1 2.9 34.7 61 63 A K - 0 0 89 -2,-0.4 -16,-0.2 38,-0.2 -17,-0.1 -0.779 34.8-149.5-131.2 79.0 6.5 3.9 34.1 62 64 A P + 0 0 2 0, 0.0 7,-2.6 0, 0.0 2,-0.3 -0.248 27.8 158.1 -58.6 135.8 7.1 7.0 31.9 63 65 A E E -L 68 0E 102 5,-0.3 2,-0.5 -20,-0.1 5,-0.2 -0.935 23.9-157.7-158.9 133.2 4.6 9.9 32.0 64 66 A V E > S-L 67 0E 26 3,-2.0 3,-1.7 -2,-0.3 0, 0.0 -0.972 80.1 -20.1-120.0 115.0 5.0 13.6 31.1 65 67 A N T 3 S- 0 0 133 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.838 131.1 -45.8 58.6 38.1 2.6 16.1 32.7 66 68 A G T 3 S+ 0 0 56 1,-0.2 2,-0.8 0, 0.0 -1,-0.3 0.293 111.8 120.9 90.6 -10.8 0.0 13.3 33.4 67 69 A Y E < -L 64 0E 103 -3,-1.7 -3,-2.0 22,-0.0 -1,-0.2 -0.783 55.7-144.3 -93.0 107.0 0.3 11.7 30.0 68 70 A G E -L 63 0E 11 -2,-0.8 -5,-0.3 -26,-0.5 -25,-0.2 -0.317 18.5-124.7 -66.1 147.0 1.4 8.1 30.3 69 71 A G - 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