==== 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 2IAW . 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) . 13364.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 65.1 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 . 131 42.0 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 . 30 9.6 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 4 2 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 0 106 0, 0.0 258,-0.1 0, 0.0 257,-0.1 0.000 360.0 360.0 360.0 127.4 11.1 -21.3 1.0 2 4 A P - 0 0 85 0, 0.0 258,-2.3 0, 0.0 2,-0.4 -0.281 360.0-158.9 -55.2 140.2 12.9 -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 -0.983 4.5-161.6-124.3 134.6 11.4 -23.3 7.0 4 6 A I E -a 261 0A 47 256,-2.5 258,-2.5 -2,-0.4 255,-0.0 -0.832 6.4-154.6-112.8 159.5 13.2 -24.3 10.2 5 7 A E - 0 0 162 -2,-0.3 258,-0.1 256,-0.2 256,-0.1 -0.641 18.1-177.2-136.1 74.1 11.5 -25.1 13.5 6 8 A P - 0 0 30 0, 0.0 2,-0.5 0, 0.0 289,-0.1 -0.256 38.1 -92.3 -67.9 158.4 13.8 -24.4 16.4 7 9 A L - 0 0 144 287,-0.1 2,-0.5 256,-0.1 287,-0.4 -0.614 37.4-151.0 -72.5 123.8 12.9 -25.1 20.0 8 10 A F - 0 0 16 -2,-0.5 2,-0.4 285,-0.1 285,-0.2 -0.860 7.7-159.5 -97.8 131.4 11.4 -22.0 21.7 9 11 A T E -E 292 0B 64 283,-2.7 283,-1.8 -2,-0.5 2,-0.1 -0.910 23.5-114.0-111.2 130.4 11.9 -21.8 25.4 10 12 A K E +E 291 0B 79 -2,-0.4 281,-0.3 281,-0.2 3,-0.1 -0.404 33.5 175.0 -65.7 140.4 9.6 -19.6 27.5 11 13 A V E - 0 0 21 279,-2.9 2,-0.3 1,-0.4 280,-0.2 0.764 60.9 -20.1-112.5 -51.1 11.4 -16.6 29.2 12 14 A T E -E 290 0B 7 278,-1.6 278,-2.5 37,-0.0 -1,-0.4 -0.981 59.4-143.7-159.7 163.8 8.6 -14.6 30.8 13 15 A E + 0 0 100 41,-0.4 276,-0.2 -2,-0.3 275,-0.1 -0.835 60.5 36.9-132.8 166.9 4.8 -14.1 30.7 14 16 A D + 0 0 121 273,-0.6 275,-0.2 274,-0.3 -1,-0.2 0.930 60.6 146.2 59.5 54.6 2.0 -11.6 31.0 15 17 A I > - 0 0 1 273,-2.6 3,-2.4 272,-0.2 2,-0.2 -0.918 48.9-128.8-121.3 97.0 3.5 -8.5 29.4 16 18 A P T 3 S- 0 0 50 0, 0.0 19,-1.8 0, 0.0 20,-0.4 -0.309 89.6 -6.9 -55.2 113.6 0.8 -6.5 27.5 17 19 A G T 3 S- 0 0 0 -2,-0.2 268,-0.1 17,-0.2 15,-0.1 0.733 91.3-148.9 72.3 25.2 1.9 -5.8 24.0 18 20 A A < + 0 0 0 -3,-2.4 2,-0.2 266,-0.2 15,-0.2 0.137 37.6 140.1 -28.9 124.4 5.4 -7.3 24.8 19 21 A E E +H 32 0C 8 13,-2.1 13,-2.6 -3,-0.1 54,-0.2 -0.874 29.4 50.6-157.8 179.3 7.9 -5.4 22.6 20 22 A G E - 0 0 1 52,-0.7 53,-0.1 -2,-0.2 -1,-0.1 0.767 57.9-168.9 49.4 46.6 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 -0.404 18.1 161.8 -65.7 138.0 13.6 -6.6 23.8 22 24 A V E -H 30 0C 0 8,-2.0 8,-2.8 250,-0.1 2,-0.4 -0.985 34.1-138.4-158.1 149.8 17.1 -5.3 24.5 23 25 A F E -H 29 0C 2 -2,-0.3 6,-0.2 6,-0.2 53,-0.2 -0.937 21.8-145.0-109.5 137.0 20.2 -6.1 26.5 24 26 A D > - 0 0 6 4,-2.6 3,-1.7 -2,-0.4 57,-0.1 -0.269 37.4 -87.2 -91.2-174.2 22.2 -3.4 28.3 25 27 A K T 3 S+ 0 0 100 1,-0.3 -1,-0.1 2,-0.1 56,-0.0 0.629 128.0 52.3 -73.2 -13.6 25.9 -3.2 28.8 26 28 A N T 3 S- 0 0 125 2,-0.1 -1,-0.3 55,-0.0 3,-0.1 0.355 121.1-106.3 -97.2 2.3 25.8 -5.4 31.9 27 29 A G S < S+ 0 0 38 -3,-1.7 -2,-0.1 1,-0.3 2,-0.1 0.571 70.6 148.5 82.9 9.9 23.9 -8.0 30.1 28 30 A D - 0 0 70 22,-0.0 -4,-2.6 1,-0.0 2,-0.4 -0.467 41.3-130.9 -76.3 153.1 20.7 -7.2 31.8 29 31 A F E -HI 23 49C 1 20,-0.6 20,-2.9 -6,-0.2 2,-0.3 -0.913 25.3-179.3-115.4 132.8 17.5 -7.9 29.8 30 32 A Y E -HI 22 48C 0 -8,-2.8 -8,-2.0 -2,-0.4 2,-0.3 -0.926 7.6-179.9-129.4 157.4 14.6 -5.5 29.3 31 33 A I E - I 0 47C 0 16,-1.9 16,-3.1 -2,-0.3 2,-0.4 -0.924 21.9-128.2-143.9 162.8 11.3 -5.4 27.5 32 34 A V E -HI 19 46C 0 -13,-2.6 -13,-2.1 -2,-0.3 14,-0.2 -0.905 2.9-155.6-117.6 150.1 8.5 -2.9 27.2 33 35 A A E > + I 0 45C 1 12,-3.0 12,-1.8 -2,-0.4 3,-1.1 -0.814 19.7 172.3-119.4 79.6 4.8 -3.4 27.8 34 36 A P T 3 + 0 0 11 0, 0.0 10,-0.3 0, 0.0 9,-0.2 0.753 69.5 60.1 -63.7 -23.9 3.3 -0.6 25.7 35 37 A E T 3 + 0 0 115 -19,-1.8 2,-0.2 -3,-0.1 -18,-0.2 0.348 67.8 121.2 -95.5 4.2 -0.3 -1.8 26.2 36 38 A V < - 0 0 25 -3,-1.1 7,-2.6 -20,-0.4 2,-0.4 -0.471 43.0-175.6 -63.3 133.0 -0.6 -1.5 29.9 37 39 A E E -K 42 0D 122 5,-0.2 2,-0.5 -2,-0.2 -2,-0.1 -0.965 24.0-154.6-135.7 149.3 -3.4 0.9 30.7 38 40 A V E > S-K 41 0D 77 3,-2.2 3,-1.8 -2,-0.4 -2,-0.0 -0.993 87.4 -13.3-123.4 121.1 -4.9 2.5 33.8 39 41 A N T 3 S- 0 0 143 -2,-0.5 -1,-0.1 1,-0.3 0, 0.0 0.887 128.6 -57.5 51.7 43.3 -8.5 3.5 33.5 40 42 A G T 3 S+ 0 0 56 1,-0.2 -1,-0.3 -3,-0.0 3,-0.0 0.553 116.1 111.9 67.0 11.1 -8.3 3.1 29.7 41 43 A K E < S-K 38 0D 137 -3,-1.8 -3,-2.2 1,-0.1 -1,-0.2 -0.845 79.8 -86.4-111.6 152.5 -5.4 5.6 29.4 42 44 A P E +K 37 0D 42 0, 0.0 26,-0.4 0, 0.0 -5,-0.2 -0.290 50.0 158.0 -57.6 138.2 -1.9 4.7 28.4 43 45 A A + 0 0 12 -7,-2.6 27,-0.1 -9,-0.2 -6,-0.1 -0.244 21.9 176.9-153.9 49.2 0.4 3.6 31.3 44 46 A G - 0 0 0 25,-2.4 25,-0.3 -10,-0.3 2,-0.3 -0.113 12.6-146.3 -61.3 155.2 3.0 1.6 29.4 45 47 A E E -I 33 0C 35 -12,-1.8 -12,-3.0 26,-0.2 2,-0.5 -0.892 16.3-144.9-129.1 156.9 6.0 0.2 31.2 46 48 A I E -IJ 32 60C 0 14,-2.9 13,-2.1 -2,-0.3 14,-1.7 -0.983 32.0-168.0-120.0 126.1 9.6 -0.7 30.8 47 49 A L E -IJ 31 58C 7 -16,-3.1 -16,-1.9 -2,-0.5 2,-0.4 -0.882 22.4-143.7-120.6 146.9 10.6 -3.8 32.6 48 50 A R E -IJ 30 57C 69 9,-3.0 9,-2.2 -2,-0.3 2,-0.5 -0.894 22.0-152.6-100.1 140.5 13.8 -5.6 33.6 49 51 A I E -IJ 29 56C 4 -20,-2.9 2,-0.7 -2,-0.4 -20,-0.6 -0.956 11.5-137.7-116.8 128.2 13.5 -9.4 33.4 50 52 A D >> - 0 0 84 5,-2.6 4,-2.8 -2,-0.5 3,-0.7 -0.720 15.5-153.2 -81.1 111.8 15.6 -11.7 35.6 51 53 A L T 34 S+ 0 0 70 -2,-0.7 -1,-0.2 1,-0.2 -23,-0.0 0.681 88.4 56.8 -65.9 -15.7 16.7 -14.4 33.1 52 54 A K T 34 S+ 0 0 188 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.823 124.0 17.0 -81.3 -32.6 17.1 -17.0 35.8 53 55 A T T <4 S- 0 0 82 -3,-0.7 -2,-0.2 2,-0.2 3,-0.1 0.601 91.3-125.2-116.5 -20.9 13.6 -16.8 37.3 54 56 A G < + 0 0 16 -4,-2.8 -41,-0.4 1,-0.3 -3,-0.1 0.415 58.7 152.0 85.3 -0.5 11.5 -15.0 34.6 55 57 A K - 0 0 158 -5,-0.3 -5,-2.6 -43,-0.1 2,-0.3 -0.373 35.0-140.4 -69.9 141.1 10.5 -12.6 37.3 56 58 A K E -J 49 0C 84 -7,-0.2 2,-0.4 -3,-0.1 -7,-0.2 -0.771 16.5-172.1-108.6 144.0 9.6 -9.1 36.1 57 59 A T E -J 48 0C 81 -9,-2.2 -9,-3.0 -2,-0.3 2,-0.7 -0.996 20.8-138.2-131.9 129.6 10.4 -5.7 37.6 58 60 A V E +J 47 0C 62 -2,-0.4 -11,-0.3 -11,-0.2 3,-0.1 -0.760 25.4 173.4 -85.3 116.6 8.9 -2.5 36.3 59 61 A I E + 0 0 28 -13,-2.1 2,-0.3 -2,-0.7 -12,-0.2 0.768 65.7 19.6 -95.2 -24.3 11.7 0.1 36.3 60 62 A C E -J 46 0C 6 -14,-1.7 -14,-2.9 2,-0.1 -1,-0.3 -0.991 43.9-179.0-150.7 136.1 9.9 2.9 34.5 61 63 A K - 0 0 87 -2,-0.3 -16,-0.2 -16,-0.2 -17,-0.1 -0.802 36.7-149.0-128.3 79.2 6.3 3.8 33.9 62 64 A P + 0 0 2 0, 0.0 7,-2.4 0, 0.0 2,-0.3 -0.268 27.2 162.0 -64.3 137.0 6.9 7.0 31.9 63 65 A E E -L 68 0E 98 5,-0.3 2,-0.5 -20,-0.1 5,-0.3 -0.969 21.6-157.4-149.5 143.8 4.4 9.9 31.9 64 66 A V E > S-L 67 0E 21 3,-2.2 3,-2.1 -2,-0.3 0, 0.0 -0.990 80.6 -19.7-126.2 116.8 4.9 13.5 30.9 65 67 A N T 3 S- 0 0 138 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.817 130.8 -47.9 52.4 37.0 2.5 16.0 32.5 66 68 A G T 3 S+ 0 0 65 1,-0.2 2,-0.7 0, 0.0 -1,-0.3 0.305 112.2 120.5 89.4 -8.5 0.1 13.3 33.3 67 69 A Y E < -L 64 0E 104 -3,-2.1 -3,-2.2 71,-0.0 -1,-0.2 -0.804 56.3-143.4 -90.2 115.8 0.2 11.7 29.8 68 70 A G E -L 63 0E 12 -2,-0.7 -5,-0.3 -26,-0.4 -25,-0.2 -0.378 16.7-116.7 -78.3 159.3 1.3 8.2 30.1 69 71 A G - 0 0 0 -7,-2.4 -25,-2.4 -25,-0.3 -1,-0.1 -0.399 8.4-149.3 -92.3 167.4 3.6 6.6 27.5 70 72 A I - 0 0 24 -27,-0.1 18,-3.0 -28,-0.1 2,-0.3 -0.729 27.6-165.5-127.5 74.1 3.3 3.7 25.1 71 73 A P E +M 87 0F 0 0, 0.0 16,-0.3 0, 0.0 -26,-0.2 -0.508 18.1 163.9 -68.5 132.7 7.0 2.6 25.1 72 74 A A E + 0 0 3 14,-3.4 -52,-0.7 1,-0.3 2,-0.3 0.622 48.0 19.9-130.1 -20.3 7.4 0.4 22.1 73 75 A G E -M 86 0F 0 13,-1.5 13,-2.5 -54,-0.2 2,-0.3 -0.997 57.0-160.7-157.5 156.6 11.1 -0.2 21.1 74 76 A C E -M 85 0F 3 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.954 13.7-177.6-141.7 155.7 14.5 0.1 22.6 75 77 A Q E -M 84 0F 8 9,-2.2 9,-3.1 -2,-0.3 2,-0.4 -0.985 29.1-126.2-143.2 149.9 18.2 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 -0.763 24.7-125.5 -97.1 139.1 21.0 0.5 24.4 77 79 A D - 0 0 18 5,-2.7 -52,-0.1 -2,-0.4 5,-0.1 -0.327 9.6-144.8 -71.6 162.6 23.5 3.4 24.3 78 80 A R S S+ 0 0 32 3,-0.1 -1,-0.1 1,-0.1 230,-0.1 0.879 90.8 45.1 -92.8 -52.7 27.3 2.7 24.1 79 81 A D S S+ 0 0 92 1,-0.1 2,-0.3 228,-0.1 -1,-0.1 0.648 124.7 25.3 -74.6 -18.1 29.0 5.5 26.1 80 82 A A S S- 0 0 38 2,-0.2 2,-1.7 0, 0.0 -3,-0.2 -0.977 85.9-113.3-139.8 149.9 26.6 5.3 29.0 81 83 A N S S+ 0 0 35 -2,-0.3 16,-0.6 -5,-0.1 2,-0.3 -0.614 73.2 120.1 -86.4 81.5 24.5 2.4 30.2 82 84 A Q E - 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