==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-MAY-09 3HLI . COMPND 2 MOLECULE: DIISOPROPYL-FLUOROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LOLIGO VULGARIS; . AUTHOR J.C.-H.CHEN,M.-M.BLUM . 1249 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48840.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 807 64.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 525 42.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 36 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 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 . 123 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 . 4 4 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 . 16 8 15 9 28 16 4 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 . 8 0 16 8 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 0 151 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 156.9 2.4 -22.4 9.8 2 3 A I - 0 0 56 1,-0.1 258,-0.2 258,-0.1 257,-0.1 -0.567 360.0-109.2 -71.5 126.7 4.7 -19.4 10.0 3 4 A P - 0 0 72 0, 0.0 258,-2.1 0, 0.0 2,-0.4 -0.276 34.3-156.8 -59.0 140.9 3.8 -17.4 13.2 4 5 A V E -a 261 0A 71 256,-0.2 2,-0.3 258,-0.1 258,-0.2 -0.981 5.6-162.0-125.5 129.4 2.2 -14.1 12.5 5 6 A I E -a 262 0A 44 256,-2.5 258,-2.6 -2,-0.4 255,-0.0 -0.828 7.1-156.3-108.3 149.8 2.1 -11.1 14.8 6 7 A E - 0 0 143 -2,-0.3 258,-0.1 256,-0.2 256,-0.1 -0.684 18.7-175.0-124.5 75.7 -0.3 -8.2 14.5 7 8 A P - 0 0 31 0, 0.0 2,-0.6 0, 0.0 289,-0.1 -0.252 36.0 -97.9 -68.0 160.2 1.3 -5.1 16.2 8 9 A L - 0 0 158 287,-0.1 287,-0.4 256,-0.0 2,-0.3 -0.711 40.5-151.7 -82.3 121.7 -0.7 -1.9 16.5 9 10 A F - 0 0 31 -2,-0.6 2,-0.4 285,-0.1 285,-0.2 -0.705 3.9-154.4 -94.4 147.1 0.2 0.5 13.8 10 11 A T E -E 293 0B 78 283,-2.6 283,-1.5 -2,-0.3 2,-0.2 -0.984 20.6-120.0-123.8 129.7 0.0 4.3 14.1 11 12 A K E +E 292 0B 83 -2,-0.4 281,-0.3 281,-0.2 3,-0.1 -0.465 30.3 176.9 -67.1 133.8 -0.4 6.6 11.2 12 13 A V E - 0 0 21 279,-3.2 2,-0.3 1,-0.4 280,-0.2 0.811 58.8 -26.2-105.3 -47.9 2.5 9.1 10.8 13 14 A T E -E 291 0B 11 278,-1.5 278,-2.5 37,-0.0 -1,-0.4 -0.978 56.8-156.8-161.9 165.0 1.7 11.1 7.7 14 15 A E + 0 0 99 41,-0.3 276,-0.2 -2,-0.3 275,-0.1 -0.817 57.7 62.0-141.7-178.7 -0.2 10.8 4.4 15 16 A D + 0 0 118 273,-0.6 275,-0.2 274,-0.4 -1,-0.2 0.934 60.0 141.6 63.3 49.7 -0.4 12.1 0.9 16 17 A I > - 0 0 0 273,-2.5 3,-2.5 272,-0.2 2,-0.2 -0.857 49.9-135.7-121.9 91.6 3.0 11.0 -0.2 17 18 A P T 3 S- 0 0 48 0, 0.0 19,-1.8 0, 0.0 20,-0.5 -0.271 88.4 -4.3 -52.3 111.4 2.8 9.7 -3.8 18 19 A G T 3 S- 0 0 8 -2,-0.2 268,-0.1 17,-0.2 15,-0.1 0.725 91.8-147.0 75.9 22.5 4.8 6.5 -3.9 19 20 A A < + 0 0 0 -3,-2.5 2,-0.2 266,-0.3 15,-0.2 0.167 40.0 136.0 -25.3 118.8 5.9 6.8 -0.3 20 21 A E E +H 33 0C 6 13,-2.1 13,-2.7 -3,-0.1 54,-0.2 -0.855 28.5 52.2-155.7-174.8 9.4 5.3 -0.1 21 22 A G E - 0 0 2 52,-0.8 53,-0.1 -2,-0.2 -1,-0.1 0.777 57.8-168.3 43.2 50.1 13.0 5.7 1.2 22 23 A P E + 0 0 3 0, 0.0 2,-0.3 0, 0.0 10,-0.2 -0.433 19.3 159.7 -66.6 137.8 12.3 6.3 4.9 23 24 A V E -H 31 0C 1 8,-2.2 8,-2.9 -2,-0.1 2,-0.4 -0.990 35.0-142.0-159.7 150.7 15.5 7.4 6.6 24 25 A F E -H 30 0C 3 -2,-0.3 6,-0.2 6,-0.2 53,-0.2 -0.930 22.0-144.8-113.3 139.5 16.8 9.2 9.7 25 26 A D > - 0 0 6 4,-2.3 3,-1.7 -2,-0.4 57,-0.1 -0.294 39.0 -83.3 -94.0-174.5 19.8 11.5 9.6 26 27 A K T 3 S+ 0 0 76 1,-0.3 -1,-0.0 52,-0.1 56,-0.0 0.681 128.6 51.2 -63.1 -18.3 22.5 12.1 12.1 27 28 A N T 3 S- 0 0 38 2,-0.1 -1,-0.3 914,-0.1 3,-0.1 0.374 120.1-104.9 -99.6 3.3 20.3 14.6 14.0 28 29 A G S < S+ 0 0 35 -3,-1.7 2,-0.2 1,-0.3 -2,-0.1 0.536 70.9 146.9 87.5 4.5 17.4 12.3 14.3 29 30 A D - 0 0 30 1,-0.0 -4,-2.3 22,-0.0 2,-0.4 -0.513 42.2-131.7 -75.4 147.5 15.4 14.1 11.6 30 31 A F E +HI 24 50C 2 20,-0.6 20,-2.8 -6,-0.2 2,-0.3 -0.841 25.3 179.9-106.4 135.4 13.1 11.9 9.5 31 32 A Y E +HI 23 49C 3 -8,-2.9 -8,-2.2 -2,-0.4 2,-0.3 -0.934 7.0 178.5-132.4 155.4 12.9 11.9 5.7 32 33 A I E - I 0 48C 0 16,-2.3 16,-3.2 -2,-0.3 2,-0.3 -0.941 21.7-127.1-146.3 162.1 10.9 10.1 3.0 33 34 A V E -HI 20 47C 0 -13,-2.7 -13,-2.1 -2,-0.3 14,-0.2 -0.866 1.8-152.7-117.4 154.3 10.8 10.3 -0.8 34 35 A A E > + I 0 46C 1 12,-3.0 12,-1.5 -2,-0.3 3,-1.1 -0.749 22.4 167.4-123.4 78.6 7.8 10.7 -3.1 35 36 A P T 3 + 0 0 21 0, 0.0 10,-0.2 0, 0.0 9,-0.2 0.720 69.5 63.5 -65.8 -22.6 8.9 9.1 -6.4 36 37 A D T 3 S+ 0 0 96 -19,-1.8 2,-0.3 8,-0.1 -18,-0.2 0.429 70.4 120.0 -86.9 2.4 5.4 9.0 -7.9 37 38 A V < + 0 0 24 -3,-1.1 7,-2.7 -20,-0.5 2,-0.3 -0.513 39.8 178.4 -71.1 128.2 4.9 12.8 -8.1 38 39 A E E -K 43 0D 111 -2,-0.3 2,-0.5 5,-0.2 -2,-0.0 -0.935 24.5-151.1-130.0 152.9 4.4 14.1 -11.6 39 40 A V E > S-K 42 0D 90 3,-2.7 3,-1.0 -2,-0.3 -2,-0.0 -0.957 86.6 -20.6-126.3 108.1 3.7 17.5 -13.2 40 41 A N T 3 S- 0 0 153 -2,-0.5 -1,-0.1 1,-0.3 0, 0.0 0.903 129.4 -49.8 59.8 43.5 1.7 17.3 -16.4 41 42 A G T 3 S+ 0 0 57 1,-0.2 -1,-0.3 3,-0.0 3,-0.0 0.516 116.4 112.8 76.2 5.9 2.7 13.6 -16.8 42 43 A K E < S-K 39 0D 131 -3,-1.0 -3,-2.7 1,-0.0 -1,-0.2 -0.890 77.5 -93.9-113.6 142.0 6.4 14.2 -16.3 43 44 A P E +K 38 0D 46 0, 0.0 26,-0.3 0, 0.0 -5,-0.2 -0.220 48.0 159.1 -52.9 134.8 8.5 13.0 -13.4 44 45 A A + 0 0 15 -7,-2.7 27,-0.2 -9,-0.2 -6,-0.1 -0.180 18.6 178.7-152.1 44.4 8.8 15.5 -10.5 45 46 A G - 0 0 0 25,-2.3 2,-0.3 -10,-0.2 25,-0.3 -0.080 11.8-148.2 -54.5 150.5 9.8 13.4 -7.5 46 47 A E E -I 34 0C 36 -12,-1.5 -12,-3.0 26,-0.2 2,-0.5 -0.874 14.6-145.8-126.7 156.1 10.4 14.9 -4.1 47 48 A I E -IJ 33 61C 0 14,-2.6 13,-2.3 -2,-0.3 14,-1.6 -0.983 31.9-171.1-116.1 123.6 12.5 14.4 -1.0 48 49 A L E -IJ 32 59C 7 -16,-3.2 -16,-2.3 -2,-0.5 2,-0.4 -0.882 24.2-141.6-124.5 153.6 10.7 15.4 2.1 49 50 A R E -IJ 31 58C 49 9,-2.6 9,-2.2 -2,-0.3 2,-0.4 -0.913 25.0-150.0-106.6 135.0 11.4 15.9 5.8 50 51 A I E -IJ 30 57C 5 -20,-2.8 2,-0.7 -2,-0.4 -20,-0.6 -0.915 11.6-133.3-113.4 133.3 8.6 14.8 8.1 51 52 A D > - 0 0 31 5,-2.5 4,-2.8 -2,-0.4 5,-0.2 -0.741 15.5-152.5 -82.1 115.4 7.7 16.2 11.5 52 53 A L T 4 S+ 0 0 59 -2,-0.7 -1,-0.2 1,-0.2 -23,-0.0 0.741 90.7 46.6 -61.4 -25.4 7.3 13.2 13.7 53 54 A K T 4 S+ 0 0 75 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.922 128.3 18.9 -84.1 -48.3 4.9 15.0 16.0 54 55 A T T 4 S- 0 0 74 2,-0.1 -2,-0.2 1067,-0.0 3,-0.1 0.671 91.1-129.5 -97.0 -21.8 2.5 16.7 13.6 55 56 A G < + 0 0 10 -4,-2.8 -41,-0.3 1,-0.3 -3,-0.1 0.534 52.7 157.1 82.1 5.1 3.2 14.7 10.5 56 57 A K - 0 0 112 -5,-0.2 -5,-2.5 -43,-0.1 2,-0.4 -0.381 32.9-139.1 -66.2 142.2 3.7 17.9 8.5 57 58 A K E -J 50 0C 76 -7,-0.2 2,-0.4 -3,-0.1 -7,-0.2 -0.838 15.1-168.0-109.7 141.1 5.7 17.6 5.4 58 59 A T E -J 49 0C 62 -9,-2.2 -9,-2.6 -2,-0.4 2,-0.7 -0.992 20.7-134.8-127.8 123.0 8.4 19.9 4.1 59 60 A V E +J 48 0C 67 -2,-0.4 -11,-0.2 -11,-0.2 3,-0.1 -0.672 29.6 169.5 -77.4 116.0 9.8 19.6 0.6 60 61 A I E + 0 0 27 -13,-2.3 2,-0.3 -2,-0.7 -1,-0.2 0.729 64.4 16.5 -99.1 -25.4 13.6 19.9 0.9 61 62 A C E -J 47 0C 6 -14,-1.6 -14,-2.6 2,-0.0 -1,-0.3 -0.973 42.5-177.8-154.3 134.7 14.5 18.8 -2.6 62 63 A K - 0 0 98 -2,-0.3 -16,-0.2 -16,-0.2 -17,-0.1 -0.748 35.3-150.4-126.9 77.5 12.8 18.4 -6.0 63 64 A P + 0 0 2 0, 0.0 7,-2.8 0, 0.0 2,-0.3 -0.187 26.0 161.2 -57.6 137.2 15.8 17.1 -8.1 64 65 A E E -L 69 0E 125 5,-0.3 2,-0.4 -20,-0.1 5,-0.2 -0.970 20.7-158.7-155.1 142.2 16.1 17.8 -11.8 65 66 A V E > S-L 68 0E 27 3,-2.5 3,-1.8 -2,-0.3 0, 0.0 -0.982 75.4 -20.7-131.3 120.2 19.0 17.6 -14.2 66 67 A N T 3 S- 0 0 139 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.831 130.3 -45.6 52.9 38.8 19.0 19.5 -17.5 67 68 A G T 3 S+ 0 0 55 1,-0.2 2,-0.6 0, 0.0 -1,-0.3 0.421 113.6 117.7 89.0 -2.5 15.2 19.8 -17.5 68 69 A Y E < -L 65 0E 101 -3,-1.8 -3,-2.5 71,-0.0 -1,-0.2 -0.888 60.0-134.1-103.5 122.3 14.6 16.1 -16.5 69 70 A G E -L 64 0E 18 -2,-0.6 -5,-0.3 -26,-0.3 -25,-0.2 -0.402 20.4-126.8 -73.5 147.3 12.8 15.5 -13.3 70 71 A G - 0 0 0 -7,-2.8 -25,-2.3 -25,-0.3 -1,-0.1 -0.414 4.7-146.1 -91.5 168.4 14.1 12.9 -10.9 71 72 A I - 0 0 36 -27,-0.2 18,-2.7 -2,-0.1 2,-0.2 -0.676 18.9-162.6-131.2 74.2 12.4 10.0 -9.2 72 73 A P E +M 88 0F 0 0, 0.0 16,-0.3 0, 0.0 -26,-0.2 -0.441 22.1 159.6 -61.6 127.9 14.0 9.7 -5.8 73 74 A A E + 0 0 5 14,-3.2 -52,-0.8 1,-0.3 2,-0.3 0.618 51.0 24.0-127.3 -21.3 13.2 6.2 -4.4 74 75 A G E -M 87 0F 0 13,-1.5 13,-2.4 -54,-0.2 -1,-0.3 -0.996 58.8-162.2-150.2 153.0 15.6 5.1 -1.7 75 76 A C E +M 86 0F 3 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.959 14.1 179.6-141.7 157.3 17.9 6.7 0.9 76 77 A Q E -M 85 0F 9 9,-1.8 9,-3.2 -2,-0.3 2,-0.4 -0.976 29.3-126.5-146.8 142.4 20.9 6.1 3.2 77 78 A C E -M 84 0F 2 -2,-0.3 228,-0.4 7,-0.2 7,-0.2 -0.771 24.1-123.7 -95.7 140.9 22.5 8.7 5.5 78 79 A D - 0 0 22 5,-2.7 -52,-0.1 -2,-0.4 -1,-0.1 -0.290 11.5-142.8 -74.0 164.0 26.2 9.3 5.3 79 80 A R S S+ 0 0 38 3,-0.1 -1,-0.1 1,-0.1 230,-0.1 0.897 91.5 38.9 -95.4 -52.7 28.4 8.9 8.5 80 81 A D S S+ 0 0 80 1,-0.1 2,-0.3 229,-0.0 -1,-0.1 0.559 124.8 32.9 -79.6 -7.8 31.0 11.6 8.4 81 82 A A S S- 0 0 36 2,-0.2 2,-2.0 0, 0.0 -3,-0.2 -0.988 84.9-117.7-144.5 143.5 28.7 14.3 7.0 82 83 A N S S+ 0 0 36 -2,-0.3 16,-0.5 -5,-0.1 2,-0.3 -0.562 72.3 121.0 -84.2 77.2 25.0 14.8 7.5 83 84 A Q E - 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