==== 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 3HLH . COMPND 2 MOLECULE: DIISOPROPYL-FLUOROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LOLIGO VULGARIS; . AUTHOR J.C.-H.CHEN,M.-M.BLUM . 1248 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48273.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 819 65.6 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 . 530 42.5 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 . 126 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 1.0 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 11 12 29 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 3 A I 0 0 114 0, 0.0 258,-0.1 0, 0.0 257,-0.1 0.000 360.0 360.0 360.0 119.8 4.3 -19.6 9.6 2 4 A P - 0 0 78 0, 0.0 258,-2.3 0, 0.0 2,-0.4 -0.192 360.0-161.4 -54.2 138.1 3.6 -17.5 12.8 3 5 A V E -a 260 0A 69 256,-0.2 2,-0.3 258,-0.1 258,-0.2 -0.986 5.1-162.8-126.5 130.9 2.0 -14.1 12.2 4 6 A I E -a 261 0A 44 256,-2.4 258,-2.4 -2,-0.4 255,-0.0 -0.831 7.3-155.7-110.1 152.0 2.0 -11.2 14.6 5 7 A E - 0 0 139 -2,-0.3 258,-0.1 256,-0.2 256,-0.1 -0.654 18.4-175.0-127.8 74.5 -0.4 -8.2 14.3 6 8 A P - 0 0 29 0, 0.0 2,-0.5 0, 0.0 289,-0.1 -0.242 37.0 -95.4 -66.5 158.2 1.2 -5.3 16.1 7 9 A L - 0 0 156 287,-0.1 287,-0.4 256,-0.0 2,-0.3 -0.652 40.9-150.4 -78.5 122.5 -0.7 -2.0 16.5 8 10 A F - 0 0 31 -2,-0.5 2,-0.5 285,-0.1 285,-0.2 -0.751 4.3-155.0 -95.8 142.2 0.2 0.4 13.7 9 11 A T E -E 292 0B 76 283,-2.9 283,-1.5 -2,-0.3 2,-0.2 -0.973 19.8-123.0-118.8 126.8 0.1 4.2 14.2 10 12 A K E +E 291 0B 87 -2,-0.5 281,-0.3 281,-0.2 3,-0.1 -0.491 30.3 177.2 -67.3 130.7 -0.4 6.5 11.2 11 13 A V E - 0 0 20 279,-3.3 2,-0.3 1,-0.4 280,-0.2 0.846 57.5 -24.7-102.2 -51.7 2.5 9.0 11.0 12 14 A T E -E 290 0B 10 278,-1.5 278,-2.6 37,-0.0 -1,-0.4 -0.970 58.8-160.3-157.6 166.2 1.9 11.1 7.9 13 15 A E + 0 0 91 -2,-0.3 276,-0.2 41,-0.3 275,-0.1 -0.836 55.4 62.8-144.8-178.3 0.1 10.9 4.6 14 16 A D + 0 0 121 273,-0.7 275,-0.2 274,-0.3 -1,-0.1 0.906 60.2 140.2 63.3 45.4 -0.2 12.2 1.1 15 17 A I > - 0 0 0 273,-2.7 3,-2.6 272,-0.2 -1,-0.2 -0.885 52.6-132.3-119.4 95.3 3.2 11.2 -0.0 16 18 A P T 3 S- 0 0 50 0, 0.0 19,-1.5 0, 0.0 20,-0.5 -0.261 89.0 -5.4 -51.1 114.0 3.0 9.9 -3.6 17 19 A G T 3 S- 0 0 7 17,-0.2 268,-0.1 18,-0.2 15,-0.1 0.720 91.9-147.4 71.5 22.1 4.9 6.6 -3.7 18 20 A A < + 0 0 0 -3,-2.6 2,-0.3 266,-0.2 15,-0.2 0.187 38.8 137.5 -24.5 120.4 6.1 7.0 -0.1 19 21 A E E +H 32 0C 5 13,-2.3 13,-3.0 -3,-0.1 54,-0.2 -0.870 27.4 53.6-156.3-174.7 9.6 5.4 0.1 20 22 A G E - 0 0 2 52,-0.8 53,-0.1 -2,-0.3 -1,-0.1 0.797 58.1-167.3 45.4 49.0 13.1 5.6 1.4 21 23 A P E + 0 0 3 0, 0.0 2,-0.3 0, 0.0 10,-0.2 -0.421 20.6 157.6 -65.4 136.8 12.4 6.2 5.2 22 24 A V E -H 30 0C 0 8,-2.3 8,-2.8 -2,-0.1 2,-0.4 -0.994 36.5-141.3-159.9 154.9 15.6 7.2 6.9 23 25 A F E -H 29 0C 4 -2,-0.3 6,-0.2 6,-0.2 53,-0.2 -0.932 21.6-145.0-116.3 141.1 17.0 9.0 10.0 24 26 A D > - 0 0 7 4,-2.0 3,-2.2 -2,-0.4 57,-0.1 -0.431 39.5 -85.0 -97.6 179.9 20.1 11.3 9.8 25 27 A K T 3 S+ 0 0 76 52,-0.3 56,-0.1 1,-0.3 -1,-0.0 0.755 128.8 53.1 -54.6 -28.3 22.8 11.7 12.4 26 28 A N T 3 S- 0 0 25 2,-0.1 -1,-0.3 914,-0.1 3,-0.1 0.442 118.6-108.3 -89.4 -0.2 20.7 14.4 14.1 27 29 A G < + 0 0 39 -3,-2.2 2,-0.2 1,-0.3 -2,-0.1 0.511 69.2 145.6 88.3 2.7 17.7 12.1 14.4 28 30 A D - 0 0 30 1,-0.0 -4,-2.0 22,-0.0 2,-0.4 -0.510 43.2-131.8 -74.3 147.1 15.6 14.0 11.8 29 31 A F E +HI 23 49C 2 20,-0.7 20,-3.2 -6,-0.2 2,-0.3 -0.841 26.1 178.6-106.0 136.7 13.4 11.8 9.8 30 32 A Y E +HI 22 48C 3 -8,-2.8 -8,-2.3 -2,-0.4 2,-0.3 -0.940 8.8 179.6-134.5 155.7 13.0 11.8 6.0 31 33 A I E - I 0 47C 0 16,-2.0 16,-3.1 -2,-0.3 2,-0.3 -0.948 22.5-127.2-146.1 159.8 11.1 10.0 3.3 32 34 A V E -HI 19 46C 0 -13,-3.0 -13,-2.3 -2,-0.3 14,-0.2 -0.808 2.2-151.5-113.4 156.8 11.0 10.3 -0.5 33 35 A A E > + I 0 45C 0 12,-3.1 12,-1.4 -2,-0.3 3,-1.2 -0.727 22.5 167.6-125.5 78.4 8.1 10.7 -2.8 34 36 A P T 3 S+ 0 0 20 0, 0.0 10,-0.3 0, 0.0 9,-0.3 0.755 70.8 61.9 -63.5 -26.1 9.1 9.2 -6.2 35 37 A A T 3 S+ 0 0 53 -19,-1.5 2,-0.2 7,-0.1 -18,-0.2 0.399 70.8 120.7 -84.6 2.0 5.6 9.2 -7.7 36 38 A V < - 0 0 20 -3,-1.2 7,-2.5 -20,-0.5 2,-0.3 -0.504 42.1-175.6 -68.8 131.7 5.2 13.0 -7.6 37 39 A E E -K 42 0D 126 5,-0.2 2,-0.5 -2,-0.2 -2,-0.1 -0.962 20.3-156.5-130.6 148.4 4.5 14.3 -11.1 38 40 A V E > S-K 41 0D 67 3,-2.7 3,-1.5 -2,-0.3 -2,-0.0 -0.979 86.4 -12.7-125.1 116.6 4.1 17.8 -12.6 39 41 A N T 3 S- 0 0 156 -2,-0.5 -1,-0.1 1,-0.3 0, 0.0 0.875 130.2 -56.6 61.4 36.2 2.2 18.0 -15.9 40 42 A G T 3 S+ 0 0 57 1,-0.2 -1,-0.3 -3,-0.0 3,-0.0 0.495 116.3 113.2 75.3 4.1 2.6 14.2 -16.1 41 43 A K E < S-K 38 0D 135 -3,-1.5 -3,-2.7 1,-0.1 -1,-0.2 -0.827 79.3 -87.0-110.4 148.2 6.4 14.3 -15.9 42 44 A P E +K 37 0D 48 0, 0.0 26,-0.4 0, 0.0 -5,-0.2 -0.217 50.6 158.5 -52.3 134.4 8.6 13.0 -13.0 43 45 A A - 0 0 10 -7,-2.5 27,-0.2 -9,-0.3 -6,-0.1 -0.211 19.8-177.4-153.9 47.6 9.0 15.5 -10.3 44 46 A G - 0 0 0 25,-2.8 2,-0.3 -10,-0.3 25,-0.3 -0.081 9.3-148.4 -54.8 149.9 10.0 13.4 -7.2 45 47 A E E -I 33 0C 38 -12,-1.4 -12,-3.1 26,-0.2 2,-0.5 -0.875 13.6-146.2-125.4 153.6 10.6 15.0 -3.8 46 48 A I E -IJ 32 60C 0 14,-2.6 13,-2.5 -2,-0.3 14,-1.5 -0.982 31.9-167.6-114.9 122.9 12.8 14.4 -0.8 47 49 A L E -IJ 31 58C 9 -16,-3.1 -16,-2.0 -2,-0.5 2,-0.5 -0.874 22.9-143.4-121.3 150.6 10.9 15.3 2.4 48 50 A R E -IJ 30 57C 38 9,-2.7 9,-2.3 -2,-0.3 2,-0.4 -0.908 26.0-149.8-105.4 133.8 11.7 15.9 6.1 49 51 A I E -IJ 29 56C 8 -20,-3.2 2,-0.9 -2,-0.5 -20,-0.7 -0.889 12.2-136.2-111.8 137.5 8.9 14.7 8.4 50 52 A D > - 0 0 25 5,-2.3 4,-3.6 -2,-0.4 5,-0.3 -0.803 16.1-156.2 -87.9 107.5 8.0 16.1 11.8 51 53 A L T 4 S+ 0 0 54 -2,-0.9 -1,-0.2 1,-0.2 -23,-0.0 0.772 88.4 53.1 -56.5 -29.0 7.5 12.9 13.8 52 54 A K T 4 S+ 0 0 78 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.0 0.918 128.6 11.5 -74.7 -44.0 5.2 14.8 16.3 53 55 A T T 4 S- 0 0 64 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.603 92.5-119.4-111.5 -16.4 2.7 16.3 13.8 54 56 A G < + 0 0 9 -4,-3.6 -41,-0.3 1,-0.3 -3,-0.1 0.507 54.0 163.2 86.9 3.8 3.4 14.6 10.5 55 57 A K - 0 0 75 -5,-0.3 -5,-2.3 -6,-0.1 2,-0.4 -0.343 27.3-145.0 -59.5 133.3 4.2 18.0 9.0 56 58 A K E -J 49 0C 76 -7,-0.2 2,-0.4 -3,-0.1 -7,-0.2 -0.860 14.9-170.9-107.7 135.8 6.1 17.6 5.7 57 59 A T E -J 48 0C 44 -9,-2.3 -9,-2.7 -2,-0.4 2,-0.5 -0.990 22.5-131.5-126.3 124.7 8.8 19.9 4.5 58 60 A V E +J 47 0C 78 -2,-0.4 -11,-0.2 -11,-0.2 3,-0.1 -0.634 29.5 170.7 -75.4 119.6 10.3 19.7 1.0 59 61 A I E + 0 0 18 -13,-2.5 2,-0.3 -2,-0.5 -1,-0.2 0.691 66.9 7.5-100.8 -23.7 14.1 19.7 1.3 60 62 A C E -J 46 0C 11 -14,-1.5 -14,-2.6 2,-0.1 -1,-0.3 -0.941 41.5-175.5-162.5 136.3 14.8 18.8 -2.3 61 63 A K - 0 0 82 -2,-0.3 -16,-0.2 -16,-0.2 -17,-0.1 -0.707 36.5-152.4-129.8 74.5 13.0 18.4 -5.7 62 64 A P + 0 0 2 0, 0.0 7,-2.9 0, 0.0 2,-0.3 -0.172 24.3 163.3 -56.9 136.0 16.0 17.2 -7.8 63 65 A E E -L 68 0E 124 5,-0.3 2,-0.5 -20,-0.1 5,-0.2 -0.978 20.6-156.9-153.1 140.8 16.2 17.8 -11.6 64 66 A V E > S-L 67 0E 28 3,-2.5 3,-1.6 -2,-0.3 0, 0.0 -0.974 75.3 -23.4-127.4 117.5 19.1 17.7 -14.0 65 67 A N T 3 S- 0 0 143 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.856 130.4 -42.1 52.2 43.5 18.9 19.6 -17.3 66 68 A G T 3 S+ 0 0 50 1,-0.2 2,-0.6 0, 0.0 -1,-0.3 0.397 114.1 115.3 89.4 -4.5 15.1 19.7 -17.4 67 69 A Y E < -L 64 0E 103 -3,-1.6 -3,-2.5 71,-0.0 -1,-0.2 -0.896 58.9-139.8-105.3 118.1 14.6 16.1 -16.2 68 70 A G E -L 63 0E 18 -2,-0.6 -5,-0.3 -26,-0.4 -25,-0.2 -0.397 21.1-121.2 -72.8 150.5 12.9 15.6 -12.9 69 71 A G - 0 0 0 -7,-2.9 -25,-2.8 -25,-0.3 -1,-0.1 -0.390 6.9-147.5 -91.1 169.0 14.1 13.0 -10.5 70 72 A I - 0 0 35 -27,-0.2 18,-2.6 -2,-0.1 2,-0.2 -0.646 20.6-166.2-131.7 70.1 12.5 10.0 -9.0 71 73 A P E +M 87 0F 0 0, 0.0 16,-0.3 0, 0.0 -26,-0.2 -0.450 20.0 159.7 -62.4 127.2 14.2 9.6 -5.6 72 74 A A E + 0 0 5 14,-3.2 -52,-0.8 1,-0.3 2,-0.3 0.629 50.6 30.2-125.8 -23.7 13.3 6.2 -4.2 73 75 A G E -M 86 0F 0 13,-1.6 13,-2.6 -54,-0.2 2,-0.3 -0.990 58.8-163.0-143.1 152.9 15.8 5.1 -1.5 74 76 A C E -M 85 0F 3 -2,-0.3 2,-0.3 11,-0.2 46,-0.2 -0.948 10.5-173.6-138.8 157.3 18.0 6.6 1.1 75 77 A Q E -M 84 0F 11 9,-1.7 9,-2.8 -2,-0.3 2,-0.3 -0.987 28.1-122.1-146.8 139.9 21.0 6.0 3.4 76 78 A a E -M 83 0F 3 -2,-0.3 2,-0.4 7,-0.2 228,-0.3 -0.641 22.0-131.0 -84.8 136.9 22.4 8.3 6.1 77 79 A D - 0 0 16 5,-1.5 -52,-0.3 -2,-0.3 5,-0.2 -0.732 8.3-153.5 -88.3 136.6 26.1 9.3 5.9 78 80 A R S S+ 0 0 34 -2,-0.4 -1,-0.1 1,-0.2 230,-0.1 0.839 89.7 41.4 -78.2 -34.6 28.0 8.8 9.1 79 81 A D S S+ 0 0 75 229,-0.0 2,-0.3 3,-0.0 -1,-0.2 0.433 118.5 28.6 -97.7 1.0 30.6 11.6 8.5 80 82 A A S S- 0 0 36 2,-0.2 2,-1.6 -3,-0.1 -3,-0.3 -0.979 81.4-103.8-154.0 162.6 28.5 14.4 7.1 81 83 A N S S+ 0 0 58 -2,-0.3 16,-1.3 -57,-0.1 2,-0.3 -0.513 82.1 105.3 -91.3 69.3 25.0 15.8 7.2 82 84 A Q E - 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