==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-JUN-03 1PJX . COMPND 2 MOLECULE: DIISOPROPYLFLUOROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LOLIGO VULGARIS; . AUTHOR J.KOEPKE,H.RUETERJANS,C.LUECKE,G.FRITZSCH . 314 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13668.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 202 64.3 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 42.0 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 . 1 0.3 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 . 26 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 7.0 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 1 A M 0 0 90 0, 0.0 4,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0-127.0 9.9 -25.3 1.3 2 2 A E + 0 0 77 2,-0.2 259,-0.1 259,-0.0 258,-0.1 -0.201 360.0 59.2 -11.1 107.8 11.8 -23.4 -0.6 3 3 A I S S- 0 0 55 -2,-0.2 258,-0.2 256,-0.1 257,-0.1 0.320 113.6-143.8 -63.6 120.8 11.1 -21.2 1.0 4 4 A P - 0 0 57 0, 0.0 258,-2.2 0, 0.0 2,-0.4 -0.365 12.8-153.6 -59.2 141.6 12.8 -23.5 3.6 5 5 A V E -a 262 0A 61 -4,-0.2 2,-0.3 256,-0.2 258,-0.2 -0.970 6.1-161.7-119.2 133.6 11.3 -23.5 7.1 6 6 A I E -a 263 0A 48 256,-2.4 258,-2.6 -2,-0.4 255,-0.0 -0.833 6.8-157.0-110.9 154.9 13.0 -24.3 10.3 7 7 A E - 0 0 162 -2,-0.3 258,-0.1 256,-0.2 256,-0.1 -0.600 18.5-179.8-132.3 71.0 11.4 -25.2 13.6 8 8 A P - 0 0 31 0, 0.0 2,-0.4 0, 0.0 289,-0.0 -0.270 39.6 -92.7 -69.4 160.3 13.7 -24.5 16.4 9 9 A L - 0 0 142 287,-0.1 2,-0.5 256,-0.1 287,-0.4 -0.605 37.3-149.7 -73.9 124.8 12.7 -25.2 20.1 10 10 A F - 0 0 17 -2,-0.4 2,-0.4 285,-0.1 285,-0.2 -0.858 8.4-159.4 -97.1 126.8 11.2 -22.1 21.7 11 11 A T E -E 294 0B 66 283,-2.8 283,-2.0 -2,-0.5 2,-0.1 -0.910 22.6-114.7-107.4 133.4 11.8 -21.8 25.5 12 12 A K E +E 293 0B 76 -2,-0.4 281,-0.3 281,-0.2 3,-0.1 -0.404 33.5 173.8 -69.2 140.1 9.5 -19.6 27.6 13 13 A V E - 0 0 19 279,-3.0 2,-0.3 1,-0.4 280,-0.2 0.771 60.8 -21.8-110.2 -54.9 11.3 -16.6 29.2 14 14 A T E -E 292 0B 8 278,-1.5 278,-2.6 37,-0.0 -1,-0.4 -0.969 59.5-143.8-158.3 167.8 8.5 -14.5 30.8 15 15 A E + 0 0 94 41,-0.3 276,-0.2 -2,-0.3 275,-0.1 -0.850 59.8 36.8-135.8 162.2 4.7 -13.9 30.6 16 16 A D + 0 0 119 273,-0.6 275,-0.2 274,-0.4 -1,-0.2 0.915 60.9 144.5 61.2 58.6 1.9 -11.4 30.9 17 17 A I > - 0 0 2 273,-2.6 3,-2.4 272,-0.2 -1,-0.2 -0.918 49.9-128.0-126.1 100.0 3.5 -8.3 29.3 18 18 A P T 3 S- 0 0 54 0, 0.0 19,-1.7 0, 0.0 20,-0.4 -0.251 90.1 -6.7 -59.9 119.2 0.9 -6.3 27.3 19 19 A G T 3 S- 0 0 1 17,-0.2 268,-0.1 18,-0.2 15,-0.1 0.734 90.5-148.7 69.6 25.5 2.2 -5.6 23.9 20 20 A A < + 0 0 0 -3,-2.4 2,-0.2 266,-0.2 15,-0.2 0.136 36.4 146.9 -34.8 125.4 5.6 -7.1 24.9 21 21 A E E +H 34 0C 6 13,-2.5 13,-2.6 -3,-0.1 54,-0.2 -0.815 28.0 44.2-152.8 174.3 8.2 -5.2 22.8 22 22 A G E - 0 0 1 52,-0.8 53,-0.1 -2,-0.2 -1,-0.1 0.758 58.5-165.6 47.8 47.8 11.6 -3.8 22.5 23 23 A P E + 0 0 3 0, 0.0 2,-0.3 0, 0.0 10,-0.2 -0.342 20.0 164.0 -62.6 140.0 13.8 -6.6 23.9 24 24 A V E -H 32 0C 0 8,-2.1 8,-2.6 250,-0.1 2,-0.4 -0.996 33.7-141.0-158.3 147.0 17.2 -5.3 24.7 25 25 A F E -H 31 0C 2 -2,-0.3 6,-0.2 6,-0.2 53,-0.2 -0.907 22.0-144.6-105.1 140.7 20.4 -6.2 26.6 26 26 A D > - 0 0 6 4,-2.4 3,-1.5 -2,-0.4 57,-0.1 -0.245 38.0 -87.2 -91.9-175.6 22.4 -3.5 28.4 27 27 A K T 3 S+ 0 0 97 1,-0.3 56,-0.0 2,-0.1 -1,-0.0 0.680 128.6 52.1 -73.3 -11.2 26.1 -3.3 28.8 28 28 A N T 3 S- 0 0 130 2,-0.1 -1,-0.3 55,-0.0 3,-0.1 0.317 120.5-106.7 -96.2 -2.0 26.0 -5.5 32.0 29 29 A G S < S+ 0 0 39 -3,-1.5 2,-0.2 1,-0.3 -2,-0.1 0.571 70.5 147.3 80.1 11.3 24.0 -8.2 30.2 30 30 A D - 0 0 68 22,-0.0 -4,-2.4 1,-0.0 2,-0.4 -0.527 41.7-132.2 -74.1 152.7 20.8 -7.3 32.0 31 31 A F E -HI 25 51C 2 20,-0.6 20,-2.7 -6,-0.2 2,-0.3 -0.885 23.4-175.8-115.4 135.9 17.7 -7.9 29.9 32 32 A Y E -HI 24 50C 0 -8,-2.6 -8,-2.1 -2,-0.4 2,-0.3 -0.934 7.4-173.5-132.4 152.1 14.8 -5.5 29.5 33 33 A I E - I 0 49C 0 16,-1.9 16,-3.2 -2,-0.3 2,-0.3 -0.963 18.2-134.3-136.3 152.1 11.4 -5.5 27.8 34 34 A V E -HI 21 48C 0 -13,-2.6 -13,-2.5 -2,-0.3 14,-0.2 -0.849 2.9-156.8-109.9 150.7 8.8 -2.8 27.2 35 35 A A E > + I 0 47C 1 12,-3.1 12,-1.7 -2,-0.3 3,-1.1 -0.784 20.1 169.6-122.3 76.7 5.1 -3.2 27.8 36 36 A P T 3 + 0 0 6 0, 0.0 10,-0.3 0, 0.0 9,-0.2 0.784 69.4 57.5 -63.1 -29.9 3.6 -0.4 25.6 37 37 A E T 3 + 0 0 113 -19,-1.7 2,-0.2 -3,-0.1 -18,-0.2 0.275 68.5 124.1-101.0 14.7 0.0 -1.5 25.9 38 38 A V < - 0 0 20 -3,-1.1 7,-2.7 -20,-0.4 2,-0.3 -0.517 41.9-171.2 -66.5 133.8 -0.5 -1.4 29.7 39 39 A E E -K 44 0D 127 5,-0.2 2,-0.4 -2,-0.2 -2,-0.1 -0.945 20.3-160.7-130.5 152.5 -3.4 0.8 30.5 40 40 A V E > S-K 43 0D 75 3,-2.3 3,-1.8 -2,-0.3 -2,-0.0 -0.997 85.7 -11.8-131.5 116.8 -4.9 2.3 33.6 41 41 A N T 3 S- 0 0 160 -2,-0.4 -1,-0.1 1,-0.2 0, 0.0 0.872 129.2 -57.8 59.4 35.3 -8.5 3.5 33.5 42 42 A G T 3 S+ 0 0 61 1,-0.2 -1,-0.2 3,-0.0 -3,-0.0 0.553 117.1 106.2 76.4 7.3 -8.3 3.2 29.6 43 43 A K E < S-K 40 0D 148 -3,-1.8 -3,-2.3 1,-0.0 -1,-0.2 -0.871 81.7 -82.7-119.4 152.8 -5.4 5.6 29.3 44 44 A P E +K 39 0D 42 0, 0.0 26,-0.4 0, 0.0 -5,-0.2 -0.292 48.5 158.0 -62.0 141.3 -1.8 4.7 28.5 45 45 A A + 0 0 12 -7,-2.7 27,-0.1 -9,-0.2 -6,-0.1 -0.257 22.0 176.1-152.4 47.7 0.4 3.5 31.4 46 46 A G - 0 0 0 25,-2.5 2,-0.3 -10,-0.3 25,-0.3 -0.111 13.3-144.7 -68.8 161.0 3.1 1.6 29.6 47 47 A E E -I 35 0C 36 -12,-1.7 -12,-3.1 26,-0.2 2,-0.5 -0.883 16.2-144.0-131.1 153.9 6.1 0.2 31.4 48 48 A I E -IJ 34 62C 0 14,-2.8 13,-2.2 -2,-0.3 14,-1.6 -0.989 33.2-166.9-116.5 124.0 9.8 -0.6 31.0 49 49 A L E -IJ 33 60C 6 -16,-3.2 -16,-1.9 -2,-0.5 2,-0.4 -0.870 22.5-146.0-119.2 143.9 10.7 -3.9 32.7 50 50 A R E -IJ 32 59C 54 9,-2.7 9,-2.4 -2,-0.4 2,-0.5 -0.916 23.2-152.6 -96.2 135.7 13.9 -5.7 33.8 51 51 A I E -IJ 31 58C 3 -20,-2.7 2,-0.8 -2,-0.4 -20,-0.6 -0.942 11.7-138.2-111.6 128.1 13.6 -9.4 33.5 52 52 A D >> - 0 0 82 5,-2.7 4,-2.7 -2,-0.5 3,-0.9 -0.761 15.7-155.7 -81.5 109.1 15.6 -11.8 35.7 53 53 A L T 34 S+ 0 0 65 -2,-0.8 -1,-0.2 1,-0.2 -23,-0.0 0.731 87.6 55.1 -64.0 -19.7 16.6 -14.4 33.1 54 54 A K T 34 S+ 0 0 190 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.809 124.9 18.5 -78.5 -31.7 17.0 -17.1 35.7 55 55 A T T <4 S- 0 0 82 -3,-0.9 -2,-0.2 2,-0.1 -1,-0.1 0.534 91.3-125.9-116.1 -26.0 13.5 -16.9 37.2 56 56 A G < + 0 0 14 -4,-2.7 -41,-0.3 1,-0.3 -3,-0.1 0.396 58.2 150.3 79.4 3.0 11.4 -15.1 34.6 57 57 A K - 0 0 154 -5,-0.3 -5,-2.7 -43,-0.1 2,-0.4 -0.373 35.6-142.3 -73.0 144.5 10.4 -12.5 37.3 58 58 A K E -J 51 0C 84 -7,-0.2 2,-0.4 -3,-0.1 -7,-0.2 -0.853 15.0-170.7-110.9 139.8 9.6 -9.0 36.2 59 59 A T E -J 50 0C 84 -9,-2.4 -9,-2.7 -2,-0.4 2,-0.8 -0.999 21.2-136.4-127.2 130.2 10.4 -5.7 37.8 60 60 A V E +J 49 0C 63 -2,-0.4 -11,-0.3 -11,-0.2 3,-0.1 -0.745 26.1 173.6 -84.4 112.8 8.9 -2.4 36.5 61 61 A I E + 0 0 29 -13,-2.2 2,-0.3 -2,-0.8 -12,-0.2 0.760 66.3 15.6 -88.9 -28.3 11.8 0.0 36.5 62 62 A C E -J 48 0C 7 -14,-1.6 -14,-2.8 2,-0.1 -1,-0.3 -0.989 44.9-176.4-152.0 136.5 10.0 2.9 34.8 63 63 A K - 0 0 89 -2,-0.3 -16,-0.2 -16,-0.2 -17,-0.1 -0.827 37.6-148.1-129.1 80.8 6.3 3.8 34.0 64 64 A P + 0 0 2 0, 0.0 7,-2.6 0, 0.0 2,-0.3 -0.305 28.0 161.7 -70.3 141.9 7.0 7.0 32.1 65 65 A E E -L 70 0E 96 5,-0.3 2,-0.5 -20,-0.1 5,-0.2 -0.982 21.6-157.8-148.6 145.8 4.6 9.9 32.1 66 66 A V E > S-L 69 0E 27 3,-2.1 3,-2.1 -2,-0.3 0, 0.0 -0.986 82.0 -18.4-126.1 117.4 5.0 13.6 31.1 67 67 A N T 3 S- 0 0 142 -2,-0.5 3,-0.1 1,-0.3 -1,-0.1 0.807 130.2 -51.0 55.4 33.9 2.6 16.1 32.6 68 68 A G T 3 S+ 0 0 59 1,-0.2 2,-0.8 0, 0.0 -1,-0.3 0.336 110.0 123.7 89.2 -8.4 0.2 13.3 33.3 69 69 A Y E < -L 66 0E 104 -3,-2.1 -3,-2.1 71,-0.0 -1,-0.2 -0.813 57.1-137.9 -87.1 113.6 0.3 11.8 29.9 70 70 A G E -L 65 0E 12 -2,-0.8 -5,-0.3 -26,-0.4 -25,-0.2 -0.362 17.7-117.3 -71.3 151.2 1.4 8.1 30.1 71 71 A G - 0 0 0 -7,-2.6 -25,-2.5 -25,-0.3 -1,-0.1 -0.373 8.4-150.9 -84.5 163.5 3.8 6.6 27.7 72 72 A I - 0 0 22 -27,-0.1 18,-2.7 -28,-0.1 2,-0.3 -0.711 25.5-167.8-126.3 69.9 3.5 3.8 25.2 73 73 A P E +M 89 0F 0 0, 0.0 16,-0.3 0, 0.0 -26,-0.2 -0.545 19.1 159.4 -69.8 127.5 7.2 2.7 25.2 74 74 A A E + 0 0 2 14,-3.2 -52,-0.8 -2,-0.3 2,-0.3 0.565 48.4 27.5-130.6 -18.2 7.6 0.3 22.3 75 75 A G E -M 88 0F 0 13,-1.4 13,-2.5 -54,-0.2 2,-0.3 -0.994 57.6-162.8-156.2 151.5 11.3 -0.1 21.2 76 76 A C E -M 87 0F 3 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.974 14.1-179.6-140.0 153.0 14.8 0.1 22.7 77 77 A Q E -M 86 0F 9 9,-2.2 9,-3.2 -2,-0.3 2,-0.4 -0.986 28.4-127.3-140.2 146.1 18.5 0.4 22.0 78 78 A C E -M 85 0F 2 -2,-0.3 228,-0.4 7,-0.2 7,-0.2 -0.732 25.4-124.8 -89.4 139.4 21.3 0.5 24.6 79 79 A D - 0 0 17 5,-2.9 -52,-0.1 -2,-0.4 5,-0.1 -0.315 8.6-144.5 -72.2 165.0 23.8 3.4 24.5 80 80 A R S S+ 0 0 35 3,-0.1 -1,-0.1 48,-0.1 230,-0.1 0.873 91.8 43.2 -94.5 -52.4 27.5 2.7 24.2 81 81 A D S S+ 0 0 90 1,-0.1 2,-0.3 228,-0.1 -1,-0.0 0.681 125.2 25.8 -80.0 -15.2 29.2 5.5 26.2 82 82 A A S S- 0 0 38 2,-0.2 2,-1.7 0, 0.0 -3,-0.1 -0.979 85.5-113.7-139.2 151.5 26.8 5.2 29.2 83 83 A N S S+ 0 0 37 -2,-0.3 16,-0.6 -5,-0.1 2,-0.3 -0.616 73.4 121.4 -88.6 81.2 24.7 2.3 30.3 84 84 A Q E - 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