==== 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 2IAS . 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) . 13265.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 204 65.4 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 . 30 9.6 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 . 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 0 106 0, 0.0 258,-0.1 0, 0.0 257,-0.1 0.000 360.0 360.0 360.0 123.5 10.8 -21.2 1.1 2 4 A P - 0 0 82 0, 0.0 258,-2.0 0, 0.0 2,-0.5 -0.289 360.0-157.1 -57.5 134.9 12.6 -23.6 3.6 3 5 A V E -a 260 0A 67 256,-0.2 2,-0.3 258,-0.1 258,-0.2 -0.980 3.6-160.0-118.8 126.0 11.1 -23.3 7.1 4 6 A I E -a 261 0A 46 256,-2.5 258,-2.1 -2,-0.5 255,-0.0 -0.745 5.6-154.3-101.1 153.4 13.1 -24.3 10.2 5 7 A E - 0 0 159 -2,-0.3 256,-0.1 256,-0.2 3,-0.1 -0.559 18.6-178.9-127.7 71.8 11.4 -25.1 13.5 6 8 A P - 0 0 30 0, 0.0 2,-0.5 0, 0.0 289,-0.1 -0.188 39.0 -92.3 -67.0 160.6 13.8 -24.5 16.4 7 9 A L - 0 0 143 287,-0.1 2,-0.5 256,-0.1 287,-0.4 -0.651 37.3-149.9 -77.8 122.5 12.8 -25.1 20.0 8 10 A F - 0 0 17 -2,-0.5 2,-0.4 285,-0.1 285,-0.2 -0.817 8.9-158.6 -96.1 129.3 11.3 -22.1 21.7 9 11 A T E -E 292 0B 66 283,-2.9 283,-1.6 -2,-0.5 2,-0.2 -0.908 22.7-112.8-110.0 135.0 11.8 -21.8 25.4 10 12 A K E +E 291 0B 75 -2,-0.4 281,-0.2 281,-0.2 3,-0.1 -0.450 35.0 172.7 -66.9 133.6 9.6 -19.7 27.7 11 13 A V E - 0 0 16 279,-2.9 2,-0.3 1,-0.4 280,-0.2 0.798 60.9 -26.6-106.2 -55.5 11.3 -16.7 29.2 12 14 A T E -E 290 0B 8 278,-1.2 278,-2.5 37,-0.0 -1,-0.4 -0.971 59.5-146.9-158.2 162.1 8.6 -14.6 30.9 13 15 A E + 0 0 93 41,-0.3 276,-0.2 -2,-0.3 275,-0.1 -0.765 59.2 42.6-132.5 176.7 4.8 -14.1 30.6 14 16 A D + 0 0 119 273,-0.7 275,-0.2 -2,-0.2 -1,-0.2 0.899 59.7 144.6 52.7 55.6 1.9 -11.6 31.0 15 17 A I > - 0 0 2 273,-2.6 3,-2.5 272,-0.2 2,-0.3 -0.911 52.7-125.0-122.9 98.5 3.5 -8.4 29.6 16 18 A P T 3 S- 0 0 53 0, 0.0 19,-1.7 0, 0.0 20,-0.3 -0.235 92.1 -9.2 -47.4 102.5 0.8 -6.4 27.7 17 19 A G T 3 S- 0 0 0 -2,-0.3 268,-0.1 17,-0.2 15,-0.1 0.808 89.7-146.0 74.3 32.1 2.1 -5.9 24.2 18 20 A A < + 0 0 0 -3,-2.5 2,-0.2 266,-0.3 15,-0.2 0.039 38.9 147.3 -32.7 115.2 5.6 -7.3 25.1 19 21 A E E +H 32 0C 7 13,-2.7 13,-2.5 1,-0.1 54,-0.2 -0.764 28.9 44.6-144.0-173.1 8.0 -5.3 22.9 20 22 A G E - 0 0 1 52,-1.0 -1,-0.1 -2,-0.2 53,-0.1 0.735 61.7-163.0 38.2 49.7 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 -0.316 20.9 164.1 -59.8 136.3 13.6 -6.6 23.9 22 24 A V E -H 30 0C 0 8,-2.2 8,-3.4 250,-0.1 2,-0.4 -0.997 33.8-145.5-157.7 148.9 17.0 -5.3 24.7 23 25 A F E -H 29 0C 1 -2,-0.3 6,-0.2 6,-0.2 53,-0.2 -0.940 22.1-146.6-113.7 137.0 20.2 -6.2 26.6 24 26 A D > - 0 0 5 4,-2.1 3,-1.3 -2,-0.4 57,-0.1 -0.194 39.7 -81.4 -90.4-168.8 22.2 -3.5 28.3 25 27 A K T 3 S+ 0 0 96 1,-0.3 -1,-0.0 2,-0.1 56,-0.0 0.673 130.3 50.2 -68.2 -17.8 26.0 -3.2 28.8 26 28 A N T 3 S- 0 0 124 2,-0.1 -1,-0.3 55,-0.0 3,-0.1 0.381 120.6-106.6 -98.9 0.6 25.9 -5.6 31.9 27 29 A G < + 0 0 35 -3,-1.3 2,-0.2 1,-0.3 -2,-0.1 0.623 68.3 151.6 84.8 11.0 23.9 -8.2 30.0 28 30 A D - 0 0 70 22,-0.1 -4,-2.1 1,-0.0 2,-0.4 -0.530 41.5-127.2 -75.4 144.1 20.7 -7.3 31.9 29 31 A F E -HI 23 49C 1 20,-0.7 20,-3.0 -6,-0.2 2,-0.3 -0.824 25.6-172.3-100.2 134.5 17.5 -8.0 29.9 30 32 A Y E +HI 22 48C 0 -8,-3.4 -8,-2.2 -2,-0.4 2,-0.3 -0.930 8.7 179.7-126.4 150.9 14.7 -5.5 29.3 31 33 A I E - I 0 47C 0 16,-2.0 16,-3.3 -2,-0.3 2,-0.4 -0.956 19.8-136.5-141.9 148.9 11.2 -5.6 27.7 32 34 A V E -HI 19 46C 0 -13,-2.5 -13,-2.7 -2,-0.3 14,-0.2 -0.913 1.6-156.1-112.2 143.4 8.7 -2.8 27.3 33 35 A A E > + I 0 45C 1 12,-3.5 12,-1.6 -2,-0.4 3,-1.4 -0.703 21.2 169.3-115.3 76.0 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,-0.3 0.787 70.4 58.6 -57.7 -31.6 3.4 -0.5 25.8 35 37 A E T 3 + 0 0 111 -19,-1.7 2,-0.2 -3,-0.1 -18,-0.2 0.262 69.2 124.1 -90.0 13.5 -0.1 -1.7 26.2 36 38 A V < - 0 0 22 -3,-1.4 7,-2.0 -20,-0.3 2,-0.3 -0.550 44.2-167.3 -72.8 133.6 -0.4 -1.5 30.0 37 39 A E E -K 42 0D 130 -2,-0.2 2,-0.5 5,-0.2 -2,-0.1 -0.967 25.8-161.9-131.2 148.1 -3.4 0.8 30.8 38 40 A V E > S-K 41 0D 79 3,-2.3 3,-1.4 -2,-0.3 -2,-0.0 -0.964 86.3 -22.8-127.8 105.1 -4.9 2.5 33.9 39 41 A N T 3 S- 0 0 153 -2,-0.5 -1,-0.1 1,-0.3 0, 0.0 0.865 124.7 -52.4 60.3 43.3 -8.6 3.5 33.4 40 42 A G T 3 S+ 0 0 56 1,-0.2 -1,-0.3 3,-0.0 3,-0.0 0.403 116.6 111.9 77.9 -4.2 -8.4 3.4 29.6 41 43 A K E < S-K 38 0D 146 -3,-1.4 -3,-2.3 1,-0.1 -1,-0.2 -0.799 78.6 -93.0-103.3 145.8 -5.4 5.8 29.6 42 44 A P E +K 37 0D 42 0, 0.0 26,-0.4 0, 0.0 -5,-0.2 -0.214 46.1 161.6 -55.6 141.7 -1.8 4.8 28.5 43 45 A A + 0 0 10 -7,-2.0 27,-0.2 -9,-0.3 -6,-0.1 -0.151 19.2 178.6-155.5 41.9 0.4 3.6 31.3 44 46 A G - 0 0 0 25,-2.8 25,-0.3 -10,-0.3 2,-0.3 -0.060 11.6-148.9 -52.0 151.0 3.2 1.8 29.4 45 47 A E E -I 33 0C 35 -12,-1.6 -12,-3.5 26,-0.2 2,-0.5 -0.881 16.6-145.3-129.9 158.0 6.1 0.2 31.3 46 48 A I E -IJ 32 60C 0 14,-2.7 13,-2.3 -2,-0.3 14,-1.7 -0.989 31.0-167.5-119.5 121.0 9.7 -0.6 30.9 47 49 A L E -IJ 31 58C 7 -16,-3.3 -16,-2.0 -2,-0.5 2,-0.5 -0.847 22.3-142.5-117.7 149.7 10.7 -3.8 32.7 48 50 A R E -IJ 30 57C 55 9,-3.3 9,-1.8 -2,-0.3 2,-0.5 -0.920 24.1-152.7-103.9 130.9 13.9 -5.6 33.8 49 51 A I E -IJ 29 56C 3 -20,-3.0 2,-0.9 -2,-0.5 -20,-0.7 -0.928 11.3-139.9-110.2 128.4 13.6 -9.4 33.4 50 52 A D > - 0 0 82 5,-2.5 4,-3.3 -2,-0.5 5,-0.4 -0.788 15.4-156.5 -84.1 106.9 15.6 -11.8 35.5 51 53 A L T 4 S+ 0 0 63 -2,-0.9 -1,-0.2 1,-0.2 -23,-0.0 0.718 87.4 53.9 -57.3 -24.6 16.5 -14.4 32.9 52 54 A K T 4 S+ 0 0 189 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.903 124.5 19.9 -77.8 -43.0 17.0 -17.1 35.5 53 55 A T T 4 S- 0 0 92 -3,-0.3 -2,-0.2 2,-0.1 3,-0.1 0.705 91.4-128.2 -99.8 -26.9 13.6 -16.8 37.3 54 56 A G < + 0 0 15 -4,-3.3 -41,-0.3 1,-0.3 2,-0.2 0.475 56.9 152.1 87.0 0.9 11.4 -15.1 34.7 55 57 A K - 0 0 159 -5,-0.4 -5,-2.5 -43,-0.1 -1,-0.3 -0.491 35.1-142.9 -70.0 132.5 10.6 -12.6 37.4 56 58 A K E -J 49 0C 79 -2,-0.2 2,-0.4 -7,-0.2 -7,-0.2 -0.696 15.5-170.9 -99.1 150.0 9.7 -9.2 36.1 57 59 A T E -J 48 0C 81 -9,-1.8 -9,-3.3 -2,-0.3 2,-0.7 -0.974 18.6-140.2-141.6 118.2 10.5 -5.8 37.7 58 60 A V E +J 47 0C 65 -2,-0.4 -11,-0.3 -11,-0.2 3,-0.1 -0.732 24.1 173.3 -81.8 115.0 9.0 -2.5 36.4 59 61 A I E + 0 0 27 -13,-2.3 2,-0.3 -2,-0.7 -12,-0.2 0.772 65.2 21.5 -92.3 -26.0 11.8 0.1 36.5 60 62 A C E -J 46 0C 8 -14,-1.7 -14,-2.7 35,-0.0 -1,-0.3 -1.000 43.2-177.6-148.2 139.1 9.9 2.9 34.7 61 63 A K - 0 0 91 -2,-0.3 -16,-0.2 -16,-0.2 -17,-0.1 -0.689 37.2-145.7-132.0 73.1 6.3 3.8 34.0 62 64 A P + 0 0 1 0, 0.0 7,-3.0 0, 0.0 2,-0.3 -0.105 28.3 163.1 -50.6 131.8 6.9 7.0 31.9 63 65 A E E -L 68 0E 103 5,-0.3 2,-0.5 -20,-0.1 5,-0.2 -0.984 20.6-161.2-149.9 137.4 4.5 9.9 32.1 64 66 A V E > S-L 67 0E 21 3,-2.0 3,-1.9 -2,-0.3 0, 0.0 -0.965 80.5 -22.5-127.2 112.0 4.9 13.6 31.0 65 67 A N T 3 S- 0 0 133 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.831 130.9 -46.6 58.7 34.5 2.6 16.1 32.5 66 68 A G T 3 S+ 0 0 64 1,-0.2 2,-0.8 0, 0.0 -1,-0.3 0.317 110.3 124.5 92.9 -9.9 0.1 13.3 33.3 67 69 A Y E < -L 64 0E 103 -3,-1.9 -3,-2.0 -26,-0.0 -1,-0.2 -0.772 55.2-141.5 -89.8 108.8 0.3 11.8 29.8 68 70 A G E -L 63 0E 13 -2,-0.8 -5,-0.3 -26,-0.4 -25,-0.2 -0.338 18.8-122.4 -66.8 146.8 1.3 8.1 30.2 69 71 A G - 0 0 0 -7,-3.0 -25,-2.8 -25,-0.3 -26,-0.2 -0.362 8.6-147.8 -90.1 169.3 3.7 6.6 27.7 70 72 A I - 0 0 26 -27,-0.2 18,-3.2 -28,-0.1 2,-0.3 -0.725 23.9-164.7-131.0 70.7 3.5 3.7 25.3 71 73 A P E +M 87 0F 0 0, 0.0 16,-0.3 0, 0.0 -26,-0.2 -0.521 20.8 159.9 -62.5 123.5 7.2 2.6 25.3 72 74 A A E + 0 0 3 14,-3.3 -52,-1.0 -2,-0.3 2,-0.3 0.672 49.0 29.5-123.3 -24.1 7.6 0.3 22.3 73 75 A G E -M 86 0F 0 13,-1.4 13,-2.6 -54,-0.2 2,-0.3 -0.995 58.5-160.4-143.6 150.8 11.2 -0.1 21.1 74 76 A C E +M 85 0F 3 -2,-0.3 2,-0.3 11,-0.2 46,-0.2 -0.940 13.8 177.3-135.9 156.0 14.6 -0.0 22.7 75 77 A Q E -M 84 0F 8 9,-1.5 9,-3.2 -2,-0.3 2,-0.4 -0.973 28.4-130.1-148.9 136.8 18.3 0.4 22.0 76 78 A C E -M 83 0F 2 -2,-0.3 228,-0.4 7,-0.2 7,-0.2 -0.769 24.4-124.6 -93.5 140.3 21.1 0.4 24.5 77 79 A D - 0 0 18 5,-2.8 -52,-0.1 -2,-0.4 5,-0.1 -0.353 8.8-145.8 -76.8 163.3 23.6 3.3 24.4 78 80 A R S S+ 0 0 34 3,-0.1 -1,-0.1 -2,-0.1 230,-0.1 0.884 90.9 45.7 -96.2 -50.4 27.4 2.7 24.2 79 81 A D S S+ 0 0 94 1,-0.1 2,-0.3 228,-0.1 -1,-0.1 0.589 125.5 23.2 -73.5 -11.4 29.1 5.4 26.2 80 82 A A S S- 0 0 38 2,-0.2 2,-1.9 0, 0.0 -3,-0.2 -0.981 85.5-111.5-151.8 144.7 26.7 5.1 29.1 81 83 A N S S+ 0 0 35 -2,-0.3 16,-0.5 -5,-0.1 2,-0.3 -0.589 73.5 122.1 -81.6 80.3 24.5 2.2 30.3 82 84 A Q E - 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