==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOSPHOTRIESTERASE 28-APR-00 1E1A . COMPND 2 MOLECULE: DIISOPROPYLFLUOROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LOLIGO VULGARIS; . AUTHOR J.KOEPKE,E.I.SCHARFF,G.FRITZSCH,C.LUECKE,H.RUETERJANS . 312 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13347.0 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 . 31 9.9 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 0 106 0, 0.0 258,-0.1 0, 0.0 257,-0.1 0.000 360.0 360.0 360.0 120.3 11.1 -21.2 1.0 2 4 A P - 0 0 80 0, 0.0 258,-2.1 0, 0.0 2,-0.4 -0.337 360.0-156.7 -62.3 139.3 12.6 -23.6 3.6 3 5 A V E -a 260 0A 67 256,-0.2 2,-0.3 258,-0.1 258,-0.2 -0.982 4.7-162.4-122.6 128.8 11.1 -23.4 7.0 4 6 A I E -a 261 0A 48 256,-2.4 258,-2.5 -2,-0.4 255,-0.0 -0.755 7.5-154.2-105.1 157.6 12.9 -24.4 10.3 5 7 A E - 0 0 158 -2,-0.3 3,-0.1 256,-0.2 258,-0.1 -0.604 19.4-179.0-132.1 73.1 11.1 -25.1 13.6 6 8 A P - 0 0 32 0, 0.0 2,-0.4 0, 0.0 289,-0.0 -0.232 39.7 -89.8 -70.2 161.0 13.6 -24.5 16.5 7 9 A L - 0 0 140 287,-0.1 2,-0.6 256,-0.1 287,-0.4 -0.604 36.8-150.8 -74.3 126.3 12.5 -25.0 20.1 8 10 A F - 0 0 17 -2,-0.4 2,-0.4 285,-0.1 285,-0.2 -0.900 9.6-159.3-100.6 121.5 11.1 -21.9 21.7 9 11 A T E -E 292 0B 64 283,-2.9 283,-1.3 -2,-0.6 2,-0.1 -0.882 23.1-113.2-103.5 132.5 11.7 -21.7 25.4 10 12 A K E +E 291 0B 74 -2,-0.4 281,-0.2 281,-0.2 3,-0.1 -0.396 35.4 172.9 -65.1 134.9 9.4 -19.5 27.6 11 13 A V E - 0 0 20 279,-3.0 2,-0.3 1,-0.4 280,-0.2 0.780 60.4 -22.3-107.4 -56.4 11.2 -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 -0.980 59.7-144.7-155.0 161.2 8.4 -14.4 30.8 13 15 A E + 0 0 102 41,-0.3 276,-0.2 -2,-0.3 275,-0.1 -0.769 59.8 37.4-130.0 174.1 4.7 -13.8 30.6 14 16 A D + 0 0 122 273,-0.5 275,-0.2 274,-0.3 -1,-0.2 0.916 60.4 145.4 52.1 58.2 1.9 -11.3 30.8 15 17 A I > - 0 0 2 273,-2.5 3,-2.6 272,-0.2 -1,-0.2 -0.912 50.2-128.2-124.0 96.5 3.5 -8.2 29.3 16 18 A P T 3 S- 0 0 52 0, 0.0 19,-1.3 0, 0.0 20,-0.3 -0.266 90.9 -6.1 -48.9 110.9 0.8 -6.2 27.4 17 19 A G T 3 S- 0 0 0 17,-0.2 268,-0.1 18,-0.2 15,-0.1 0.750 91.7-146.7 71.3 25.6 2.2 -5.6 23.9 18 20 A A < + 0 0 0 -3,-2.6 2,-0.2 266,-0.2 15,-0.2 0.137 37.6 148.3 -27.7 116.8 5.6 -7.1 24.8 19 21 A E E +H 32 0C 7 13,-2.8 13,-2.7 -3,-0.1 54,-0.2 -0.827 27.3 42.9-147.3-177.5 8.1 -5.2 22.8 20 22 A G E - 0 0 1 52,-0.9 -1,-0.1 -2,-0.2 53,-0.1 0.764 58.5-164.7 40.8 51.5 11.6 -3.8 22.5 21 23 A P E + 0 0 3 0, 0.0 2,-0.3 0, 0.0 10,-0.2 -0.389 21.8 161.0 -63.2 135.8 13.7 -6.7 23.8 22 24 A V E -H 30 0C 0 8,-1.9 8,-2.9 250,-0.1 2,-0.4 -0.994 35.6-142.4-158.2 151.1 17.2 -5.4 24.6 23 25 A F E -H 29 0C 1 -2,-0.3 53,-0.2 6,-0.2 6,-0.2 -0.956 22.7-144.4-114.4 135.1 20.4 -6.2 26.5 24 26 A D > - 0 0 4 4,-2.2 3,-1.6 -2,-0.4 57,-0.1 -0.235 39.1 -83.4 -87.9-174.2 22.4 -3.4 28.2 25 27 A K T 3 S+ 0 0 93 1,-0.3 -1,-0.1 52,-0.2 56,-0.0 0.659 129.1 51.7 -64.0 -18.2 26.2 -3.1 28.6 26 28 A N T 3 S- 0 0 123 2,-0.1 -1,-0.3 55,-0.0 3,-0.1 0.406 120.2-105.3 -97.7 -1.1 26.1 -5.3 31.8 27 29 A G S < S+ 0 0 40 -3,-1.6 2,-0.1 1,-0.3 -2,-0.1 0.519 70.4 147.9 90.0 3.5 24.1 -8.1 30.1 28 30 A D - 0 0 70 1,-0.1 -4,-2.2 22,-0.0 2,-0.4 -0.485 42.3-131.0 -72.6 145.6 20.8 -7.2 31.9 29 31 A F E -HI 23 49C 2 20,-0.7 20,-2.9 -6,-0.2 2,-0.3 -0.856 24.0-174.1-105.2 135.2 17.7 -7.9 29.8 30 32 A Y E -HI 22 48C 0 -8,-2.9 -8,-1.9 -2,-0.4 2,-0.3 -0.925 8.2-175.1-128.6 152.0 14.8 -5.4 29.3 31 33 A I E - I 0 47C 0 16,-2.2 16,-3.4 -2,-0.3 2,-0.4 -0.968 16.9-138.9-140.3 146.6 11.4 -5.5 27.8 32 34 A V E -HI 19 46C 0 -13,-2.7 -13,-2.8 -2,-0.3 14,-0.2 -0.891 2.2-157.5-111.4 144.8 8.8 -2.7 27.2 33 35 A A E > + I 0 45C 0 12,-3.3 12,-1.9 -2,-0.4 3,-1.1 -0.773 19.3 169.9-118.5 80.8 5.1 -3.1 27.7 34 36 A P T 3 S+ 0 0 5 0, 0.0 10,-0.3 0, 0.0 9,-0.3 0.835 70.6 57.4 -61.3 -34.7 3.6 -0.3 25.6 35 37 A E T 3 + 0 0 114 -19,-1.3 2,-0.3 35,-0.1 -18,-0.2 0.204 68.6 125.0 -89.7 16.2 -0.0 -1.4 25.9 36 38 A V < - 0 0 20 -3,-1.1 7,-2.5 -20,-0.3 2,-0.3 -0.588 42.6-170.7 -73.4 130.4 -0.4 -1.4 29.6 37 39 A E E -K 42 0D 122 -2,-0.3 2,-0.4 5,-0.2 -2,-0.1 -0.942 22.6-160.6-128.7 150.1 -3.4 0.8 30.4 38 40 A V E > S-K 41 0D 77 3,-2.5 3,-1.4 -2,-0.3 -2,-0.0 -0.977 85.1 -15.5-129.9 112.8 -5.0 2.3 33.5 39 41 A N T 3 S- 0 0 143 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 0.873 127.7 -55.3 61.0 39.9 -8.6 3.4 33.2 40 42 A G T 3 S+ 0 0 60 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.529 117.2 111.4 73.4 4.3 -8.4 3.3 29.4 41 43 A K E < S-K 38 0D 140 -3,-1.4 -3,-2.5 1,-0.1 -1,-0.2 -0.826 78.8 -88.8-110.2 152.3 -5.4 5.6 29.4 42 44 A P E +K 37 0D 45 0, 0.0 26,-0.4 0, 0.0 -5,-0.2 -0.316 47.5 159.3 -61.0 133.7 -1.8 4.8 28.4 43 45 A A + 0 0 12 -7,-2.5 27,-0.1 -9,-0.3 -6,-0.1 -0.234 20.8 178.7-148.8 44.6 0.4 3.6 31.3 44 46 A G - 0 0 0 25,-2.3 2,-0.3 -10,-0.3 25,-0.3 -0.090 11.4-148.6 -53.0 150.7 3.2 1.9 29.4 45 47 A E E -I 33 0C 38 -12,-1.9 -12,-3.3 26,-0.2 2,-0.5 -0.882 16.2-147.4-129.4 156.2 6.1 0.3 31.3 46 48 A I E -IJ 32 60C 0 14,-2.8 13,-2.1 -2,-0.3 14,-1.7 -0.991 31.5-167.9-119.7 121.7 9.8 -0.5 30.9 47 49 A L E -IJ 31 58C 6 -16,-3.4 -16,-2.2 -2,-0.5 2,-0.5 -0.859 23.4-143.6-120.6 151.4 10.8 -3.7 32.6 48 50 A R E -IJ 30 57C 62 9,-3.0 9,-1.8 -2,-0.3 2,-0.5 -0.910 23.7-151.6-106.2 132.5 13.9 -5.6 33.7 49 51 A I E -IJ 29 56C 5 -20,-2.9 2,-0.9 -2,-0.5 -20,-0.7 -0.933 11.2-139.0-111.0 129.7 13.6 -9.3 33.4 50 52 A D > - 0 0 84 5,-2.6 4,-3.5 -2,-0.5 3,-0.5 -0.794 15.9-158.4 -84.0 108.6 15.6 -11.8 35.6 51 53 A L T 4 S+ 0 0 72 -2,-0.9 -1,-0.2 1,-0.2 -23,-0.0 0.716 86.9 56.1 -63.4 -21.4 16.6 -14.4 33.0 52 54 A K T 4 S+ 0 0 191 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.847 125.8 17.1 -79.4 -32.8 17.1 -17.1 35.6 53 55 A T T 4 S- 0 0 89 -3,-0.5 -2,-0.2 2,-0.1 3,-0.1 0.635 91.7-126.3-112.7 -23.6 13.6 -16.8 37.1 54 56 A G < + 0 0 15 -4,-3.5 -41,-0.3 1,-0.3 -3,-0.1 0.449 57.1 153.7 86.2 -0.6 11.5 -15.0 34.5 55 57 A K - 0 0 157 -5,-0.3 -5,-2.6 -43,-0.1 2,-0.3 -0.402 34.5-140.5 -66.7 136.8 10.6 -12.5 37.2 56 58 A K E -J 49 0C 85 -7,-0.2 2,-0.4 -2,-0.1 -7,-0.2 -0.744 16.9-173.4-102.8 147.0 9.6 -9.0 36.1 57 59 A T E -J 48 0C 83 -9,-1.8 -9,-3.0 -2,-0.3 2,-0.7 -0.986 20.4-139.3-139.5 120.7 10.5 -5.7 37.6 58 60 A V E +J 47 0C 64 -2,-0.4 -11,-0.3 -11,-0.2 3,-0.1 -0.753 25.0 172.9 -83.4 113.7 9.0 -2.4 36.3 59 61 A I E + 0 0 27 -13,-2.1 2,-0.3 -2,-0.7 -12,-0.2 0.702 66.5 21.3 -92.9 -22.3 11.9 0.1 36.4 60 62 A C E -J 46 0C 7 -14,-1.7 -14,-2.8 2,-0.0 -1,-0.3 -0.987 44.4-177.5-151.9 135.4 10.0 2.9 34.6 61 63 A K - 0 0 91 -2,-0.3 -16,-0.2 -16,-0.2 -17,-0.1 -0.758 37.4-147.4-128.6 76.5 6.4 3.9 34.0 62 64 A P + 0 0 2 0, 0.0 7,-2.7 0, 0.0 2,-0.3 -0.172 28.6 159.7 -54.7 136.1 7.0 7.0 31.8 63 65 A E E -L 68 0E 98 5,-0.3 2,-0.5 -20,-0.1 5,-0.2 -0.961 23.3-158.0-157.3 138.1 4.7 9.9 31.9 64 66 A V E > S-L 67 0E 22 3,-2.2 3,-2.1 -2,-0.3 0, 0.0 -0.981 80.8 -20.7-124.7 116.4 5.1 13.6 30.9 65 67 A N T 3 S- 0 0 135 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.823 130.6 -47.4 56.1 35.8 2.6 16.1 32.5 66 68 A G T 3 S+ 0 0 66 1,-0.2 2,-0.8 0, 0.0 -1,-0.3 0.299 111.2 123.4 91.4 -11.4 0.1 13.4 33.3 67 69 A Y E < -L 64 0E 105 -3,-2.1 -3,-2.2 -26,-0.0 -1,-0.2 -0.772 55.8-142.3 -89.1 108.1 0.4 11.8 29.8 68 70 A G E -L 63 0E 13 -2,-0.8 -5,-0.3 -26,-0.4 -25,-0.2 -0.370 17.7-124.8 -68.3 146.6 1.4 8.2 30.1 69 71 A G - 0 0 0 -7,-2.7 -25,-2.3 -25,-0.3 -1,-0.1 -0.349 6.5-143.6 -90.4 170.4 3.8 6.8 27.5 70 72 A I - 0 0 23 -27,-0.1 18,-2.8 -28,-0.1 2,-0.4 -0.713 24.5-164.5-129.8 71.2 3.6 3.9 25.1 71 73 A P E +M 87 0F 0 0, 0.0 16,-0.3 0, 0.0 -26,-0.2 -0.514 21.1 159.7 -63.0 120.9 7.3 2.7 25.2 72 74 A A E + 0 0 3 14,-3.3 -52,-0.9 -2,-0.4 2,-0.3 0.621 49.0 27.8-122.5 -18.8 7.7 0.3 22.2 73 75 A G E -M 86 0F 0 13,-1.4 13,-2.5 -54,-0.2 2,-0.3 -0.996 57.4-160.9-147.9 155.3 11.3 -0.1 21.1 74 76 A C E -M 85 0F 3 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.965 13.4-179.1-141.9 155.6 14.8 0.1 22.6 75 77 A Q E -M 84 0F 9 9,-1.6 9,-3.0 -2,-0.3 2,-0.3 -0.979 29.1-128.7-148.0 130.5 18.5 0.5 21.8 76 78 A C E -M 83 0F 2 -2,-0.3 228,-0.3 7,-0.2 7,-0.2 -0.659 24.9-122.9 -84.5 142.3 21.2 0.4 24.5 77 79 A D - 0 0 17 5,-2.7 -52,-0.2 -2,-0.3 5,-0.1 -0.435 9.6-149.2 -80.3 156.9 23.8 3.2 24.5 78 80 A R S S+ 0 0 35 -2,-0.1 -1,-0.1 3,-0.1 230,-0.1 0.917 91.2 42.6 -90.0 -55.2 27.5 2.6 24.2 79 81 A D S S+ 0 0 92 1,-0.1 2,-0.3 228,-0.1 -1,-0.1 0.602 125.9 26.5 -71.1 -13.9 29.2 5.5 26.1 80 82 A A S S- 0 0 35 2,-0.2 2,-2.0 0, 0.0 -3,-0.2 -0.988 84.1-115.3-147.5 144.1 26.7 5.2 29.0 81 83 A N S S+ 0 0 33 -2,-0.3 16,-0.6 -5,-0.1 2,-0.3 -0.573 74.7 118.6 -83.0 77.3 24.6 2.3 30.3 82 84 A Q E - 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