==== 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 2IAV . COMPND 2 MOLECULE: DIISOPROPYLFLUOROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LOLIGO VULGARIS; . AUTHOR V.KATSEMI,C.LUECKE,J.KOEPKE,F.LOEHR,S.MAURER,G.FRITZSCH, . 312 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13345.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 202 64.7 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 . 1 0.3 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 . 28 9.0 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 . 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 0 104 0, 0.0 258,-0.1 0, 0.0 257,-0.1 0.000 360.0 360.0 360.0 131.1 10.8 -21.2 1.1 2 4 A P - 0 0 87 0, 0.0 258,-2.4 0, 0.0 2,-0.4 -0.275 360.0-158.7 -57.7 138.9 12.6 -23.5 3.6 3 5 A V E -a 260 0A 68 256,-0.2 2,-0.3 258,-0.1 258,-0.2 -0.966 6.3-160.4-122.7 140.3 11.2 -23.4 7.1 4 6 A I E -a 261 0A 51 256,-2.5 258,-2.8 -2,-0.4 255,-0.0 -0.855 7.0-158.5-115.2 154.7 12.8 -24.3 10.3 5 7 A E + 0 0 157 -2,-0.3 3,-0.1 256,-0.2 258,-0.1 -0.603 20.4 179.5-130.8 71.1 11.0 -25.1 13.6 6 8 A P - 0 0 32 0, 0.0 2,-0.3 0, 0.0 289,-0.0 -0.223 40.7 -88.6 -71.7 161.5 13.6 -24.6 16.4 7 9 A L - 0 0 143 287,-0.1 287,-0.5 256,-0.1 2,-0.5 -0.602 38.2-151.9 -72.1 133.4 12.6 -25.2 20.0 8 10 A F - 0 0 18 -2,-0.3 2,-0.4 285,-0.1 285,-0.2 -0.930 8.1-159.2-102.1 129.4 11.2 -22.1 21.7 9 11 A T E -E 292 0B 63 283,-3.0 283,-1.9 -2,-0.5 2,-0.1 -0.883 22.6-114.1-109.6 133.9 11.8 -21.9 25.5 10 12 A K E +E 291 0B 77 -2,-0.4 281,-0.3 281,-0.2 3,-0.1 -0.429 33.2 174.3 -68.3 141.1 9.5 -19.7 27.6 11 13 A V E - 0 0 20 279,-3.1 2,-0.3 1,-0.4 280,-0.2 0.768 60.4 -23.1-110.6 -54.5 11.2 -16.7 29.3 12 14 A T E -E 290 0B 9 278,-1.5 278,-2.5 37,-0.0 -1,-0.4 -0.972 58.8-147.3-158.0 169.6 8.5 -14.7 31.0 13 15 A E + 0 0 90 41,-0.3 276,-0.2 -2,-0.3 275,-0.1 -0.864 58.3 39.9-140.9 166.0 4.7 -14.0 30.8 14 16 A D + 0 0 113 273,-0.7 275,-0.2 274,-0.3 -1,-0.2 0.913 59.8 144.7 57.1 55.9 1.9 -11.5 31.2 15 17 A I > - 0 0 2 273,-2.7 3,-2.6 272,-0.2 2,-0.2 -0.930 52.0-126.0-121.4 100.1 3.5 -8.4 29.8 16 18 A P T 3 S- 0 0 51 0, 0.0 19,-1.8 0, 0.0 20,-0.4 -0.284 90.5 -5.1 -56.7 115.7 0.8 -6.4 28.0 17 19 A G T 3 S- 0 0 3 -2,-0.2 268,-0.1 17,-0.2 15,-0.1 0.659 89.9-149.3 75.5 18.7 2.0 -5.7 24.4 18 20 A A < + 0 0 0 -3,-2.6 2,-0.2 266,-0.2 15,-0.2 0.203 37.7 140.2 -25.4 120.2 5.4 -7.3 25.1 19 21 A E E +H 32 0C 14 13,-2.3 13,-2.7 1,-0.1 54,-0.2 -0.842 28.7 48.3-154.7 179.1 7.9 -5.4 23.0 20 22 A G E - 0 0 1 52,-0.7 53,-0.1 -2,-0.2 -1,-0.1 0.776 58.8-166.5 48.7 45.8 11.3 -3.9 22.7 21 23 A P E + 0 0 3 0, 0.0 2,-0.3 0, 0.0 10,-0.2 -0.398 18.9 162.8 -63.3 139.7 13.6 -6.7 24.0 22 24 A V E -H 30 0C 0 8,-2.1 8,-2.6 250,-0.1 2,-0.4 -0.996 33.1-140.4-157.9 147.4 17.1 -5.4 24.7 23 25 A F E -H 29 0C 4 -2,-0.3 6,-0.2 6,-0.2 53,-0.2 -0.913 21.1-144.1-106.0 140.9 20.3 -6.2 26.6 24 26 A D > - 0 0 5 4,-2.5 3,-1.6 -2,-0.4 57,-0.1 -0.286 37.9 -86.0 -91.1-175.1 22.3 -3.6 28.4 25 27 A K T 3 S+ 0 0 99 1,-0.3 56,-0.0 52,-0.1 -1,-0.0 0.672 128.2 50.6 -69.4 -16.2 26.1 -3.4 28.8 26 28 A N T 3 S- 0 0 128 2,-0.1 -1,-0.3 55,-0.0 55,-0.0 0.348 121.0-104.6 -99.5 4.7 26.1 -5.6 31.8 27 29 A G S < S+ 0 0 40 -3,-1.6 2,-0.1 1,-0.3 -2,-0.1 0.563 71.2 145.8 85.1 7.5 24.0 -8.3 30.2 28 30 A D - 0 0 64 22,-0.0 -4,-2.5 1,-0.0 2,-0.4 -0.498 42.0-132.3 -75.7 154.5 20.7 -7.5 32.0 29 31 A F E -HI 23 49C 1 20,-0.6 20,-2.7 -6,-0.2 2,-0.3 -0.898 23.6-177.6-117.9 136.7 17.6 -7.9 29.9 30 32 A Y E -HI 22 48C 0 -8,-2.6 -8,-2.1 -2,-0.4 2,-0.3 -0.939 6.4-175.9-132.9 154.4 14.7 -5.5 29.5 31 33 A I E - I 0 47C 0 16,-2.0 16,-3.3 -2,-0.3 2,-0.4 -0.925 20.0-129.2-140.8 157.3 11.3 -5.5 27.8 32 34 A V E -HI 19 46C 0 -13,-2.7 -13,-2.3 -2,-0.3 14,-0.2 -0.886 3.4-156.2-110.5 152.1 8.6 -2.9 27.4 33 35 A A E > + I 0 45C 0 12,-2.9 12,-1.7 -2,-0.4 3,-1.2 -0.799 18.9 171.4-122.2 78.7 4.9 -3.2 28.1 34 36 A P T 3 S+ 0 0 11 0, 0.0 10,-0.3 0, 0.0 9,-0.2 0.757 70.7 58.7 -64.5 -24.7 3.3 -0.6 25.9 35 37 A E T 3 + 0 0 117 -19,-1.8 2,-0.2 -3,-0.1 -18,-0.2 0.330 68.4 121.0 -97.7 6.6 -0.3 -1.7 26.5 36 38 A V < - 0 0 23 -3,-1.2 7,-2.5 -20,-0.4 2,-0.3 -0.511 43.2-176.4 -67.2 134.8 -0.5 -1.4 30.3 37 39 A E E -K 42 0D 122 5,-0.2 2,-0.4 -2,-0.2 -2,-0.1 -0.929 24.8-154.2-134.6 155.2 -3.4 1.0 31.1 38 40 A V E > S-K 41 0D 78 3,-2.3 3,-2.1 -2,-0.3 -2,-0.0 -0.995 87.8 -12.5-129.3 122.0 -4.9 2.6 34.1 39 41 A N T 3 S- 0 0 146 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 0.875 128.8 -58.3 53.0 37.6 -8.5 3.6 33.9 40 42 A G T 3 S+ 0 0 51 1,-0.2 -1,-0.3 3,-0.0 3,-0.0 0.521 115.0 112.9 75.0 2.8 -8.3 3.1 30.1 41 43 A K E < S-K 38 0D 140 -3,-2.1 -3,-2.3 1,-0.1 -1,-0.2 -0.812 80.0 -83.0-106.8 155.0 -5.5 5.6 29.7 42 44 A P E +K 37 0D 45 0, 0.0 26,-0.4 0, 0.0 -5,-0.2 -0.224 52.2 156.4 -57.0 136.9 -1.9 4.8 28.7 43 45 A A + 0 0 12 -7,-2.5 27,-0.1 -9,-0.2 -6,-0.1 -0.208 21.3 175.2-153.0 46.7 0.3 3.7 31.6 44 46 A G - 0 0 0 25,-2.5 25,-0.3 -10,-0.3 2,-0.3 -0.084 13.3-146.4 -66.7 160.1 3.0 1.7 29.7 45 47 A E E -I 33 0C 34 -12,-1.7 -12,-2.9 26,-0.2 2,-0.5 -0.869 16.0-143.2-131.3 156.3 6.0 0.2 31.5 46 48 A I E -IJ 32 60C 0 14,-2.7 13,-2.2 -2,-0.3 14,-1.7 -0.990 32.9-166.6-119.1 126.4 9.7 -0.6 31.1 47 49 A L E -IJ 31 58C 6 -16,-3.3 -16,-2.0 -2,-0.5 2,-0.4 -0.877 22.3-144.5-120.1 146.1 10.7 -3.9 32.8 48 50 A R E -IJ 30 57C 63 9,-2.8 9,-2.4 -2,-0.4 2,-0.5 -0.890 22.1-153.5 -99.3 136.1 13.8 -5.7 33.9 49 51 A I E -IJ 29 56C 3 -20,-2.7 2,-0.8 -2,-0.4 -20,-0.6 -0.961 11.8-138.4-113.4 125.5 13.5 -9.5 33.6 50 52 A D >> - 0 0 84 5,-2.5 4,-2.5 -2,-0.5 3,-0.9 -0.757 16.1-154.5 -76.0 108.6 15.6 -11.8 35.8 51 53 A L T 34 S+ 0 0 66 -2,-0.8 -1,-0.1 1,-0.2 -23,-0.0 0.737 87.2 56.9 -62.1 -22.6 16.6 -14.4 33.2 52 54 A K T 34 S+ 0 0 195 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.733 124.3 17.3 -79.9 -26.9 17.0 -17.2 35.8 53 55 A T T <4 S- 0 0 86 -3,-0.9 -2,-0.2 2,-0.1 -1,-0.1 0.534 92.5-124.6-120.2 -17.7 13.5 -17.0 37.3 54 56 A G < + 0 0 15 -4,-2.5 -41,-0.3 1,-0.3 -3,-0.1 0.443 58.8 150.2 81.4 -1.5 11.4 -15.1 34.8 55 57 A K - 0 0 157 -5,-0.3 -5,-2.5 -43,-0.1 2,-0.3 -0.380 34.8-142.0 -71.9 146.1 10.4 -12.6 37.4 56 58 A K E -J 49 0C 84 -7,-0.2 2,-0.4 -2,-0.1 -7,-0.2 -0.810 15.6-171.5-109.7 143.5 9.7 -9.1 36.4 57 59 A T E -J 48 0C 87 -9,-2.4 -9,-2.8 -2,-0.3 2,-0.8 -1.000 22.2-135.5-129.5 133.0 10.4 -5.7 37.9 58 60 A V E +J 47 0C 64 -2,-0.4 -11,-0.3 -11,-0.2 3,-0.1 -0.766 26.0 174.2 -84.2 115.7 8.9 -2.5 36.6 59 61 A I E + 0 0 32 -13,-2.2 2,-0.3 -2,-0.8 -12,-0.2 0.775 66.0 17.1 -91.8 -26.2 11.8 0.0 36.6 60 62 A C E -J 46 0C 7 -14,-1.7 -14,-2.7 2,-0.1 -1,-0.3 -0.989 44.9-178.8-150.3 135.6 10.0 2.9 34.9 61 63 A K - 0 0 87 -2,-0.3 -16,-0.2 -16,-0.2 -17,-0.1 -0.776 37.2-149.5-130.7 79.3 6.3 3.8 34.2 62 64 A P + 0 0 2 0, 0.0 7,-2.5 0, 0.0 2,-0.3 -0.225 26.4 164.4 -71.3 139.2 6.9 7.0 32.3 63 65 A E E -L 68 0E 98 5,-0.3 2,-0.5 -20,-0.1 5,-0.2 -0.981 19.8-158.5-145.5 143.7 4.5 10.0 32.3 64 66 A V E > S-L 67 0E 23 3,-2.1 3,-2.1 -2,-0.3 0, 0.0 -0.987 81.0 -20.2-124.9 117.4 5.0 13.6 31.3 65 67 A N T 3 S- 0 0 137 -2,-0.5 3,-0.1 1,-0.3 -1,-0.1 0.814 130.6 -49.0 53.3 35.7 2.6 16.2 32.7 66 68 A G T 3 S+ 0 0 66 1,-0.2 2,-0.7 0, 0.0 -1,-0.3 0.303 111.0 122.0 91.0 -10.0 0.1 13.4 33.5 67 69 A Y E < -L 64 0E 100 -3,-2.1 -3,-2.1 22,-0.0 -1,-0.2 -0.807 56.2-140.7 -88.8 114.3 0.3 11.8 30.0 68 70 A G E -L 63 0E 11 -2,-0.7 -5,-0.3 -26,-0.4 -25,-0.2 -0.371 18.2-115.2 -73.0 152.3 1.4 8.2 30.4 69 71 A G - 0 0 0 -7,-2.5 -25,-2.5 -25,-0.3 -1,-0.1 -0.362 8.8-150.7 -82.6 162.9 3.7 6.6 27.9 70 72 A I - 0 0 23 -27,-0.1 18,-2.8 -28,-0.1 2,-0.2 -0.694 25.9-165.8-125.2 72.9 3.4 3.8 25.4 71 73 A P E +M 87 0F 0 0, 0.0 16,-0.3 0, 0.0 -26,-0.2 -0.492 19.6 160.6 -68.3 130.1 7.0 2.6 25.4 72 74 A A E + 0 0 3 14,-3.4 -52,-0.7 1,-0.3 2,-0.3 0.578 48.4 22.1-130.5 -23.3 7.5 0.3 22.4 73 75 A G E -M 86 0F 0 13,-1.5 13,-2.6 -54,-0.2 -1,-0.3 -0.994 57.8-161.4-156.2 152.0 11.1 -0.2 21.3 74 76 A C E -M 85 0F 4 -2,-0.3 2,-0.3 11,-0.2 46,-0.2 -0.964 14.1-178.7-140.3 153.6 14.6 0.1 22.8 75 77 A Q E -M 84 0F 8 9,-2.0 9,-3.2 -2,-0.3 2,-0.4 -0.972 28.3-127.3-138.6 149.1 18.3 0.4 22.1 76 78 A C E -M 83 0F 3 -2,-0.3 228,-0.4 7,-0.2 7,-0.2 -0.792 24.9-125.4 -94.5 140.2 21.2 0.5 24.6 77 79 A D - 0 0 17 5,-3.0 -52,-0.1 -2,-0.4 5,-0.1 -0.284 8.2-144.6 -73.3 165.6 23.7 3.3 24.5 78 80 A R S S+ 0 0 32 3,-0.1 -1,-0.1 48,-0.1 230,-0.1 0.873 91.1 44.4 -96.2 -51.3 27.4 2.7 24.2 79 81 A D S S+ 0 0 93 1,-0.1 2,-0.3 228,-0.1 -1,-0.0 0.647 125.2 25.0 -77.4 -18.4 29.2 5.4 26.3 80 82 A A S S- 0 0 37 2,-0.2 2,-1.7 0, 0.0 -3,-0.2 -0.981 86.2-114.1-138.7 150.0 26.7 5.2 29.2 81 83 A N S S+ 0 0 35 -2,-0.3 16,-0.6 -5,-0.1 2,-0.3 -0.622 72.6 121.2 -86.9 83.9 24.6 2.2 30.3 82 84 A Q E - 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