==== 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 3LI4 . COMPND 2 MOLECULE: DIISOPROPYL-FLUOROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LOLIGO VULGARIS; . AUTHOR J.C.-H.CHEN . 312 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13162.0 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 . 32 10.3 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 0 108 0, 0.0 258,-0.1 0, 0.0 257,-0.1 0.000 360.0 360.0 360.0 123.7 -10.3 21.3 -0.9 2 4 A P - 0 0 84 0, 0.0 258,-2.1 0, 0.0 2,-0.4 -0.271 360.0-158.4 -58.8 139.7 -8.6 23.6 -3.5 3 5 A V E -a 260 0A 68 256,-0.2 2,-0.3 258,-0.1 258,-0.2 -0.983 5.2-163.2-125.7 128.4 -10.1 23.4 -6.9 4 6 A I E -a 261 0A 49 256,-2.4 258,-2.4 -2,-0.4 255,-0.0 -0.810 7.5-155.9-107.9 152.7 -8.4 24.4 -10.2 5 7 A E - 0 0 145 -2,-0.3 258,-0.1 256,-0.2 256,-0.1 -0.661 18.9-177.8-127.9 75.6 -10.1 25.0 -13.5 6 8 A P - 0 0 33 0, 0.0 2,-0.4 0, 0.0 289,-0.0 -0.255 39.3 -90.1 -69.4 161.1 -7.6 24.5 -16.3 7 9 A L - 0 0 143 287,-0.1 2,-0.5 256,-0.0 287,-0.4 -0.610 38.3-150.9 -76.6 124.9 -8.7 25.1 -19.9 8 10 A F - 0 0 17 -2,-0.4 2,-0.4 285,-0.1 285,-0.2 -0.844 8.2-158.6 -97.5 130.6 -10.1 22.0 -21.6 9 11 A T E -E 292 0B 66 283,-3.0 283,-1.6 -2,-0.5 2,-0.1 -0.921 22.5-113.7-111.4 133.3 -9.6 21.7 -25.3 10 12 A K E +E 291 0B 82 -2,-0.4 281,-0.3 281,-0.2 3,-0.1 -0.400 33.3 174.3 -66.2 136.9 -11.8 19.5 -27.5 11 13 A V E - 0 0 20 279,-3.1 2,-0.3 1,-0.4 280,-0.2 0.778 61.2 -30.5-108.9 -48.9 -10.1 16.5 -29.1 12 14 A T E -E 290 0B 7 278,-1.4 278,-2.6 37,-0.0 -1,-0.4 -0.972 58.3-152.3-164.4 165.2 -12.9 14.5 -30.8 13 15 A E + 0 0 90 -2,-0.3 276,-0.2 41,-0.2 275,-0.1 -0.843 58.4 55.9-141.9 179.7 -16.6 13.8 -30.3 14 16 A D + 0 0 118 273,-0.6 275,-0.2 274,-0.5 -1,-0.2 0.943 60.2 146.6 60.2 52.9 -19.5 11.4 -30.9 15 17 A I > - 0 0 2 273,-2.7 3,-2.7 272,-0.2 2,-0.2 -0.878 48.3-132.8-119.1 92.5 -17.8 8.5 -29.2 16 18 A P T 3 S- 0 0 50 0, 0.0 19,-1.6 0, 0.0 20,-0.4 -0.258 89.0 -5.1 -52.0 111.8 -20.6 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 0.711 92.3-146.5 75.5 21.5 -19.4 5.7 -24.0 18 20 A A < + 0 0 0 -3,-2.7 2,-0.3 266,-0.2 15,-0.2 0.194 38.8 141.7 -23.5 119.9 -16.0 7.3 -24.6 19 21 A E E +H 32 0C 8 13,-2.3 13,-2.5 1,-0.1 54,-0.2 -0.866 28.6 44.4-154.5-178.0 -13.5 5.4 -22.6 20 22 A G E - 0 0 1 52,-0.9 -1,-0.1 -2,-0.3 53,-0.1 0.775 58.4-165.8 39.5 53.8 -10.0 3.9 -22.3 21 23 A P E + 0 0 3 0, 0.0 2,-0.3 0, 0.0 10,-0.2 -0.433 19.8 163.0 -66.4 138.7 -7.8 6.6 -23.7 22 24 A V E -H 30 0C 0 8,-2.3 8,-2.9 -2,-0.1 2,-0.4 -0.994 33.6-142.0-158.3 150.9 -4.4 5.3 -24.4 23 25 A F E -H 29 0C 1 -2,-0.3 6,-0.2 6,-0.2 53,-0.2 -0.927 21.1-146.0-113.1 138.6 -1.2 6.1 -26.3 24 26 A D > - 0 0 4 4,-2.3 3,-1.6 -2,-0.4 57,-0.1 -0.285 39.3 -83.8 -93.1-172.9 0.9 3.4 -28.0 25 27 A K T 3 S+ 0 0 102 1,-0.3 -1,-0.0 52,-0.1 56,-0.0 0.664 127.9 52.7 -67.5 -16.0 4.6 3.2 -28.5 26 28 A N T 3 S- 0 0 123 2,-0.1 -1,-0.3 55,-0.0 3,-0.1 0.396 119.9-105.9 -98.0 1.1 4.6 5.5 -31.6 27 29 A G S < S+ 0 0 37 -3,-1.6 2,-0.1 1,-0.3 -2,-0.1 0.530 71.1 146.7 88.3 4.4 2.6 8.2 -29.8 28 30 A D - 0 0 62 22,-0.1 -4,-2.3 1,-0.1 2,-0.4 -0.483 42.5-130.5 -74.8 150.3 -0.6 7.4 -31.6 29 31 A F E +HI 23 49C 0 20,-0.7 20,-2.9 -6,-0.2 2,-0.3 -0.858 25.9 178.7-108.9 135.8 -3.8 7.9 -29.6 30 32 A Y E +HI 22 48C 4 -8,-2.9 -8,-2.3 -2,-0.4 2,-0.3 -0.940 6.1 178.1-133.8 155.0 -6.7 5.5 -29.2 31 33 A I E - I 0 47C 0 16,-2.0 16,-3.1 -2,-0.3 2,-0.4 -0.918 22.0-125.9-145.1 166.9 -10.0 5.4 -27.3 32 34 A V E -HI 19 46C 0 -13,-2.5 -13,-2.3 -2,-0.3 14,-0.2 -0.913 3.4-156.2-121.6 150.2 -12.8 2.9 -27.0 33 35 A A E > + I 0 45C 0 12,-2.9 12,-1.9 -2,-0.4 3,-1.2 -0.777 19.5 172.2-121.9 79.8 -16.5 3.4 -27.6 34 36 A P T 3 S+ 0 0 12 0, 0.0 9,-0.3 0, 0.0 10,-0.3 0.783 70.7 59.5 -60.7 -28.6 -18.0 0.6 -25.5 35 37 A E T 3 + 0 0 114 -19,-1.6 2,-0.2 -3,-0.1 -18,-0.2 0.322 68.0 122.0 -89.7 8.9 -21.6 1.7 -26.0 36 38 A V < - 0 0 24 -3,-1.2 7,-2.4 -20,-0.4 2,-0.3 -0.543 43.6-174.4 -70.1 133.4 -21.9 1.5 -29.8 37 39 A E E -K 42 0D 115 -2,-0.2 2,-0.4 5,-0.2 -2,-0.1 -0.937 24.4-156.4-133.2 155.7 -24.8 -0.9 -30.6 38 40 A V E > S-K 41 0D 75 3,-2.5 3,-1.5 -2,-0.3 -2,-0.0 -0.978 86.1 -12.8-132.3 116.4 -26.3 -2.5 -33.7 39 41 A N T 3 S- 0 0 153 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 0.858 129.4 -56.5 60.9 35.2 -29.9 -3.7 -33.5 40 42 A G T 3 S+ 0 0 58 1,-0.2 -1,-0.3 3,-0.0 3,-0.0 0.503 116.5 112.3 76.6 4.3 -29.8 -3.2 -29.7 41 43 A K E < S-K 38 0D 150 -3,-1.5 -3,-2.5 1,-0.1 -1,-0.2 -0.811 78.6 -84.3-111.3 151.8 -26.8 -5.5 -29.4 42 44 A P E +K 37 0D 44 0, 0.0 26,-0.4 0, 0.0 -5,-0.2 -0.213 49.4 156.9 -53.7 135.2 -23.2 -4.8 -28.4 43 45 A A + 0 0 10 -7,-2.4 27,-0.1 -9,-0.3 -6,-0.1 -0.223 22.2 177.5-153.4 44.0 -21.0 -3.6 -31.2 44 46 A G - 0 0 0 25,-2.5 25,-0.3 -10,-0.3 2,-0.3 -0.127 12.8-146.4 -55.2 150.6 -18.3 -1.7 -29.3 45 47 A E E -I 33 0C 34 -12,-1.9 -12,-2.9 26,-0.2 2,-0.5 -0.861 16.1-146.6-127.2 157.3 -15.4 -0.2 -31.1 46 48 A I E -IJ 32 60C 0 14,-2.8 13,-1.9 -2,-0.3 14,-1.7 -0.987 31.5-168.2-118.3 122.2 -11.7 0.6 -30.7 47 49 A L E -IJ 31 58C 6 -16,-3.1 -16,-2.0 -2,-0.5 2,-0.5 -0.851 22.6-144.2-119.9 152.1 -10.7 3.8 -32.4 48 50 A R E -IJ 30 57C 69 9,-2.8 9,-1.8 -2,-0.3 2,-0.5 -0.922 20.1-154.6-107.3 134.7 -7.5 5.6 -33.4 49 51 A I E -IJ 29 56C 1 -20,-2.9 2,-1.0 -2,-0.5 -20,-0.7 -0.957 11.4-140.1-114.5 121.3 -7.8 9.4 -33.2 50 52 A D > - 0 0 40 5,-2.6 4,-1.8 -2,-0.5 5,-0.4 -0.717 15.3-145.9 -80.0 105.7 -5.5 11.5 -35.4 51 53 A L T 4 S+ 0 0 66 -2,-1.0 2,-0.5 3,-0.1 -1,-0.2 0.589 85.4 68.9 -50.8 -12.2 -4.6 14.3 -32.9 52 54 A K T >4 S+ 0 0 145 3,-0.1 3,-0.7 1,-0.1 2,-0.4 -0.941 118.8 1.1-109.5 132.1 -4.5 16.7 -35.9 53 55 A T T 34 S- 0 0 110 -2,-0.5 -2,-0.1 1,-0.2 -1,-0.1 -0.090 100.5-111.7 82.5 -34.9 -8.0 17.3 -37.4 54 56 A G T 3< + 0 0 16 -4,-1.8 -41,-0.2 -2,-0.4 -1,-0.2 0.612 57.6 169.5 83.8 12.2 -9.5 15.0 -34.8 55 57 A K < - 0 0 148 -3,-0.7 -5,-2.6 -5,-0.4 2,-0.3 -0.353 21.3-146.2 -62.0 133.0 -10.4 12.5 -37.5 56 58 A K E -J 49 0C 81 -7,-0.2 2,-0.4 -2,-0.1 -7,-0.2 -0.774 16.2-175.5-105.3 146.3 -11.6 9.2 -36.1 57 59 A T E -J 48 0C 59 -9,-1.8 -9,-2.8 -2,-0.3 2,-0.8 -0.986 22.9-136.1-141.3 128.0 -11.0 5.7 -37.5 58 60 A V E +J 47 0C 67 -2,-0.4 -11,-0.3 -11,-0.2 3,-0.1 -0.751 25.9 173.9 -84.6 111.5 -12.5 2.5 -36.2 59 61 A I E + 0 0 36 -13,-1.9 2,-0.3 -2,-0.8 -12,-0.2 0.749 66.3 20.2 -90.2 -24.3 -9.6 -0.0 -36.2 60 62 A C E -J 46 0C 7 -14,-1.7 -14,-2.8 2,-0.1 -1,-0.3 -0.981 44.5-179.3-150.9 133.9 -11.4 -2.8 -34.4 61 63 A K - 0 0 88 -2,-0.3 -16,-0.2 -16,-0.2 -17,-0.1 -0.751 37.2-147.7-128.1 76.1 -15.1 -3.8 -33.8 62 64 A P + 0 0 2 0, 0.0 7,-2.6 0, 0.0 2,-0.3 -0.164 27.0 164.3 -55.1 134.5 -14.4 -7.0 -31.7 63 65 A E E -L 68 0E 97 5,-0.3 2,-0.5 -20,-0.1 5,-0.2 -0.977 20.7-158.8-151.4 136.2 -16.9 -9.9 -31.9 64 66 A V E > S-L 67 0E 21 3,-2.4 3,-1.9 -2,-0.3 0, 0.0 -0.967 79.6 -23.5-122.8 113.8 -16.4 -13.5 -30.8 65 67 A N T 3 S- 0 0 134 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.847 130.5 -45.3 55.2 39.2 -18.8 -16.0 -32.4 66 68 A G T 3 S+ 0 0 64 1,-0.2 2,-0.7 0, 0.0 -1,-0.3 0.262 111.8 121.6 92.0 -13.4 -21.4 -13.3 -33.1 67 69 A Y E < -L 64 0E 103 -3,-1.9 -3,-2.4 22,-0.0 -1,-0.2 -0.770 56.3-141.6 -89.8 113.7 -21.1 -11.7 -29.7 68 70 A G E -L 63 0E 13 -2,-0.7 -5,-0.3 -26,-0.4 -25,-0.2 -0.368 18.8-121.9 -71.1 151.1 -20.1 -8.1 -30.0 69 71 A G - 0 0 0 -7,-2.6 -25,-2.5 -25,-0.3 -26,-0.1 -0.395 7.6-146.5 -92.9 169.9 -17.7 -6.6 -27.5 70 72 A I - 0 0 22 -27,-0.1 18,-2.7 -28,-0.1 2,-0.2 -0.681 24.7-164.8-130.6 70.8 -18.0 -3.7 -25.0 71 73 A P E +M 87 0F 0 0, 0.0 16,-0.3 0, 0.0 -26,-0.2 -0.460 20.7 159.8 -62.4 126.8 -14.3 -2.6 -25.0 72 74 A A E + 0 0 4 14,-3.2 -52,-0.9 1,-0.3 2,-0.3 0.629 49.2 26.8-126.9 -21.7 -13.9 -0.3 -22.0 73 75 A G E -M 86 0F 0 13,-1.5 13,-2.6 -54,-0.2 2,-0.3 -0.999 56.9-162.1-149.7 151.8 -10.2 0.1 -21.0 74 76 A C E +M 85 0F 4 -2,-0.3 2,-0.3 11,-0.2 46,-0.2 -0.944 13.9 178.7-139.1 157.6 -6.7 -0.1 -22.4 75 77 A Q E -M 84 0F 8 9,-1.6 9,-3.1 -2,-0.3 2,-0.4 -0.969 29.7-127.7-147.4 140.6 -3.0 -0.4 -21.7 76 78 A C E -M 83 0F 2 -2,-0.3 228,-0.4 7,-0.2 7,-0.2 -0.772 25.0-124.0 -94.1 142.6 -0.3 -0.5 -24.3 77 79 A D - 0 0 18 5,-2.8 -52,-0.1 -2,-0.4 5,-0.1 -0.337 10.3-144.6 -77.6 164.5 2.2 -3.4 -24.2 78 80 A R S S+ 0 0 32 3,-0.1 -1,-0.1 -2,-0.1 230,-0.1 0.887 91.1 42.9 -96.6 -52.9 5.9 -2.7 -23.9 79 81 A D S S+ 0 0 92 1,-0.1 2,-0.3 228,-0.1 -1,-0.1 0.643 125.6 27.5 -72.5 -15.0 7.7 -5.4 -26.0 80 82 A A S S- 0 0 37 2,-0.2 2,-1.8 0, 0.0 -3,-0.2 -0.987 85.0-115.7-143.7 146.7 5.2 -5.2 -28.8 81 83 A N S S+ 0 0 37 -2,-0.3 16,-0.6 -5,-0.1 2,-0.3 -0.599 72.7 120.8 -86.2 80.3 3.1 -2.3 -30.0 82 84 A Q E - 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