==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-JAN-10 3LI3 . COMPND 2 MOLECULE: DIISOPROPYL-FLUOROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LOLIGO VULGARIS; . AUTHOR J.C.-H.CHEN . 313 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13536.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 64.9 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 42.2 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 2 A E 0 0 150 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 134.3 -12.2 23.8 1.2 2 3 A I - 0 0 76 1,-0.1 258,-0.1 258,-0.1 257,-0.1 -0.429 360.0-116.4 -63.6 121.9 -10.6 21.6 -1.6 3 4 A P - 0 0 77 0, 0.0 258,-1.9 0, 0.0 2,-0.4 -0.319 30.5-157.2 -61.6 142.8 -9.0 23.9 -4.2 4 5 A V E -a 261 0A 66 256,-0.2 2,-0.3 258,-0.1 258,-0.2 -0.982 4.9-161.1-125.8 133.1 -10.6 23.7 -7.6 5 6 A I E -a 262 0A 53 256,-2.6 258,-2.5 -2,-0.4 255,-0.0 -0.847 8.1-156.0-113.1 151.7 -9.0 24.6 -10.9 6 7 A E - 0 0 154 -2,-0.3 258,-0.1 256,-0.2 256,-0.1 -0.713 20.4-176.4-125.8 78.5 -10.7 25.3 -14.2 7 8 A P - 0 0 32 0, 0.0 2,-0.5 0, 0.0 289,-0.1 -0.239 38.3 -89.9 -71.5 165.4 -8.2 24.6 -17.1 8 9 A L - 0 0 146 287,-0.1 2,-0.5 2,-0.0 287,-0.4 -0.668 41.4-155.2 -78.9 121.5 -9.1 25.3 -20.7 9 10 A F - 0 0 21 -2,-0.5 2,-0.5 285,-0.1 285,-0.2 -0.860 4.3-161.2-100.9 131.1 -10.6 22.2 -22.3 10 11 A T E -E 293 0B 63 283,-2.6 283,-1.7 -2,-0.5 2,-0.2 -0.948 19.9-125.3-113.0 126.6 -10.3 21.8 -26.1 11 12 A K E +E 292 0B 90 -2,-0.5 281,-0.3 281,-0.2 3,-0.1 -0.508 26.6 179.3 -71.7 133.7 -12.7 19.4 -27.8 12 13 A V E - 0 0 27 279,-3.3 2,-0.3 1,-0.4 280,-0.2 0.847 61.4 -25.9 -99.2 -51.3 -10.8 16.7 -29.9 13 14 A T E -E 291 0B 14 278,-1.3 278,-2.8 37,-0.0 -1,-0.4 -0.958 59.0-162.7-157.2 168.3 -13.7 14.7 -31.4 14 15 A E + 0 0 85 -2,-0.3 276,-0.2 276,-0.3 275,-0.1 -0.853 53.9 67.6-148.1-177.4 -17.3 13.7 -30.7 15 16 A D + 0 0 116 273,-0.8 275,-0.2 274,-0.5 -1,-0.1 0.917 59.7 138.2 65.0 47.1 -20.1 11.3 -31.4 16 17 A I > - 0 0 2 273,-2.5 3,-2.3 272,-0.2 -1,-0.2 -0.888 54.6-128.8-124.1 97.4 -18.4 8.2 -29.8 17 18 A P T 3 S- 0 0 48 0, 0.0 19,-1.5 0, 0.0 20,-0.3 -0.225 88.9 -7.1 -49.8 113.6 -21.0 6.2 -27.8 18 19 A G T 3 S- 0 0 0 17,-0.2 268,-0.1 16,-0.2 15,-0.1 0.748 89.7-146.9 69.5 25.1 -19.7 5.6 -24.3 19 20 A A < + 0 0 0 -3,-2.3 2,-0.2 266,-0.2 15,-0.2 0.129 37.2 149.4 -27.2 118.6 -16.3 7.1 -25.2 20 21 A E E +H 33 0C 8 13,-2.4 13,-2.5 -3,-0.1 54,-0.2 -0.824 28.3 39.7-147.9-178.2 -13.7 5.1 -23.2 21 22 A G E - 0 0 2 52,-0.8 -1,-0.1 -2,-0.2 53,-0.1 0.766 59.4-164.5 38.4 54.2 -10.2 3.6 -22.9 22 23 A P E + 0 0 3 0, 0.0 2,-0.3 0, 0.0 10,-0.2 -0.413 20.1 162.8 -65.8 138.5 -8.1 6.4 -24.3 23 24 A V E -H 31 0C 1 8,-2.1 8,-2.9 -2,-0.1 2,-0.4 -0.994 33.8-142.3-157.9 150.3 -4.6 5.1 -25.1 24 25 A F E -H 30 0C 4 -2,-0.3 6,-0.2 6,-0.2 53,-0.2 -0.938 22.5-145.0-112.9 137.7 -1.5 6.0 -27.2 25 26 A D > - 0 0 6 4,-2.3 3,-1.3 -2,-0.4 57,-0.1 -0.222 37.5 -85.7 -91.2-171.8 0.5 3.2 -28.8 26 27 A K T 3 S+ 0 0 92 1,-0.3 -1,-0.1 52,-0.1 56,-0.0 0.679 127.2 53.6 -68.9 -17.3 4.2 3.0 -29.4 27 28 A N T 3 S- 0 0 121 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.435 120.1-105.3 -95.4 -1.5 4.0 5.1 -32.6 28 29 A G S < S+ 0 0 41 -3,-1.3 2,-0.2 1,-0.3 -2,-0.1 0.514 71.9 145.5 90.8 4.3 2.2 7.9 -30.9 29 30 A D - 0 0 67 1,-0.0 -4,-2.3 22,-0.0 2,-0.4 -0.490 43.3-131.2 -76.3 149.2 -1.1 7.0 -32.5 30 31 A F E -HI 24 50C 1 20,-0.6 20,-2.9 -6,-0.2 2,-0.3 -0.875 24.5-177.9-109.0 131.6 -4.3 7.7 -30.4 31 32 A Y E +HI 23 49C 0 -8,-2.9 -8,-2.1 -2,-0.4 2,-0.3 -0.907 6.3 179.5-126.8 154.6 -7.1 5.2 -29.9 32 33 A I E - I 0 48C 0 16,-2.2 16,-3.2 -2,-0.3 2,-0.3 -0.961 20.3-131.6-145.9 155.4 -10.4 5.2 -28.1 33 34 A V E -HI 20 47C 0 -13,-2.5 -13,-2.4 -2,-0.3 14,-0.2 -0.860 2.5-154.9-114.1 152.1 -13.1 2.6 -27.6 34 35 A A E > + I 0 46C 0 12,-2.9 12,-1.7 -2,-0.3 3,-1.0 -0.791 18.9 171.3-123.2 84.4 -16.9 3.0 -28.1 35 36 A P T 3 S+ 0 0 12 0, 0.0 10,-0.3 0, 0.0 9,-0.2 0.759 70.4 59.7 -66.6 -25.1 -18.5 0.3 -25.9 36 37 A E T 3 + 0 0 108 -19,-1.5 2,-0.4 7,-0.1 -18,-0.2 0.231 68.0 122.8 -94.1 15.8 -22.1 1.5 -26.4 37 38 A V < - 0 0 25 -3,-1.0 7,-2.3 -20,-0.3 2,-0.4 -0.633 42.7-172.5 -76.4 128.5 -22.4 1.2 -30.1 38 39 A E E -K 43 0D 122 -2,-0.4 2,-0.5 5,-0.2 -2,-0.1 -0.953 21.6-162.5-129.0 146.6 -25.4 -1.0 -30.9 39 40 A V E > S-K 42 0D 75 3,-2.4 3,-1.4 -2,-0.4 -2,-0.0 -0.976 84.5 -13.6-127.4 114.5 -26.9 -2.6 -34.0 40 41 A N T 3 S- 0 0 154 -2,-0.5 -1,-0.1 1,-0.3 0, 0.0 0.835 127.5 -57.6 64.1 33.1 -30.4 -3.9 -33.7 41 42 A G T 3 S+ 0 0 59 1,-0.3 -1,-0.3 3,-0.0 3,-0.0 0.423 116.6 111.4 79.5 -3.4 -30.3 -3.6 -30.0 42 43 A K E < S-K 39 0D 148 -3,-1.4 -3,-2.4 1,-0.1 -1,-0.3 -0.764 79.0 -89.1-105.2 151.8 -27.3 -5.9 -29.8 43 44 A P E +K 38 0D 45 0, 0.0 26,-0.3 0, 0.0 -5,-0.2 -0.284 47.2 160.1 -58.5 136.3 -23.7 -5.0 -28.8 44 45 A A + 0 0 10 -7,-2.3 27,-0.1 -9,-0.2 -6,-0.1 -0.214 19.9 178.6-151.3 45.7 -21.5 -3.9 -31.7 45 46 A G - 0 0 0 25,-2.4 25,-0.3 -10,-0.3 2,-0.3 -0.085 11.4-149.1 -54.6 151.6 -18.7 -2.0 -29.8 46 47 A E E -I 34 0C 39 -12,-1.7 -12,-2.9 26,-0.2 2,-0.5 -0.867 15.0-143.9-128.8 158.5 -15.9 -0.5 -31.8 47 48 A I E -IJ 33 61C 0 14,-2.6 13,-2.1 -2,-0.3 14,-1.5 -0.987 31.6-167.3-118.0 124.3 -12.2 0.3 -31.4 48 49 A L E -IJ 32 59C 6 -16,-3.2 -16,-2.2 -2,-0.5 2,-0.4 -0.872 22.5-146.1-122.3 151.4 -11.2 3.5 -33.1 49 50 A R E -IJ 31 58C 73 9,-2.7 9,-1.7 -2,-0.3 2,-0.4 -0.911 23.3-152.7-106.6 136.6 -8.1 5.4 -34.1 50 51 A I E -IJ 30 57C 4 -20,-2.9 2,-0.7 -2,-0.4 -20,-0.6 -0.940 12.3-135.9-116.8 133.0 -8.3 9.2 -34.0 51 52 A D > - 0 0 76 5,-2.3 4,-2.8 -2,-0.4 5,-0.2 -0.767 14.2-155.2 -83.8 115.5 -6.4 11.6 -36.1 52 53 A L T 4 S+ 0 0 67 -2,-0.7 -1,-0.2 1,-0.2 -23,-0.0 0.657 88.4 55.7 -67.3 -15.7 -5.3 14.3 -33.6 53 54 A K T 4 S+ 0 0 192 3,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.928 126.2 13.5 -81.7 -48.9 -5.0 16.9 -36.4 54 55 A T T 4 S- 0 0 96 2,-0.1 -2,-0.2 -3,-0.0 3,-0.1 0.681 91.6-127.3-101.2 -24.1 -8.5 16.7 -37.9 55 56 A G < + 0 0 10 -4,-2.8 -41,-0.2 1,-0.3 -3,-0.1 0.518 55.7 152.4 86.5 4.5 -10.4 14.7 -35.2 56 57 A K - 0 0 151 -5,-0.2 -5,-2.3 -43,-0.1 2,-0.3 -0.403 35.8-135.1 -70.7 147.1 -11.6 12.3 -37.8 57 58 A K E -J 50 0C 75 -7,-0.2 2,-0.4 -3,-0.1 -7,-0.2 -0.755 17.3-170.3-108.5 150.2 -12.3 8.7 -36.7 58 59 A T E -J 49 0C 78 -9,-1.7 -9,-2.7 -2,-0.3 2,-0.7 -0.983 19.5-139.4-138.0 123.2 -11.4 5.3 -38.2 59 60 A V E +J 48 0C 69 -2,-0.4 -11,-0.2 -11,-0.2 3,-0.1 -0.750 25.8 171.5 -84.3 115.5 -12.9 2.1 -36.9 60 61 A I E + 0 0 27 -13,-2.1 2,-0.3 -2,-0.7 -1,-0.2 0.706 64.6 18.7 -96.5 -22.6 -10.1 -0.4 -36.9 61 62 A C E -J 47 0C 6 -14,-1.5 -14,-2.6 2,-0.0 -1,-0.3 -0.984 43.1-175.1-154.4 137.9 -11.9 -3.2 -35.1 62 63 A K - 0 0 92 -2,-0.3 -16,-0.2 -16,-0.2 -17,-0.1 -0.772 37.0-142.7-129.5 79.5 -15.5 -4.3 -34.2 63 64 A P + 0 0 2 0, 0.0 7,-2.2 0, 0.0 2,-0.3 -0.121 30.4 161.9 -50.6 135.0 -14.8 -7.3 -32.0 64 65 A E E -L 69 0E 108 5,-0.2 2,-0.5 -20,-0.1 5,-0.2 -0.951 20.6-164.7-158.3 134.8 -17.1 -10.3 -32.3 65 66 A V E > S-L 68 0E 22 3,-2.3 3,-1.7 -2,-0.3 74,-0.0 -0.974 77.5 -21.8-128.1 116.9 -16.8 -13.9 -31.2 66 67 A N T 3 S- 0 0 140 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.865 129.4 -46.7 53.8 41.5 -19.2 -16.6 -32.6 67 68 A G T 3 S+ 0 0 57 1,-0.2 2,-0.7 0, 0.0 -1,-0.3 0.411 111.9 121.7 84.9 -3.3 -21.8 -13.9 -33.4 68 69 A Y E < -L 65 0E 100 -3,-1.7 -3,-2.3 71,-0.0 -1,-0.2 -0.856 55.3-141.9 -99.0 116.2 -21.5 -12.2 -30.1 69 70 A G E -L 64 0E 10 -2,-0.7 -5,-0.2 -26,-0.3 -25,-0.2 -0.370 18.3-121.4 -74.3 153.1 -20.6 -8.5 -30.4 70 71 A G - 0 0 0 -7,-2.2 -25,-2.4 -25,-0.3 -1,-0.1 -0.393 9.0-148.9 -94.9 170.2 -18.2 -6.9 -27.9 71 72 A I - 0 0 24 -27,-0.1 18,-2.8 -2,-0.1 2,-0.2 -0.687 25.1-165.2-133.2 73.0 -18.4 -4.0 -25.5 72 73 A P E +M 88 0F 0 0, 0.0 16,-0.3 0, 0.0 -26,-0.2 -0.474 21.0 158.3 -64.5 129.8 -14.7 -2.8 -25.5 73 74 A A E + 0 0 2 14,-3.5 -52,-0.8 1,-0.3 2,-0.3 0.598 49.2 34.2-131.7 -18.8 -14.2 -0.5 -22.5 74 75 A G E -M 87 0F 0 13,-1.4 13,-2.6 -54,-0.2 2,-0.3 -0.999 56.9-164.4-145.1 149.7 -10.5 -0.2 -21.5 75 76 A C E +M 86 0F 3 -2,-0.3 2,-0.3 11,-0.2 46,-0.2 -0.950 12.8 175.8-137.7 155.9 -7.1 -0.3 -23.1 76 77 A Q E -M 85 0F 9 9,-1.6 9,-3.1 -2,-0.3 2,-0.4 -0.974 28.0-129.2-149.7 140.3 -3.3 -0.6 -22.5 77 78 A C E -M 84 0F 2 -2,-0.3 228,-0.4 7,-0.2 7,-0.2 -0.788 24.9-126.4 -95.2 139.3 -0.5 -0.7 -25.0 78 79 A D - 0 0 19 5,-2.7 -52,-0.1 -2,-0.4 5,-0.1 -0.308 8.9-144.2 -76.2 164.9 2.0 -3.6 -24.8 79 80 A R S S+ 0 0 38 3,-0.1 -1,-0.1 1,-0.1 230,-0.1 0.875 91.4 44.4 -97.4 -50.5 5.7 -2.9 -24.6 80 81 A D S S+ 0 0 86 1,-0.1 2,-0.3 228,-0.1 -1,-0.1 0.543 125.7 24.8 -75.9 -7.0 7.5 -5.6 -26.5 81 82 A A S S- 0 0 39 2,-0.1 2,-1.7 0, 0.0 -3,-0.2 -0.977 85.3-113.2-152.9 144.8 5.0 -5.4 -29.4 82 83 A N S S+ 0 0 36 -2,-0.3 16,-0.6 -5,-0.1 2,-0.3 -0.623 72.4 120.4 -84.7 84.9 2.8 -2.6 -30.6 83 84 A Q E - 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