==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-SEP-06 2IAP . COMPND 2 MOLECULE: DIISOPROPYLFLUOROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LOLIGO VULGARIS; . AUTHOR E.I.SCHARFF,J.KOEPKE,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) . 13381.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 206 66.0 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 . 22 7.1 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 3 A I 0 0 105 0, 0.0 258,-0.1 0, 0.0 257,-0.1 0.000 360.0 360.0 360.0 116.3 10.7 -21.0 0.9 2 4 A P - 0 0 81 0, 0.0 258,-1.8 0, 0.0 2,-0.4 -0.314 360.0-155.8 -61.4 139.6 12.1 -23.5 3.5 3 5 A V E -a 260 0A 69 256,-0.2 2,-0.3 258,-0.1 258,-0.2 -0.954 5.9-161.7-121.3 137.5 10.8 -23.2 7.0 4 6 A I E -a 261 0A 44 256,-2.2 258,-2.6 -2,-0.4 255,-0.0 -0.856 7.2-155.2-114.4 152.8 12.4 -24.3 10.3 5 7 A E - 0 0 156 -2,-0.3 3,-0.1 256,-0.2 256,-0.1 -0.603 19.4-178.9-128.1 73.7 10.7 -24.9 13.6 6 8 A P - 0 0 34 0, 0.0 2,-0.4 0, 0.0 289,-0.0 -0.205 40.7 -88.2 -69.0 162.0 13.2 -24.4 16.4 7 9 A L - 0 0 141 287,-0.1 2,-0.6 256,-0.1 287,-0.4 -0.608 37.9-152.5 -74.2 122.4 12.2 -24.9 20.1 8 10 A F - 0 0 16 -2,-0.4 2,-0.5 285,-0.1 285,-0.2 -0.883 9.2-158.4 -97.8 122.8 10.7 -21.7 21.6 9 11 A T E -E 292 0B 62 283,-3.1 283,-1.7 -2,-0.6 2,-0.1 -0.891 20.9-116.7-103.8 130.2 11.3 -21.6 25.4 10 12 A K E +E 291 0B 76 -2,-0.5 281,-0.3 281,-0.2 3,-0.1 -0.388 33.4 174.3 -64.2 140.5 9.0 -19.4 27.5 11 13 A V E - 0 0 23 279,-3.0 2,-0.3 1,-0.5 280,-0.2 0.740 59.9 -20.5-113.1 -51.7 10.9 -16.6 29.3 12 14 A T E -E 290 0B 9 278,-1.3 278,-2.3 37,-0.0 -1,-0.5 -0.977 58.6-153.4-157.6 162.6 8.2 -14.4 30.9 13 15 A E + 0 0 92 -2,-0.3 276,-0.2 41,-0.3 275,-0.1 -0.808 57.8 50.7-136.6 177.9 4.4 -13.6 30.7 14 16 A D + 0 0 124 273,-0.6 275,-0.2 274,-0.3 -1,-0.2 0.909 61.0 142.5 57.3 51.8 1.6 -11.1 31.3 15 17 A I > - 0 0 1 273,-2.3 3,-2.5 272,-0.2 -1,-0.2 -0.889 51.9-129.4-122.1 93.2 3.3 -8.2 29.5 16 18 A P T 3 S- 0 0 45 0, 0.0 19,-1.7 0, 0.0 20,-0.3 -0.234 89.2 -7.5 -47.6 109.4 0.6 -6.2 27.7 17 19 A G T 3 S- 0 0 0 17,-0.2 268,-0.1 268,-0.2 15,-0.1 0.747 92.9-153.2 71.9 26.7 1.7 -5.6 24.1 18 20 A A < + 0 0 0 -3,-2.5 2,-0.2 266,-0.3 15,-0.2 0.066 37.6 117.8 -36.0 124.5 5.2 -7.1 24.9 19 21 A Q E +H 32 0C 12 13,-1.9 13,-2.9 -3,-0.1 54,-0.1 -0.884 25.7 78.1-166.9-166.0 7.9 -5.8 22.6 20 22 A G E - 0 0 1 52,-0.5 2,-0.1 -2,-0.2 53,-0.1 0.827 57.0-170.3 54.4 43.4 11.2 -3.8 22.5 21 23 A P E + 0 0 3 0, 0.0 2,-0.3 0, 0.0 10,-0.2 -0.423 15.6 161.6 -65.9 135.0 13.5 -6.7 23.8 22 24 A V E -H 30 0C 0 8,-2.3 8,-2.6 -2,-0.1 2,-0.4 -0.997 32.8-144.0-156.0 150.2 17.0 -5.4 24.5 23 25 A F E -H 29 0C 3 -2,-0.3 53,-0.2 6,-0.2 6,-0.2 -0.950 20.9-145.3-115.2 137.7 20.2 -6.3 26.4 24 26 A D > - 0 0 5 4,-2.2 3,-1.4 -2,-0.4 57,-0.1 -0.190 39.1 -82.3 -89.8-170.8 22.3 -3.7 28.1 25 27 A K T 3 S+ 0 0 94 1,-0.3 -1,-0.0 52,-0.2 56,-0.0 0.609 128.8 51.1 -68.3 -14.9 26.1 -3.6 28.6 26 28 A N T 3 S- 0 0 124 2,-0.1 -1,-0.3 55,-0.0 55,-0.0 0.334 120.4-105.3-102.2 2.5 26.0 -5.9 31.6 27 29 A G S < S+ 0 0 33 -3,-1.4 2,-0.2 1,-0.3 -2,-0.1 0.593 70.5 148.6 85.0 8.7 23.9 -8.5 29.8 28 30 A D - 0 0 74 22,-0.0 -4,-2.2 1,-0.0 2,-0.4 -0.544 41.5-129.5 -77.3 146.1 20.7 -7.6 31.6 29 31 A F E +HI 23 49C 2 20,-0.7 20,-2.7 -6,-0.2 2,-0.3 -0.822 26.8 176.6-103.8 136.3 17.5 -8.1 29.7 30 32 A Y E +HI 22 48C 1 -8,-2.6 -8,-2.3 -2,-0.4 2,-0.3 -0.952 4.7 177.9-134.0 153.7 14.6 -5.5 29.3 31 33 A I E - I 0 47C 0 16,-1.9 16,-3.2 -2,-0.3 2,-0.4 -0.915 22.8-123.2-145.6 166.7 11.3 -5.3 27.5 32 34 A V E -HI 19 46C 0 -13,-2.9 -13,-1.9 -2,-0.3 14,-0.2 -0.902 4.8-158.3-119.7 148.2 8.5 -2.8 27.2 33 35 A A E > + I 0 45C 1 12,-3.0 12,-2.1 -2,-0.4 3,-1.2 -0.780 18.4 172.9-121.9 80.3 4.8 -3.2 27.9 34 36 A P T 3 S+ 0 0 8 0, 0.0 10,-0.3 0, 0.0 9,-0.3 0.778 71.7 57.3 -60.1 -29.7 3.3 -0.4 25.8 35 37 A E T 3 + 0 0 111 -19,-1.7 2,-0.3 -3,-0.1 -18,-0.2 0.229 67.8 122.7 -93.4 14.2 -0.3 -1.4 26.4 36 38 A V < - 0 0 22 -3,-1.2 7,-2.1 -20,-0.3 2,-0.3 -0.607 45.5-171.6 -73.3 130.0 -0.4 -1.3 30.2 37 39 A E E -K 42 0D 119 -2,-0.3 2,-0.5 5,-0.2 -2,-0.1 -0.932 27.5-152.3-129.8 154.1 -3.3 1.2 31.1 38 40 A V E > S-K 41 0D 77 3,-2.4 3,-1.4 -2,-0.3 -2,-0.0 -0.969 88.8 -19.4-125.6 107.7 -4.7 2.9 34.1 39 41 A N T 3 S- 0 0 151 -2,-0.5 -1,-0.1 1,-0.3 0, 0.0 0.873 126.7 -53.9 61.1 41.4 -8.4 3.7 33.8 40 42 A G T 3 S+ 0 0 53 1,-0.2 -1,-0.3 3,-0.0 3,-0.0 0.431 116.2 113.1 76.7 -1.7 -8.2 3.4 30.0 41 43 A K E < S-K 38 0D 144 -3,-1.4 -3,-2.4 1,-0.1 -1,-0.2 -0.780 79.3 -86.1-103.6 149.6 -5.4 5.9 29.7 42 44 A P E +K 37 0D 45 0, 0.0 26,-0.4 0, 0.0 -5,-0.2 -0.232 51.7 155.2 -55.0 131.6 -1.8 5.1 28.7 43 45 A A + 0 0 11 -7,-2.1 27,-0.2 -9,-0.3 -6,-0.1 -0.180 22.7 177.4-151.5 42.6 0.5 3.9 31.5 44 46 A G - 0 0 0 25,-2.5 25,-0.3 -10,-0.3 2,-0.3 -0.074 12.4-146.1 -53.4 152.5 3.1 1.9 29.5 45 47 A E E -I 33 0C 31 -12,-2.1 -12,-3.0 26,-0.2 2,-0.5 -0.849 17.3-147.8-128.6 159.1 6.1 0.3 31.2 46 48 A I E -IJ 32 60C 0 14,-2.7 14,-1.8 -2,-0.3 13,-1.7 -0.992 32.5-168.1-120.6 121.9 9.7 -0.6 30.7 47 49 A L E -IJ 31 58C 6 -16,-3.2 -16,-1.9 -2,-0.5 2,-0.4 -0.844 22.5-141.4-120.2 155.0 10.6 -3.8 32.6 48 50 A R E -IJ 30 57C 63 9,-3.1 9,-1.8 -2,-0.3 2,-0.5 -0.928 21.9-152.0-109.2 132.5 13.7 -5.7 33.6 49 51 A I E -IJ 29 56C 4 -20,-2.7 2,-0.9 -2,-0.4 -20,-0.7 -0.932 10.8-138.0-111.3 127.9 13.5 -9.5 33.4 50 52 A D > - 0 0 84 5,-2.4 4,-3.7 -2,-0.5 3,-0.5 -0.776 14.4-158.4 -83.0 109.6 15.5 -11.8 35.6 51 53 A L T 4 S+ 0 0 70 -2,-0.9 -1,-0.2 1,-0.2 -23,-0.0 0.708 87.0 56.6 -63.3 -22.4 16.5 -14.5 33.1 52 54 A K T 4 S+ 0 0 192 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.851 127.1 14.3 -78.5 -33.2 17.1 -17.1 35.8 53 55 A T T 4 S- 0 0 93 -3,-0.5 -2,-0.2 2,-0.1 3,-0.1 0.638 91.1-126.4-114.6 -23.7 13.6 -16.9 37.3 54 56 A G < + 0 0 16 -4,-3.7 -41,-0.3 1,-0.3 -3,-0.1 0.435 56.6 152.9 87.1 -1.3 11.6 -15.1 34.6 55 57 A K - 0 0 158 -5,-0.3 -5,-2.4 -43,-0.1 -1,-0.3 -0.400 36.3-136.0 -66.3 136.1 10.5 -12.6 37.3 56 58 A K E -J 49 0C 84 -7,-0.2 2,-0.4 -2,-0.1 -7,-0.2 -0.679 17.9-172.0 -98.0 148.4 9.5 -9.1 36.1 57 59 A T E -J 48 0C 78 -9,-1.8 -9,-3.1 -2,-0.3 2,-0.8 -0.977 19.2-141.6-140.0 118.2 10.4 -5.7 37.6 58 60 A V E +J 47 0C 65 -2,-0.4 -11,-0.2 -11,-0.2 3,-0.1 -0.750 26.2 171.1 -81.6 109.9 8.9 -2.5 36.3 59 61 A I E + 0 0 25 -13,-1.7 2,-0.4 -2,-0.8 -1,-0.2 0.744 64.8 24.8 -90.8 -27.5 11.8 -0.0 36.4 60 62 A C E +J 46 0C 6 -14,-1.8 -14,-2.7 35,-0.0 -1,-0.3 -0.995 45.3 177.5-144.9 134.4 10.2 2.8 34.6 61 63 A K - 0 0 94 -2,-0.4 -16,-0.2 -16,-0.2 -17,-0.1 -0.743 36.1-148.5-131.8 75.9 6.5 3.9 34.0 62 64 A P + 0 0 2 0, 0.0 7,-2.9 0, 0.0 2,-0.3 -0.185 26.6 163.1 -56.7 133.6 7.1 7.1 32.0 63 65 A E E -L 68 0E 104 5,-0.3 2,-0.4 -20,-0.1 5,-0.2 -0.983 18.2-164.4-149.9 141.8 4.8 10.1 32.2 64 66 A V E > S-L 67 0E 22 3,-1.9 3,-1.9 -2,-0.3 0, 0.0 -0.970 79.1 -18.6-133.6 114.7 5.3 13.8 31.2 65 67 A N T 3 S- 0 0 130 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.826 129.9 -50.0 59.5 33.9 2.8 16.4 32.5 66 68 A G T 3 S+ 0 0 65 1,-0.2 2,-0.8 0, 0.0 -1,-0.3 0.412 110.5 124.4 87.0 -4.3 0.3 13.7 33.4 67 69 A Y E < -L 64 0E 101 -3,-1.9 -3,-1.9 71,-0.0 -1,-0.2 -0.831 56.0-139.7 -94.5 111.5 0.5 12.1 29.9 68 70 A G E -L 63 0E 15 -2,-0.8 -5,-0.3 -26,-0.4 -25,-0.2 -0.369 18.4-122.5 -68.9 144.8 1.4 8.4 30.3 69 71 A G - 0 0 0 -7,-2.9 -25,-2.5 -25,-0.3 -1,-0.1 -0.295 6.4-146.9 -85.2 169.8 3.9 6.9 27.8 70 72 A I - 0 0 23 -27,-0.2 18,-2.9 -28,-0.1 2,-0.2 -0.707 23.6-157.6-132.1 71.1 3.5 4.0 25.4 71 73 A P E +M 87 0F 0 0, 0.0 16,-0.3 0, 0.0 -26,-0.2 -0.409 23.0 164.0 -57.1 124.8 7.2 2.7 25.4 72 74 A A E + 0 0 1 14,-3.6 -52,-0.5 1,-0.3 2,-0.3 0.650 47.4 14.7-121.8 -23.2 7.6 0.7 22.2 73 75 A G E -M 86 0F 0 13,-1.4 13,-2.8 -54,-0.1 2,-0.3 -0.990 56.5-154.7-156.9 154.2 11.2 -0.0 21.2 74 76 A C E +M 85 0F 3 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.946 14.4 177.3-139.6 156.2 14.7 -0.0 22.6 75 77 A Q E -M 84 0F 8 9,-1.5 9,-3.1 -2,-0.3 2,-0.4 -0.978 30.5-127.2-148.0 135.5 18.5 0.2 21.9 76 78 A C E -M 83 0F 0 -2,-0.3 228,-0.4 -53,-0.2 7,-0.2 -0.741 24.7-127.0 -90.2 138.9 21.3 0.2 24.5 77 79 A D - 0 0 18 5,-3.1 -52,-0.2 -2,-0.4 5,-0.1 -0.343 8.6-148.7 -78.0 161.3 23.8 3.1 24.4 78 80 A R S S+ 0 0 35 3,-0.1 -1,-0.1 -2,-0.1 230,-0.1 0.899 88.7 49.7 -94.9 -57.0 27.5 2.5 24.2 79 81 A D S S+ 0 0 93 1,-0.1 2,-0.3 228,-0.0 -1,-0.1 0.578 126.3 19.8 -63.5 -12.1 29.3 5.3 26.1 80 82 A A S S- 0 0 39 2,-0.2 2,-1.9 0, 0.0 -3,-0.2 -0.964 87.4-110.5-155.3 142.6 27.0 4.9 29.1 81 83 A N S S+ 0 0 35 -2,-0.3 16,-0.5 -5,-0.1 2,-0.3 -0.593 74.0 122.5 -79.0 81.5 24.9 2.0 30.1 82 84 A Q E - 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