==== 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 2IAX . 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) . 13421.0 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 . 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 . 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 0 108 0, 0.0 258,-0.2 0, 0.0 257,-0.1 0.000 360.0 360.0 360.0 126.7 11.1 -21.3 1.1 2 4 A P - 0 0 82 0, 0.0 258,-2.4 0, 0.0 2,-0.4 -0.335 360.0-155.2 -60.9 138.8 12.7 -23.7 3.6 3 5 A V E -a 260 0A 63 256,-0.2 2,-0.3 258,-0.1 258,-0.2 -0.966 4.9-160.4-119.0 138.1 11.2 -23.5 7.1 4 6 A I E -a 261 0A 43 256,-2.6 258,-2.7 -2,-0.4 255,-0.0 -0.818 6.7-155.2-113.9 156.3 12.9 -24.4 10.3 5 7 A E + 0 0 158 -2,-0.3 258,-0.1 256,-0.2 256,-0.1 -0.578 19.1 179.6-131.8 72.4 11.3 -25.2 13.6 6 8 A P - 0 0 29 0, 0.0 2,-0.3 0, 0.0 289,-0.0 -0.245 39.5 -92.5 -70.5 161.4 13.6 -24.6 16.5 7 9 A L - 0 0 138 287,-0.1 2,-0.5 256,-0.1 287,-0.5 -0.607 36.2-151.2 -73.7 130.0 12.7 -25.2 20.1 8 10 A F - 0 0 18 -2,-0.3 2,-0.5 285,-0.1 285,-0.2 -0.908 8.6-159.7-101.4 127.9 11.2 -22.0 21.7 9 11 A T E -E 292 0B 62 283,-3.0 283,-1.9 -2,-0.5 2,-0.1 -0.889 23.2-113.4-108.1 132.8 11.8 -21.9 25.5 10 12 A K E +E 291 0B 80 -2,-0.5 281,-0.3 281,-0.2 3,-0.1 -0.404 33.6 174.4 -66.9 139.9 9.6 -19.6 27.6 11 13 A V E - 0 0 18 279,-3.1 2,-0.3 1,-0.4 280,-0.2 0.763 60.9 -23.7-111.8 -52.9 11.3 -16.6 29.3 12 14 A T E -E 290 0B 8 278,-1.5 278,-2.7 37,-0.0 -1,-0.4 -0.976 59.4-143.2-159.2 168.5 8.5 -14.6 30.9 13 15 A E + 0 0 100 41,-0.3 276,-0.2 -2,-0.3 275,-0.1 -0.834 59.3 38.4-137.5 165.5 4.8 -14.0 30.7 14 16 A D + 0 0 115 273,-0.6 275,-0.2 274,-0.4 -1,-0.2 0.934 60.1 145.5 59.9 58.9 1.9 -11.5 31.0 15 17 A I > - 0 0 2 273,-2.7 3,-2.3 272,-0.2 2,-0.2 -0.922 49.6-127.5-125.6 99.3 3.5 -8.4 29.4 16 18 A P T 3 S- 0 0 52 0, 0.0 19,-1.7 0, 0.0 20,-0.4 -0.309 90.2 -6.9 -56.9 118.1 0.9 -6.4 27.5 17 19 A G T 3 S- 0 0 1 -2,-0.2 268,-0.1 17,-0.2 15,-0.1 0.721 90.8-149.0 69.9 25.0 2.2 -5.7 24.0 18 20 A A < + 0 0 0 -3,-2.3 2,-0.3 266,-0.3 15,-0.2 0.125 37.0 142.9 -32.0 126.7 5.5 -7.2 24.9 19 21 A E E +H 32 0C 7 13,-2.4 13,-2.7 -3,-0.1 54,-0.2 -0.834 28.6 49.7-155.5 177.8 8.1 -5.3 22.8 20 22 A G E - 0 0 2 52,-0.7 53,-0.1 -2,-0.3 -1,-0.1 0.772 57.4-167.7 50.9 42.9 11.6 -3.9 22.7 21 23 A P E + 0 0 4 0, 0.0 2,-0.3 0, 0.0 10,-0.2 -0.398 20.4 161.5 -62.5 136.2 13.7 -6.8 24.0 22 24 A V E -H 30 0C 0 8,-2.0 8,-2.6 250,-0.1 2,-0.4 -0.995 35.0-141.4-157.2 146.8 17.2 -5.5 24.7 23 25 A F E -H 29 0C 4 -2,-0.3 53,-0.3 6,-0.2 6,-0.2 -0.931 21.9-143.1-106.8 141.6 20.4 -6.3 26.7 24 26 A D > - 0 0 5 4,-2.5 3,-1.5 -2,-0.4 57,-0.1 -0.202 38.3 -85.9 -91.0-175.0 22.4 -3.6 28.4 25 27 A K T 3 S+ 0 0 92 1,-0.3 -1,-0.1 52,-0.1 56,-0.0 0.677 128.8 50.6 -69.2 -17.3 26.2 -3.4 28.7 26 28 A N T 3 S- 0 0 124 2,-0.1 -1,-0.3 55,-0.0 55,-0.0 0.360 121.0-104.8 -98.9 5.0 26.2 -5.6 31.8 27 29 A G S < S+ 0 0 39 -3,-1.5 2,-0.2 1,-0.3 -2,-0.1 0.587 70.6 145.7 82.9 7.3 24.0 -8.3 30.2 28 30 A D - 0 0 75 22,-0.0 -4,-2.5 1,-0.0 2,-0.4 -0.548 42.5-132.0 -77.0 151.8 20.8 -7.4 32.0 29 31 A F E -HI 23 49C 1 20,-0.6 20,-2.7 -6,-0.2 2,-0.3 -0.879 24.1-177.8-112.8 135.8 17.6 -8.0 30.0 30 32 A Y E -HI 22 48C 1 -8,-2.6 -8,-2.0 -2,-0.4 2,-0.3 -0.921 6.9-173.6-131.6 153.8 14.8 -5.6 29.6 31 33 A I E - I 0 47C 0 16,-2.1 16,-3.2 -2,-0.3 2,-0.4 -0.955 18.7-131.8-137.8 154.9 11.4 -5.5 27.8 32 34 A V E -HI 19 46C 0 -13,-2.7 -13,-2.4 -2,-0.3 14,-0.2 -0.883 3.9-158.1-110.1 150.5 8.8 -2.9 27.3 33 35 A A E > + I 0 45C 1 12,-2.9 12,-1.7 -2,-0.4 3,-1.2 -0.810 20.0 169.9-121.9 75.7 5.0 -3.3 27.9 34 36 A P T 3 + 0 0 6 0, 0.0 10,-0.3 0, 0.0 9,-0.2 0.791 69.6 57.2 -60.4 -31.1 3.6 -0.5 25.7 35 37 A E T 3 + 0 0 113 -19,-1.7 2,-0.2 -3,-0.1 -18,-0.2 0.284 68.1 124.2 -99.6 14.3 -0.0 -1.6 26.1 36 38 A V < - 0 0 21 -3,-1.2 7,-2.7 -20,-0.4 2,-0.3 -0.507 42.4-171.5 -69.3 131.5 -0.5 -1.5 29.9 37 39 A E E -K 42 0D 125 -2,-0.2 2,-0.4 5,-0.2 -2,-0.1 -0.944 20.6-159.4-129.5 148.8 -3.4 0.8 30.6 38 40 A V E > S-K 41 0D 76 3,-2.3 3,-1.7 -2,-0.3 -2,-0.0 -0.996 85.6 -11.8-127.6 121.3 -4.9 2.3 33.8 39 41 A N T 3 S- 0 0 139 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 0.875 129.4 -57.8 54.6 37.6 -8.5 3.4 33.6 40 42 A G T 3 S+ 0 0 58 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.577 116.3 109.1 75.0 7.9 -8.4 3.1 29.8 41 43 A K E < S-K 38 0D 137 -3,-1.7 -3,-2.3 1,-0.1 -1,-0.2 -0.850 80.8 -82.4-115.0 156.3 -5.4 5.5 29.5 42 44 A P E +K 37 0D 43 0, 0.0 26,-0.4 0, 0.0 -5,-0.2 -0.280 50.4 157.0 -60.7 138.7 -1.8 4.7 28.6 43 45 A A + 0 0 12 -7,-2.7 27,-0.1 -9,-0.2 -6,-0.1 -0.228 21.8 174.9-153.5 47.9 0.4 3.5 31.5 44 46 A G - 0 0 0 25,-2.4 25,-0.3 -10,-0.3 2,-0.3 -0.117 13.3-147.3 -67.2 160.8 3.1 1.6 29.6 45 47 A E E -I 33 0C 36 -12,-1.7 -12,-2.9 26,-0.2 2,-0.5 -0.874 17.2-142.6-133.9 154.8 6.1 0.2 31.4 46 48 A I E -IJ 32 60C 0 14,-2.7 13,-2.2 -2,-0.3 14,-1.7 -0.989 33.7-166.4-115.6 124.3 9.8 -0.6 31.1 47 49 A L E -IJ 31 58C 6 -16,-3.2 -16,-2.1 -2,-0.5 2,-0.4 -0.881 21.6-145.6-118.1 142.8 10.7 -3.9 32.8 48 50 A R E -IJ 30 57C 68 9,-2.7 9,-2.5 -2,-0.4 2,-0.5 -0.880 22.6-152.5 -96.9 136.0 13.8 -5.7 33.9 49 51 A I E -IJ 29 56C 5 -20,-2.7 2,-0.8 -2,-0.4 -20,-0.6 -0.959 12.1-138.2-112.6 126.8 13.6 -9.5 33.6 50 52 A D >> - 0 0 77 5,-2.5 4,-2.5 -2,-0.5 3,-1.0 -0.764 16.4-155.5 -78.1 109.5 15.5 -11.9 35.8 51 53 A L T 34 S+ 0 0 72 -2,-0.8 -1,-0.1 1,-0.2 -23,-0.0 0.704 87.1 56.9 -63.0 -20.2 16.5 -14.5 33.2 52 54 A K T 34 S+ 0 0 188 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.674 124.6 16.5 -82.7 -26.4 16.9 -17.2 35.8 53 55 A T T <4 S- 0 0 84 -3,-1.0 -2,-0.2 2,-0.1 -1,-0.1 0.488 92.6-123.8-123.6 -16.2 13.4 -17.0 37.2 54 56 A G < + 0 0 16 -4,-2.5 -41,-0.3 1,-0.3 -3,-0.1 0.450 58.2 151.8 80.4 -0.9 11.4 -15.1 34.7 55 57 A K - 0 0 156 -5,-0.3 -5,-2.5 -43,-0.1 2,-0.4 -0.396 34.6-141.7 -69.3 144.9 10.4 -12.6 37.3 56 58 A K E -J 49 0C 85 -7,-0.2 2,-0.4 -3,-0.1 -7,-0.2 -0.822 15.4-171.8-109.6 138.3 9.6 -9.1 36.2 57 59 A T E -J 48 0C 84 -9,-2.5 -9,-2.7 -2,-0.4 2,-0.8 -0.999 21.5-136.5-125.8 129.5 10.4 -5.7 37.9 58 60 A V E +J 47 0C 65 -2,-0.4 -11,-0.3 -11,-0.2 3,-0.1 -0.748 25.9 173.8 -82.9 112.8 8.9 -2.5 36.6 59 61 A I E + 0 0 28 -13,-2.2 2,-0.3 -2,-0.8 -12,-0.2 0.776 66.2 16.3 -89.7 -25.3 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 -0.990 45.2-178.0-151.0 137.1 10.0 2.9 34.8 61 63 A K - 0 0 89 -2,-0.3 -16,-0.2 -16,-0.2 -17,-0.1 -0.763 37.1-148.4-132.8 79.3 6.3 3.7 34.1 62 64 A P + 0 0 2 0, 0.0 7,-2.6 0, 0.0 2,-0.3 -0.208 27.7 163.0 -70.4 137.0 6.9 7.0 32.2 63 65 A E E -L 68 0E 100 5,-0.3 2,-0.5 -20,-0.1 5,-0.3 -0.977 20.1-159.3-143.0 144.1 4.5 9.9 32.3 64 66 A V E > S-L 67 0E 25 3,-2.1 3,-2.0 -2,-0.3 0, 0.0 -0.987 81.4 -18.9-126.9 115.8 5.0 13.6 31.3 65 67 A N T 3 S- 0 0 135 -2,-0.5 3,-0.1 1,-0.3 -1,-0.1 0.812 130.8 -49.6 57.9 34.2 2.6 16.1 32.7 66 68 A G T 3 S+ 0 0 64 1,-0.2 2,-0.8 0, 0.0 -1,-0.3 0.329 110.6 123.5 88.8 -7.8 0.1 13.3 33.4 67 69 A Y E < -L 64 0E 102 -3,-2.0 -3,-2.1 71,-0.0 -1,-0.2 -0.802 55.7-140.9 -88.9 112.0 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 -0.365 17.6-116.5 -70.2 150.0 1.4 8.2 30.3 69 71 A G - 0 0 0 -7,-2.6 -25,-2.4 -25,-0.3 -1,-0.1 -0.376 8.9-151.0 -82.4 162.8 3.8 6.6 27.8 70 72 A I - 0 0 23 -27,-0.1 18,-2.8 -28,-0.1 2,-0.4 -0.707 25.5-166.8-124.9 72.6 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 -0.547 19.6 159.8 -69.2 125.4 7.1 2.6 25.3 72 74 A A E + 0 0 2 14,-3.3 -52,-0.7 -2,-0.4 2,-0.3 0.533 49.8 26.9-128.8 -15.8 7.6 0.3 22.3 73 75 A G E -M 86 0F 0 13,-1.5 13,-2.2 -54,-0.2 2,-0.3 -0.993 57.8-170.2-153.9 155.2 11.2 -0.1 21.3 74 76 A C E +M 85 0F 2 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.996 12.7 178.5-153.1 142.8 14.6 0.1 22.9 75 77 A Q E -M 84 0F 18 9,-2.3 9,-3.3 -2,-0.3 2,-0.3 -0.989 29.8-122.7-134.9 151.8 18.3 0.2 22.2 76 78 A C E -M 83 0F 3 -2,-0.3 228,-0.4 -53,-0.3 7,-0.2 -0.698 26.1-124.3 -91.2 142.7 21.2 0.5 24.8 77 79 A D - 0 0 17 5,-2.9 -52,-0.1 -2,-0.3 5,-0.1 -0.270 8.5-142.7 -75.7 164.7 23.7 3.3 24.5 78 80 A R S S+ 0 0 34 3,-0.1 -1,-0.1 48,-0.1 230,-0.1 0.874 92.2 45.7 -94.1 -52.4 27.5 2.7 24.3 79 81 A D S S+ 0 0 94 1,-0.1 2,-0.3 228,-0.1 -1,-0.1 0.653 125.3 22.7 -75.9 -16.7 29.1 5.5 26.2 80 82 A A S S- 0 0 40 2,-0.2 2,-1.8 0, 0.0 -3,-0.2 -0.983 85.4-113.3-141.2 151.9 26.8 5.2 29.2 81 83 A N S S+ 0 0 36 -2,-0.3 16,-0.6 -5,-0.1 2,-0.3 -0.597 72.7 122.2 -88.6 84.4 24.6 2.3 30.3 82 84 A Q E - 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