==== 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 2IAR . 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) . 13247.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 211 67.6 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 . 4 1.3 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 0 110 0, 0.0 258,-0.1 0, 0.0 257,-0.1 0.000 360.0 360.0 360.0 124.1 11.0 -21.3 1.0 2 4 A P - 0 0 90 0, 0.0 258,-2.1 0, 0.0 2,-0.4 -0.303 360.0-162.3 -58.0 134.7 12.9 -23.4 3.6 3 5 A V E -a 260 0A 66 256,-0.2 2,-0.3 258,-0.1 258,-0.2 -0.988 3.1-162.5-125.2 121.1 11.2 -23.3 7.1 4 6 A I E -a 261 0A 48 256,-2.4 258,-2.4 -2,-0.4 255,-0.0 -0.738 6.6-155.3 -99.9 153.1 13.0 -24.3 10.3 5 7 A E + 0 0 154 -2,-0.3 258,-0.1 256,-0.2 256,-0.1 -0.640 19.7 178.2-128.7 76.2 11.2 -25.1 13.5 6 8 A P - 0 0 33 0, 0.0 2,-0.4 0, 0.0 289,-0.0 -0.265 39.6 -90.4 -74.0 163.6 13.5 -24.5 16.5 7 9 A L - 0 0 142 287,-0.1 2,-0.6 256,-0.1 287,-0.4 -0.636 35.1-149.2 -78.3 125.7 12.4 -25.0 20.1 8 10 A F - 0 0 18 -2,-0.4 2,-0.5 285,-0.1 285,-0.2 -0.865 9.4-157.3 -97.8 122.1 11.0 -21.8 21.8 9 11 A T E -E 292 0B 65 283,-3.1 283,-1.1 -2,-0.6 -2,-0.0 -0.893 22.2-115.8-103.2 125.8 11.7 -21.7 25.5 10 12 A K E +E 291 0B 75 -2,-0.5 281,-0.2 281,-0.2 3,-0.1 -0.287 34.2 173.7 -59.0 139.2 9.4 -19.5 27.6 11 13 A V E - 0 0 17 279,-2.7 2,-0.3 1,-0.4 280,-0.2 0.725 60.0 -23.0-112.7 -53.2 11.1 -16.5 29.3 12 14 A T E -E 290 0B 3 278,-1.2 278,-2.5 37,-0.0 -1,-0.4 -0.980 59.4-144.7-159.1 159.8 8.3 -14.4 30.9 13 15 A E + 0 0 81 41,-0.3 276,-0.2 -2,-0.3 275,-0.1 -0.756 59.1 40.2-129.1 176.7 4.6 -13.8 30.6 14 16 A D + 0 0 128 273,-0.6 275,-0.2 -2,-0.2 -1,-0.2 0.914 59.1 146.1 51.9 59.5 1.7 -11.3 30.8 15 17 A I > - 0 0 1 273,-2.7 3,-2.7 272,-0.2 -1,-0.2 -0.904 48.6-130.6-124.7 96.2 3.3 -8.2 29.3 16 18 A P T 3 S- 0 0 51 0, 0.0 19,-1.5 0, 0.0 20,-0.4 -0.279 92.0 -2.4 -50.6 113.2 0.6 -6.2 27.4 17 19 A G T 3 S- 0 0 1 17,-0.2 268,-0.1 18,-0.2 15,-0.1 0.717 92.1-147.4 73.3 21.9 2.0 -5.4 23.9 18 20 A A < + 0 0 0 -3,-2.7 2,-0.2 266,-0.2 15,-0.2 0.146 37.7 151.0 -25.1 111.5 5.4 -7.1 24.9 19 21 A E E +H 32 0C 8 13,-3.0 13,-2.7 -3,-0.1 54,-0.2 -0.816 26.3 35.1-143.7-179.3 7.9 -5.2 22.9 20 22 A G E - 0 0 1 52,-0.9 -1,-0.1 -2,-0.2 53,-0.1 0.730 59.2-162.5 37.5 53.2 11.4 -3.8 22.5 21 23 A P E + 0 0 3 0, 0.0 2,-0.3 0, 0.0 10,-0.2 -0.303 21.5 163.7 -61.7 138.6 13.6 -6.6 23.9 22 24 A V E -H 30 0C 0 8,-2.1 8,-3.4 250,-0.1 2,-0.4 -0.995 34.2-142.8-158.8 151.5 17.1 -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 -0.946 21.8-146.5-114.5 137.7 20.2 -6.1 26.7 24 26 A D > - 0 0 5 4,-2.0 3,-1.2 -2,-0.4 57,-0.1 -0.229 40.7 -81.1 -90.8-170.9 22.3 -3.4 28.3 25 27 A K T 3 S+ 0 0 102 1,-0.2 56,-0.0 52,-0.1 -1,-0.0 0.637 129.2 52.2 -67.9 -14.4 26.1 -3.2 28.8 26 28 A N T 3 S- 0 0 121 2,-0.1 -1,-0.2 55,-0.0 3,-0.1 0.510 119.9-105.8 -96.5 -8.8 25.9 -5.5 31.9 27 29 A G S < S+ 0 0 37 -3,-1.2 2,-0.2 1,-0.3 -2,-0.1 0.521 70.1 148.9 95.1 5.6 24.0 -8.2 30.1 28 30 A D - 0 0 53 1,-0.1 -4,-2.0 22,-0.0 2,-0.4 -0.521 42.7-127.8 -73.8 143.0 20.7 -7.4 31.9 29 31 A F E -HI 23 49C 2 20,-0.6 20,-2.7 -6,-0.2 2,-0.4 -0.783 24.4-170.8 -99.9 136.6 17.5 -8.0 29.9 30 32 A Y E -HI 22 48C 0 -8,-3.4 -8,-2.1 -2,-0.4 2,-0.3 -0.949 8.5-179.0-128.9 147.0 14.7 -5.5 29.3 31 33 A I E - I 0 47C 0 16,-2.1 16,-3.8 -2,-0.4 2,-0.4 -0.956 17.0-141.4-138.1 147.9 11.2 -5.5 27.8 32 34 A V E -HI 19 46C 0 -13,-2.7 -13,-3.0 -2,-0.3 14,-0.2 -0.927 0.8-155.8-115.3 140.8 8.7 -2.8 27.3 33 35 A A E > + I 0 45C 1 12,-3.2 12,-1.8 -2,-0.4 3,-1.1 -0.798 18.7 172.4-113.6 83.1 4.9 -3.2 27.8 34 36 A P T 3 S+ 0 0 5 0, 0.0 9,-0.3 0, 0.0 10,-0.3 0.813 71.8 55.8 -62.0 -31.5 3.5 -0.4 25.6 35 37 A E T 3 + 0 0 114 -19,-1.5 2,-0.3 7,-0.1 -18,-0.2 0.210 68.7 123.4 -93.8 16.8 -0.1 -1.4 26.0 36 38 A V < - 0 0 23 -3,-1.1 7,-1.8 -20,-0.4 2,-0.4 -0.607 43.5-171.8 -74.5 131.4 -0.5 -1.4 29.8 37 39 A E E -K 42 0D 118 -2,-0.3 2,-0.5 5,-0.2 -2,-0.1 -0.977 23.1-156.8-131.7 144.7 -3.4 0.9 30.6 38 40 A V E > S-K 41 0D 75 3,-2.2 3,-1.6 -2,-0.4 -2,-0.0 -0.986 86.9 -14.8-121.2 115.5 -4.9 2.4 33.8 39 41 A N T 3 S- 0 0 166 -2,-0.5 -1,-0.1 1,-0.3 0, 0.0 0.835 128.5 -56.1 61.9 34.5 -8.5 3.5 33.5 40 42 A G T 3 S+ 0 0 59 1,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.360 116.5 107.1 82.8 -5.6 -8.3 3.3 29.7 41 43 A K E < S-K 38 0D 140 -3,-1.6 -3,-2.2 1,-0.1 -1,-0.2 -0.751 80.7 -82.3-106.2 154.5 -5.3 5.7 29.4 42 44 A P E +K 37 0D 42 0, 0.0 26,-0.4 0, 0.0 -5,-0.2 -0.141 49.5 156.3 -53.8 143.3 -1.7 4.9 28.5 43 45 A A + 0 0 8 -7,-1.8 27,-0.1 -9,-0.3 -6,-0.1 -0.169 22.9 177.6-162.7 42.8 0.5 3.7 31.4 44 46 A G - 0 0 0 25,-2.3 2,-0.3 -10,-0.3 25,-0.3 -0.110 12.8-146.3 -54.8 154.4 3.2 1.8 29.5 45 47 A E E -I 33 0C 34 -12,-1.8 -12,-3.2 26,-0.2 2,-0.5 -0.895 15.8-147.4-130.1 155.9 6.1 0.2 31.3 46 48 A I E -IJ 32 60C 0 14,-2.6 13,-1.7 -2,-0.3 14,-1.7 -0.991 33.1-166.0-119.2 117.1 9.8 -0.5 30.8 47 49 A L E -IJ 31 58C 7 -16,-3.8 -16,-2.1 -2,-0.5 2,-0.4 -0.795 22.5-143.5-114.9 152.4 10.7 -3.7 32.7 48 50 A R E -IJ 30 57C 76 9,-3.5 9,-1.8 -2,-0.3 2,-0.5 -0.913 23.3-152.3-105.6 135.9 13.8 -5.6 33.8 49 51 A I E -IJ 29 56C 5 -20,-2.7 2,-0.9 -2,-0.4 -20,-0.6 -0.954 11.9-139.7-116.6 126.9 13.5 -9.3 33.5 50 52 A D > - 0 0 80 5,-2.4 4,-3.9 -2,-0.5 5,-0.3 -0.752 15.2-162.7 -81.3 108.5 15.5 -11.8 35.7 51 53 A L T 4 S+ 0 0 66 -2,-0.9 -1,-0.2 1,-0.2 -23,-0.0 0.774 86.1 59.3 -64.6 -26.8 16.4 -14.4 33.1 52 54 A K T 4 S+ 0 0 196 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.0 0.912 126.8 13.1 -68.6 -41.2 17.2 -16.9 35.9 53 55 A T T 4 S- 0 0 78 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.668 91.5-126.3-109.1 -23.8 13.6 -16.7 37.3 54 56 A G < + 0 0 14 -4,-3.9 -41,-0.3 1,-0.3 -3,-0.2 0.458 56.5 153.9 86.9 0.5 11.5 -15.0 34.7 55 57 A K - 0 0 153 -5,-0.3 -5,-2.4 -43,-0.1 2,-0.3 -0.374 36.4-135.5 -66.2 139.8 10.4 -12.5 37.4 56 58 A K E -J 49 0C 85 -7,-0.2 2,-0.4 -3,-0.1 -7,-0.2 -0.755 21.7-179.9-101.5 145.2 9.4 -9.1 36.2 57 59 A T E -J 48 0C 85 -9,-1.8 -9,-3.5 -2,-0.3 2,-0.7 -0.937 19.9-145.3-143.8 111.2 10.4 -5.7 37.7 58 60 A V E +J 47 0C 69 -2,-0.4 -11,-0.3 -11,-0.3 3,-0.1 -0.743 19.3 177.1 -83.2 114.6 9.1 -2.5 36.1 59 61 A I E + 0 0 36 -13,-1.7 2,-0.3 -2,-0.7 -12,-0.2 0.721 66.4 27.6 -87.1 -27.1 11.8 0.1 36.6 60 62 A C E -J 46 0C 7 -14,-1.7 -14,-2.6 2,-0.0 -1,-0.2 -0.998 44.5-178.5-144.7 135.9 10.1 2.9 34.7 61 63 A K - 0 0 91 -2,-0.3 -16,-0.2 -16,-0.2 -17,-0.1 -0.769 35.7-148.6-128.9 78.5 6.4 3.9 34.1 62 64 A P + 0 0 2 0, 0.0 7,-2.7 0, 0.0 2,-0.3 -0.238 27.8 159.9 -56.9 132.2 7.1 7.1 31.9 63 65 A E E -L 68 0E 100 5,-0.3 2,-0.5 -20,-0.1 5,-0.3 -0.967 22.5-160.1-155.3 134.1 4.7 10.0 32.0 64 66 A V E > S-L 67 0E 27 3,-2.4 3,-1.4 -2,-0.3 0, 0.0 -0.965 80.4 -18.6-122.7 111.7 5.1 13.6 31.0 65 67 A N T 3 S- 0 0 132 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.795 129.7 -49.1 65.3 32.4 2.6 16.1 32.5 66 68 A G T 3 S+ 0 0 60 1,-0.2 2,-0.8 0, 0.0 -1,-0.3 0.274 112.3 120.7 92.3 -13.2 0.1 13.4 33.3 67 69 A Y E < -L 64 0E 102 -3,-1.4 -3,-2.4 22,-0.0 -1,-0.2 -0.790 56.9-143.1 -90.1 111.5 0.3 11.8 29.9 68 70 A G E -L 63 0E 12 -2,-0.8 -5,-0.3 -26,-0.4 -25,-0.2 -0.380 17.3-121.8 -71.8 148.5 1.5 8.2 30.2 69 71 A G - 0 0 0 -7,-2.7 -25,-2.3 -25,-0.3 -26,-0.2 -0.340 5.0-143.6 -89.0 170.1 3.8 6.8 27.5 70 72 A I - 0 0 22 -27,-0.1 18,-2.7 -28,-0.1 2,-0.3 -0.674 25.2-164.9-128.5 68.8 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 -0.465 21.9 157.6 -62.0 121.5 7.2 2.7 25.1 72 74 A A E + 0 0 2 14,-3.0 -52,-0.9 -2,-0.3 2,-0.3 0.628 49.8 34.0-122.4 -22.3 7.6 0.3 22.2 73 75 A G E -M 86 0F 0 13,-1.4 13,-2.6 -54,-0.2 2,-0.3 -0.995 57.6-165.8-141.4 151.0 11.2 0.0 21.0 74 76 A C E +M 85 0F 3 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.957 13.3 176.1-139.4 157.2 14.7 0.0 22.6 75 77 A Q E -M 84 0F 7 9,-1.4 9,-2.9 -2,-0.3 2,-0.4 -0.965 29.5-126.5-150.2 143.0 18.4 0.3 21.9 76 78 A C E -M 83 0F 2 -2,-0.3 228,-0.4 7,-0.2 7,-0.2 -0.807 24.3-125.0 -98.6 138.9 21.2 0.5 24.4 77 79 A D - 0 0 17 5,-2.6 -52,-0.1 -2,-0.4 5,-0.1 -0.342 8.5-147.6 -75.0 162.2 23.8 3.3 24.3 78 80 A R S S+ 0 0 34 3,-0.1 -1,-0.1 -2,-0.1 230,-0.1 0.866 91.3 46.2 -97.1 -50.8 27.5 2.7 24.1 79 81 A D S S+ 0 0 90 1,-0.1 2,-0.3 228,-0.1 -1,-0.1 0.565 125.6 23.9 -72.5 -10.8 29.2 5.5 26.0 80 82 A A S S- 0 0 35 2,-0.2 2,-2.0 0, 0.0 -3,-0.2 -0.979 83.9-114.1-153.3 142.2 26.7 5.2 29.0 81 83 A N S S+ 0 0 35 -2,-0.3 16,-0.6 -5,-0.1 2,-0.3 -0.580 74.5 118.9 -80.6 80.2 24.7 2.2 30.2 82 84 A Q E - 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