==== 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 2IAT . 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) . 13249.0 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 . 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 . 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 0 109 0, 0.0 258,-0.1 0, 0.0 257,-0.1 0.000 360.0 360.0 360.0 120.3 10.6 -21.1 1.1 2 4 A P - 0 0 88 0, 0.0 258,-2.7 0, 0.0 2,-0.4 -0.290 360.0-159.4 -60.0 133.1 12.5 -23.4 3.6 3 5 A V E -a 260 0A 68 256,-0.2 2,-0.3 258,-0.1 258,-0.2 -0.974 4.2-161.5-121.0 129.9 11.1 -23.3 7.1 4 6 A I E -a 261 0A 52 256,-2.4 258,-2.5 -2,-0.4 255,-0.0 -0.779 6.6-154.9-105.5 154.0 13.0 -24.4 10.2 5 7 A E + 0 0 149 -2,-0.3 3,-0.1 256,-0.2 256,-0.1 -0.554 19.8 177.7-128.9 71.0 11.3 -25.2 13.5 6 8 A P - 0 0 32 0, 0.0 2,-0.4 0, 0.0 289,-0.0 -0.256 41.2 -88.5 -69.6 160.3 13.8 -24.6 16.4 7 9 A L - 0 0 142 287,-0.1 2,-0.4 256,-0.0 287,-0.4 -0.584 37.0-149.9 -75.0 123.1 12.7 -25.1 20.0 8 10 A F - 0 0 19 -2,-0.4 2,-0.4 285,-0.1 285,-0.2 -0.802 9.4-158.8 -95.4 131.7 11.2 -22.1 21.7 9 11 A T E -E 292 0B 63 283,-2.6 283,-1.3 -2,-0.4 2,-0.1 -0.942 22.4-113.9-113.2 131.7 11.7 -21.8 25.4 10 12 A K E +E 291 0B 77 -2,-0.4 281,-0.2 281,-0.2 3,-0.1 -0.380 34.5 173.0 -63.3 139.0 9.5 -19.7 27.6 11 13 A V E - 0 0 20 279,-2.7 2,-0.3 1,-0.4 280,-0.2 0.725 59.7 -24.0-112.6 -53.8 11.2 -16.7 29.2 12 14 A T E -E 290 0B 5 278,-1.3 278,-2.4 37,-0.0 -1,-0.4 -0.985 58.5-138.7-158.8 161.5 8.4 -14.7 31.0 13 15 A E + 0 0 92 41,-0.3 276,-0.2 -2,-0.3 275,-0.1 -0.748 61.9 33.5-127.2 171.8 4.7 -14.0 30.8 14 16 A D + 0 0 125 273,-0.7 275,-0.2 -2,-0.2 -1,-0.2 0.910 58.1 148.9 53.4 58.0 1.9 -11.4 31.1 15 17 A I > - 0 0 2 273,-3.0 3,-2.9 272,-0.2 2,-0.3 -0.908 48.1-130.0-119.2 98.0 3.6 -8.4 29.5 16 18 A P T 3 S- 0 0 51 0, 0.0 19,-1.1 0, 0.0 20,-0.4 -0.298 92.2 -3.6 -51.9 108.5 0.8 -6.4 27.8 17 19 A G T 3 S- 0 0 0 -2,-0.3 268,-0.1 17,-0.2 15,-0.1 0.718 90.6-147.7 76.9 24.9 2.1 -5.7 24.3 18 20 A A < + 0 0 0 -3,-2.9 2,-0.2 266,-0.2 252,-0.2 0.126 39.5 144.4 -28.2 110.6 5.5 -7.3 25.0 19 21 A E E +H 32 0C 7 13,-2.7 13,-2.8 -3,-0.1 54,-0.2 -0.831 28.8 42.1-145.4-178.5 7.9 -5.3 22.9 20 22 A G E - 0 0 2 52,-0.8 53,-0.1 -2,-0.2 -1,-0.1 0.732 61.4-162.6 42.7 47.3 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 -0.252 20.7 165.4 -57.6 135.0 13.6 -6.7 23.9 22 24 A V E -H 30 0C 0 8,-2.3 8,-3.1 250,-0.1 2,-0.4 -0.999 32.8-147.5-157.0 148.2 17.0 -5.4 24.8 23 25 A F E -H 29 0C 2 -2,-0.3 6,-0.2 6,-0.2 53,-0.2 -0.929 21.6-144.7-113.5 139.3 20.2 -6.3 26.6 24 26 A D > - 0 0 4 4,-2.2 3,-1.7 -2,-0.4 57,-0.1 -0.316 40.2 -83.1 -92.2-173.5 22.4 -3.6 28.3 25 27 A K T 3 S+ 0 0 93 1,-0.3 -1,-0.0 52,-0.2 56,-0.0 0.609 128.4 54.2 -66.0 -10.2 26.2 -3.4 28.6 26 28 A N T 3 S- 0 0 120 2,-0.1 -1,-0.3 55,-0.0 3,-0.1 0.353 119.5-104.6-104.8 3.2 26.0 -5.7 31.7 27 29 A G S < S+ 0 0 40 -3,-1.7 2,-0.2 1,-0.3 -2,-0.1 0.546 71.7 147.2 85.4 5.0 24.0 -8.5 30.0 28 30 A D - 0 0 57 22,-0.1 -4,-2.2 1,-0.0 2,-0.4 -0.548 41.7-133.8 -77.5 142.7 20.8 -7.5 31.8 29 31 A F E -HI 23 49C 2 20,-0.6 20,-2.3 -6,-0.2 2,-0.3 -0.832 23.1-175.9-102.4 137.2 17.6 -8.1 29.8 30 32 A Y E -HI 22 48C 0 -8,-3.1 -8,-2.3 -2,-0.4 2,-0.3 -0.951 7.7-174.5-133.0 151.2 14.7 -5.6 29.4 31 33 A I E - I 0 47C 1 16,-2.5 16,-3.4 -2,-0.3 2,-0.4 -0.968 18.0-135.3-140.1 149.0 11.3 -5.5 27.8 32 34 A V E -HI 19 46C 0 -13,-2.8 -13,-2.7 -2,-0.3 14,-0.2 -0.888 3.2-156.9-109.0 144.2 8.7 -2.8 27.3 33 35 A A E > + I 0 45C 0 12,-3.3 12,-1.9 -2,-0.4 3,-1.1 -0.775 20.4 169.1-116.2 80.5 5.0 -3.2 28.0 34 36 A P T 3 + 0 0 9 0, 0.0 9,-0.4 0, 0.0 10,-0.2 0.883 69.6 58.6 -61.6 -37.9 3.4 -0.5 25.8 35 37 A E T 3 + 0 0 104 -19,-1.1 2,-0.3 7,-0.1 -18,-0.2 0.292 69.7 121.4 -82.0 11.0 -0.1 -1.7 26.2 36 38 A V < - 0 0 23 -3,-1.1 7,-2.1 -20,-0.4 2,-0.3 -0.580 44.6-173.2 -73.4 130.6 -0.4 -1.5 30.0 37 39 A E E -K 42 0D 118 -2,-0.3 2,-0.5 5,-0.2 -2,-0.0 -0.931 25.6-151.8-131.2 154.5 -3.3 0.9 30.8 38 40 A V E > S-K 41 0D 71 3,-2.7 3,-1.9 -2,-0.3 -2,-0.0 -0.973 85.3 -22.9-126.8 111.6 -4.9 2.6 33.8 39 41 A N T 3 S- 0 0 174 -2,-0.5 -1,-0.1 1,-0.3 0, 0.0 0.900 127.8 -50.8 52.8 45.0 -8.6 3.4 33.6 40 42 A G T 3 S+ 0 0 62 1,-0.2 -1,-0.3 3,-0.0 3,-0.0 0.357 117.2 110.9 79.1 -4.9 -8.4 3.4 29.8 41 43 A K E < S-K 38 0D 136 -3,-1.9 -3,-2.7 1,-0.1 -1,-0.2 -0.780 78.5 -88.6-104.8 148.3 -5.4 5.7 29.7 42 44 A P E +K 37 0D 43 0, 0.0 26,-0.3 0, 0.0 -5,-0.2 -0.178 48.4 158.7 -53.1 136.8 -1.8 4.8 28.6 43 45 A A + 0 0 8 -7,-2.1 27,-0.1 -9,-0.4 -6,-0.1 -0.184 19.5 177.8-155.2 46.6 0.5 3.6 31.4 44 46 A G - 0 0 0 25,-2.6 2,-0.3 -10,-0.2 25,-0.3 -0.121 12.9-146.0 -57.6 152.9 3.2 1.7 29.6 45 47 A E E -I 33 0C 36 -12,-1.9 -12,-3.3 26,-0.2 2,-0.5 -0.873 14.8-144.9-128.6 155.9 6.1 0.2 31.4 46 48 A I E -IJ 32 60C 0 14,-3.0 13,-1.9 -2,-0.3 14,-1.7 -0.982 32.6-168.6-116.3 116.8 9.8 -0.5 31.0 47 49 A L E -IJ 31 58C 9 -16,-3.4 -16,-2.5 -2,-0.5 2,-0.5 -0.840 23.8-147.9-116.9 149.7 10.8 -3.8 32.7 48 50 A R E -IJ 30 57C 77 9,-3.1 9,-1.9 -2,-0.3 2,-0.5 -0.930 20.9-156.9-108.2 129.2 13.9 -5.7 33.7 49 51 A I E -IJ 29 56C 3 -20,-2.3 2,-0.7 -2,-0.5 -20,-0.6 -0.947 14.6-134.1-110.5 128.0 13.5 -9.5 33.5 50 52 A D > - 0 0 77 5,-2.7 4,-3.6 -2,-0.5 3,-0.4 -0.733 16.1-159.2 -78.6 117.9 15.7 -11.8 35.5 51 53 A L T 4 S+ 0 0 64 -2,-0.7 -1,-0.2 1,-0.2 -23,-0.0 0.777 87.4 60.4 -69.8 -26.4 16.7 -14.4 32.9 52 54 A K T 4 S+ 0 0 198 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.0 0.804 129.1 9.3 -70.0 -29.3 17.6 -17.0 35.6 53 55 A T T 4 S- 0 0 93 -3,-0.4 -2,-0.2 2,-0.1 -1,-0.1 0.665 90.2-123.8-121.9 -33.5 14.1 -16.9 37.0 54 56 A G < + 0 0 13 -4,-3.6 -41,-0.3 1,-0.3 2,-0.2 0.488 56.6 152.5 95.5 2.3 11.8 -15.0 34.6 55 57 A K - 0 0 162 -5,-0.3 -5,-2.7 -43,-0.1 -1,-0.3 -0.466 35.6-137.0 -69.8 138.7 10.8 -12.6 37.4 56 58 A K E -J 49 0C 83 -7,-0.2 2,-0.4 -2,-0.2 -7,-0.2 -0.746 21.4-178.9-104.0 146.4 9.8 -9.1 36.4 57 59 A T E -J 48 0C 84 -9,-1.9 -9,-3.1 -2,-0.3 2,-0.7 -0.984 21.0-142.4-141.4 119.7 10.6 -5.7 37.8 58 60 A V E +J 47 0C 68 -2,-0.4 -11,-0.3 -11,-0.2 3,-0.1 -0.802 21.0 176.1 -88.6 115.0 9.2 -2.5 36.3 59 61 A I E + 0 0 34 -13,-1.9 2,-0.3 -2,-0.7 -12,-0.2 0.733 67.2 25.9 -88.0 -24.8 11.9 0.1 36.6 60 62 A C E +J 46 0C 6 -14,-1.7 -14,-3.0 2,-0.1 -1,-0.2 -1.000 43.2 178.9-146.7 138.7 10.1 2.8 34.8 61 63 A K - 0 0 93 -2,-0.3 -16,-0.2 -16,-0.2 -17,-0.1 -0.720 38.4-150.5-135.3 73.5 6.4 3.7 34.2 62 64 A P + 0 0 2 0, 0.0 7,-2.2 0, 0.0 2,-0.3 -0.221 26.0 162.4 -57.3 132.8 7.1 7.0 32.2 63 65 A E E -L 68 0E 101 5,-0.2 2,-0.5 -20,-0.1 5,-0.2 -0.987 22.4-155.9-150.6 142.8 4.7 9.9 32.2 64 66 A V E > S-L 67 0E 23 3,-2.5 3,-1.5 -2,-0.3 0, 0.0 -0.966 78.9 -21.9-128.4 113.6 5.0 13.5 31.2 65 67 A N T 3 S- 0 0 130 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.854 130.5 -45.3 58.2 39.8 2.7 16.1 32.7 66 68 A G T 3 S+ 0 0 55 1,-0.2 2,-0.7 0, 0.0 -1,-0.3 0.433 112.5 122.5 87.1 -3.7 0.1 13.4 33.5 67 69 A Y E < -L 64 0E 99 -3,-1.5 -3,-2.5 71,-0.0 -1,-0.2 -0.854 55.4-141.6 -98.2 115.2 0.4 11.8 30.1 68 70 A G E -L 63 0E 14 -2,-0.7 -5,-0.2 -26,-0.3 -25,-0.2 -0.343 17.8-127.6 -70.1 150.8 1.3 8.1 30.3 69 71 A G - 0 0 0 -7,-2.2 -25,-2.6 -25,-0.3 -26,-0.1 -0.483 6.5-144.5 -97.5 170.6 3.7 6.7 27.7 70 72 A I - 0 0 26 -2,-0.2 18,-2.4 -27,-0.1 2,-0.3 -0.687 22.8-164.1-129.9 70.5 3.5 3.8 25.3 71 73 A P E +M 87 0F 0 0, 0.0 16,-0.3 0, 0.0 -26,-0.2 -0.475 20.9 160.8 -61.6 122.7 7.2 2.6 25.3 72 74 A A E + 0 0 2 14,-3.0 -52,-0.8 -2,-0.3 2,-0.3 0.632 49.5 28.1-121.1 -20.5 7.5 0.3 22.3 73 75 A G E -M 86 0F 0 13,-1.3 13,-2.2 -54,-0.2 2,-0.3 -0.997 58.0-159.0-147.7 154.8 11.1 -0.1 21.2 74 76 A C E +M 85 0F 4 -2,-0.3 2,-0.3 11,-0.2 46,-0.2 -0.923 14.8 176.6-139.1 159.5 14.6 -0.1 22.7 75 77 A Q E -M 84 0F 9 9,-1.4 9,-3.1 -2,-0.3 2,-0.4 -0.961 29.4-129.1-152.8 135.8 18.4 0.3 22.0 76 78 A C E -M 83 0F 2 -2,-0.3 228,-0.5 7,-0.2 7,-0.2 -0.765 25.3-124.4 -92.6 140.8 21.1 0.3 24.6 77 79 A D - 0 0 18 5,-3.0 -52,-0.2 -2,-0.4 5,-0.1 -0.368 9.7-145.7 -76.7 163.1 23.6 3.2 24.5 78 80 A R S S+ 0 0 34 3,-0.1 -1,-0.1 -2,-0.1 230,-0.1 0.897 90.5 42.8 -95.7 -56.5 27.4 2.6 24.2 79 81 A D S S+ 0 0 95 1,-0.1 2,-0.3 228,-0.1 -1,-0.1 0.616 126.1 27.6 -69.3 -14.9 29.2 5.3 26.2 80 82 A A S S- 0 0 37 2,-0.1 2,-2.0 0, 0.0 -3,-0.2 -0.989 86.1-114.2-146.9 142.5 26.7 5.1 29.1 81 83 A N S S+ 0 0 37 -2,-0.3 16,-0.6 -5,-0.1 2,-0.3 -0.554 73.2 121.7 -80.0 77.6 24.6 2.1 30.3 82 84 A Q E - 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