==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-MAY-06 2GVX . COMPND 2 MOLECULE: DIISOPROPYL FLUOROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LOLIGO VULGARIS; . AUTHOR M.-M.BLUM,F.LOHR,A.RICHARDT,H.RUTERJANS,J.C.-H.CHEN . 312 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13335.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 210 67.3 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 42.3 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 . 35 11.2 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 . 4 1.3 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 0 117 0, 0.0 258,-0.1 0, 0.0 257,-0.1 0.000 360.0 360.0 360.0 117.7 10.2 21.6 1.1 2 4 A P - 0 0 85 0, 0.0 258,-1.7 0, 0.0 2,-0.4 -0.331 360.0-159.7 -64.7 147.8 8.7 23.8 3.8 3 5 A V E -a 260 0A 66 256,-0.2 2,-0.3 258,-0.1 258,-0.2 -0.995 3.3-158.7-132.6 135.3 10.3 23.5 7.3 4 6 A I E -a 261 0A 46 256,-2.3 258,-2.5 -2,-0.4 255,-0.0 -0.818 8.2-155.8-113.5 154.8 8.8 24.5 10.7 5 7 A E + 0 0 160 -2,-0.3 258,-0.1 256,-0.2 256,-0.1 -0.667 20.9 179.9-128.0 75.8 10.6 25.2 13.9 6 8 A P - 0 0 33 0, 0.0 2,-0.5 0, 0.0 289,-0.0 -0.248 40.2 -90.6 -71.5 165.7 8.2 24.6 16.8 7 9 A L - 0 0 144 287,-0.1 2,-0.5 256,-0.0 287,-0.4 -0.670 37.9-152.0 -80.0 125.2 9.2 25.1 20.4 8 10 A F - 0 0 16 -2,-0.5 2,-0.5 285,-0.1 285,-0.2 -0.863 8.0-156.3 -99.0 129.1 10.6 21.9 22.0 9 11 A T E -E 292 0B 62 283,-2.7 283,-1.1 -2,-0.5 2,-0.0 -0.917 20.6-116.2-109.7 128.8 10.2 21.6 25.7 10 12 A K E +E 291 0B 79 -2,-0.5 281,-0.2 281,-0.2 3,-0.1 -0.349 34.7 172.5 -61.4 136.5 12.4 19.4 27.8 11 13 A V E - 0 0 18 279,-3.1 2,-0.3 1,-0.5 280,-0.2 0.770 60.1 -16.0-111.4 -53.8 10.6 16.6 29.5 12 14 A T E -E 290 0B 6 278,-1.4 278,-2.4 37,-0.0 -1,-0.5 -0.976 61.5-146.7-152.2 161.1 13.2 14.3 31.1 13 15 A E + 0 0 100 41,-0.4 276,-0.2 -2,-0.3 275,-0.1 -0.837 59.1 37.4-133.4 169.5 17.0 13.7 31.0 14 16 A D + 0 0 119 273,-0.5 275,-0.2 -2,-0.3 -1,-0.2 0.905 59.3 148.6 59.6 52.0 19.8 11.2 31.2 15 17 A I > - 0 0 1 273,-2.9 3,-2.7 -3,-0.2 -1,-0.2 -0.881 47.6-130.1-115.2 96.4 18.1 8.2 29.6 16 18 A P T 3 S- 0 0 48 0, 0.0 19,-1.5 0, 0.0 20,-0.4 -0.227 91.5 -3.4 -49.2 113.7 20.9 6.1 27.8 17 19 A G T 3 S- 0 0 0 17,-0.2 268,-0.1 18,-0.2 15,-0.1 0.754 92.7-147.5 72.1 25.0 19.7 5.5 24.3 18 20 A A < + 0 0 0 -3,-2.7 2,-0.3 266,-0.2 15,-0.2 0.158 39.2 137.5 -25.7 125.4 16.3 7.2 25.0 19 21 A E E +H 32 0C 10 13,-1.8 13,-3.1 1,-0.1 54,-0.1 -0.948 26.8 48.2-165.4 177.5 13.7 5.4 22.9 20 22 A G E - 0 0 2 52,-0.6 2,-0.1 -2,-0.3 -1,-0.1 0.819 58.4-166.1 46.0 52.7 10.3 3.8 22.6 21 23 A P E + 0 0 3 0, 0.0 2,-0.3 0, 0.0 10,-0.2 -0.445 19.6 159.0 -68.5 137.8 8.1 6.6 24.0 22 24 A V E -H 30 0C 0 8,-2.4 8,-2.9 -2,-0.1 2,-0.4 -0.994 34.9-138.8-157.9 156.3 4.5 5.4 24.7 23 25 A F E -H 29 0C 2 -2,-0.3 6,-0.2 6,-0.2 53,-0.2 -0.963 20.9-145.1-118.8 135.0 1.4 6.2 26.8 24 26 A D > - 0 0 4 4,-2.1 3,-1.2 -2,-0.4 57,-0.1 -0.155 40.8 -82.7 -87.0-170.6 -0.6 3.4 28.5 25 27 A K T 3 S+ 0 0 97 1,-0.3 -1,-0.1 2,-0.1 56,-0.0 0.620 128.8 53.3 -70.2 -12.7 -4.4 3.3 29.0 26 28 A N T 3 S- 0 0 118 2,-0.1 -1,-0.3 55,-0.0 3,-0.1 0.504 119.9-106.4 -97.7 -6.3 -4.3 5.5 32.0 27 29 A G < + 0 0 35 -3,-1.2 2,-0.2 1,-0.3 -2,-0.1 0.562 69.3 150.2 92.7 8.4 -2.3 8.2 30.2 28 30 A D - 0 0 67 1,-0.1 -4,-2.1 22,-0.0 2,-0.4 -0.517 41.3-129.2 -76.0 145.5 0.9 7.4 32.0 29 31 A F E +HI 23 49C 1 20,-0.7 20,-3.3 -6,-0.2 2,-0.3 -0.814 28.1 176.2-102.8 133.3 4.1 8.0 30.0 30 32 A Y E +HI 22 48C 1 -8,-2.9 -8,-2.4 -2,-0.4 2,-0.3 -0.942 7.5 175.4-132.6 155.2 7.0 5.5 29.5 31 33 A I E - I 0 47C 1 16,-1.8 16,-2.7 -2,-0.3 2,-0.4 -0.916 24.3-123.4-146.5 167.0 10.2 5.4 27.6 32 34 A V E -HI 19 46C 0 -13,-3.1 -13,-1.8 -2,-0.3 14,-0.2 -0.923 4.9-156.3-122.6 148.5 13.0 2.8 27.4 33 35 A A E > + I 0 45C 1 12,-2.7 12,-1.7 -2,-0.4 3,-1.3 -0.761 20.2 171.8-118.9 78.5 16.8 3.1 28.0 34 36 A P T 3 S+ 0 0 9 0, 0.0 10,-0.3 0, 0.0 9,-0.3 0.731 72.0 58.3 -60.4 -25.2 18.1 0.2 25.9 35 37 A E T 3 + 0 0 112 -19,-1.5 2,-0.2 -3,-0.1 -18,-0.2 0.316 68.1 121.7 -95.2 10.6 21.7 1.2 26.5 36 38 A V < - 0 0 26 -3,-1.3 7,-2.2 -20,-0.4 2,-0.3 -0.544 46.8-167.1 -69.7 135.4 21.9 1.1 30.3 37 39 A E E -K 42 0D 116 -2,-0.2 2,-0.5 5,-0.2 -2,-0.1 -0.937 25.4-153.4-131.4 152.7 24.7 -1.4 31.1 38 40 A V E > S-K 41 0D 75 3,-2.4 3,-1.9 -2,-0.3 -2,-0.0 -0.973 88.8 -19.4-123.9 112.4 26.1 -3.2 34.1 39 41 A N T 3 S- 0 0 160 -2,-0.5 -1,-0.1 1,-0.3 0, 0.0 0.854 126.5 -56.0 58.9 36.1 29.8 -4.1 33.9 40 42 A G T 3 S+ 0 0 54 1,-0.3 -1,-0.3 3,-0.0 3,-0.0 0.379 114.4 120.2 80.1 -6.1 29.6 -3.6 30.1 41 43 A K E < S-K 38 0D 147 -3,-1.9 -3,-2.4 1,-0.1 -1,-0.3 -0.672 78.0 -87.7 -93.4 147.9 26.8 -6.2 29.9 42 44 A P E +K 37 0D 42 0, 0.0 26,-0.3 0, 0.0 -5,-0.2 -0.274 53.6 158.5 -54.0 126.5 23.3 -5.3 28.5 43 45 A A + 0 0 9 -7,-2.2 27,-0.1 -9,-0.3 -6,-0.1 -0.156 16.7 175.9-145.9 43.6 21.1 -4.0 31.3 44 46 A G - 0 0 0 25,-2.5 25,-0.3 -10,-0.3 2,-0.3 -0.033 12.6-150.5 -51.9 152.5 18.3 -2.1 29.5 45 47 A E E -I 33 0C 36 -12,-1.7 -12,-2.7 26,-0.2 2,-0.5 -0.891 16.2-142.0-131.8 159.4 15.4 -0.5 31.4 46 48 A I E -IJ 32 60C 0 14,-2.7 13,-2.0 -2,-0.3 14,-1.6 -0.985 31.0-164.9-118.9 120.3 11.8 0.4 31.0 47 49 A L E -IJ 31 58C 6 -16,-2.7 -16,-1.8 -2,-0.5 2,-0.4 -0.828 19.8-146.3-115.1 148.6 10.9 3.7 32.8 48 50 A R E -IJ 30 57C 63 9,-3.1 9,-2.1 -2,-0.3 2,-0.4 -0.896 24.7-150.2-104.9 137.2 7.8 5.5 33.8 49 51 A I E -IJ 29 56C 4 -20,-3.3 2,-0.9 -2,-0.4 -20,-0.7 -0.928 12.4-137.1-116.1 134.5 8.0 9.2 33.6 50 52 A D >> - 0 0 77 5,-2.1 4,-3.7 -2,-0.4 3,-0.7 -0.774 15.8-158.6 -86.3 107.1 6.3 11.8 35.8 51 53 A L T 34 S+ 0 0 56 -2,-0.9 -1,-0.2 1,-0.2 -23,-0.0 0.745 88.2 52.1 -59.0 -24.3 5.2 14.4 33.2 52 54 A K T 34 S+ 0 0 206 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.783 127.2 17.9 -84.5 -27.4 4.9 17.1 35.9 53 55 A T T <4 S- 0 0 84 -3,-0.7 -2,-0.2 2,-0.1 3,-0.1 0.578 90.4-130.8-117.1 -18.4 8.3 16.7 37.5 54 56 A G < + 0 0 13 -4,-3.7 -41,-0.4 1,-0.3 -3,-0.1 0.491 54.0 152.6 78.4 1.8 10.3 14.8 34.8 55 57 A K - 0 0 160 -5,-0.3 -5,-2.1 -43,-0.1 2,-0.3 -0.417 38.3-130.9 -69.8 140.3 11.4 12.3 37.5 56 58 A K E -J 49 0C 86 -7,-0.2 2,-0.4 -2,-0.1 -7,-0.2 -0.703 19.4-172.2 -98.0 141.8 12.2 8.8 36.3 57 59 A T E -J 48 0C 80 -9,-2.1 -9,-3.1 -2,-0.3 2,-0.8 -0.951 17.6-144.9-132.7 111.4 11.0 5.5 37.8 58 60 A V E +J 47 0C 67 -2,-0.4 -11,-0.2 -11,-0.2 3,-0.1 -0.663 24.4 171.3 -76.2 111.5 12.5 2.2 36.5 59 61 A I E + 0 0 27 -13,-2.0 2,-0.3 -2,-0.8 -1,-0.2 0.713 64.9 23.0 -94.1 -23.8 9.7 -0.3 36.6 60 62 A C E -J 46 0C 6 -14,-1.6 -14,-2.7 35,-0.0 -1,-0.3 -0.970 45.2-179.2-150.1 131.8 11.4 -3.1 34.7 61 63 A K - 0 0 86 -2,-0.3 -16,-0.2 -16,-0.2 -17,-0.1 -0.761 36.3-147.4-125.9 78.3 15.0 -4.1 34.0 62 64 A P + 0 0 2 0, 0.0 7,-2.0 0, 0.0 2,-0.3 -0.063 29.1 156.0 -53.2 143.5 14.4 -7.3 31.9 63 65 A E E -L 68 0E 90 5,-0.3 2,-0.5 -20,-0.1 5,-0.3 -0.893 23.5-157.4-168.3 137.2 16.7 -10.3 31.9 64 66 A V E > S-L 67 0E 25 3,-2.4 3,-1.9 -2,-0.3 38,-0.0 -0.973 80.3 -19.0-125.4 116.7 16.2 -14.0 31.0 65 67 A N T 3 S- 0 0 130 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.836 131.3 -47.7 58.8 33.5 18.5 -16.6 32.4 66 68 A G T 3 S+ 0 0 64 1,-0.2 2,-0.6 0, 0.0 -1,-0.3 0.168 111.4 121.6 95.2 -19.2 21.1 -13.9 33.2 67 69 A Y E < -L 64 0E 105 -3,-1.9 -3,-2.4 22,-0.0 -1,-0.2 -0.701 55.0-143.1 -84.0 117.6 20.9 -12.3 29.8 68 70 A G E -L 63 0E 14 -2,-0.6 -5,-0.3 -26,-0.3 -25,-0.2 -0.402 17.0-119.5 -77.2 155.6 19.9 -8.6 30.1 69 71 A G - 0 0 0 -7,-2.0 -25,-2.5 -25,-0.3 -1,-0.1 -0.423 7.6-147.7 -95.3 169.3 17.7 -7.0 27.6 70 72 A I - 0 0 22 -27,-0.1 18,-2.5 -2,-0.1 2,-0.2 -0.632 25.6-164.7-129.8 67.6 18.0 -4.0 25.2 71 73 A P E +M 87 0F 0 0, 0.0 16,-0.3 0, 0.0 -26,-0.2 -0.418 21.1 159.3 -60.5 121.1 14.4 -2.8 25.2 72 74 A A E + 0 0 4 14,-3.0 -52,-0.6 1,-0.3 2,-0.3 0.662 50.0 28.8-120.1 -25.5 14.0 -0.4 22.2 73 75 A G E -M 86 0F 0 13,-1.7 13,-2.7 -54,-0.1 2,-0.3 -0.992 57.0-163.9-143.6 152.9 10.3 -0.0 21.1 74 76 A C E +M 85 0F 5 -2,-0.3 2,-0.3 11,-0.2 46,-0.2 -0.960 13.7 178.8-140.8 157.5 6.8 -0.1 22.6 75 77 A Q E -M 84 0F 8 9,-1.5 9,-3.0 -2,-0.3 2,-0.5 -0.975 29.3-128.7-147.6 138.2 3.1 -0.4 22.0 76 78 A C E -M 83 0F 0 -2,-0.3 228,-0.4 7,-0.2 7,-0.2 -0.811 25.8-128.3 -95.0 133.9 0.4 -0.4 24.6 77 79 A D - 0 0 15 5,-3.0 -52,-0.1 -2,-0.5 5,-0.1 -0.215 6.8-148.8 -72.4 166.6 -2.1 -3.2 24.3 78 80 A R S S+ 0 0 37 3,-0.1 -1,-0.1 48,-0.1 230,-0.1 0.816 90.5 54.4-102.4 -48.4 -5.9 -2.6 24.3 79 81 A D S S+ 0 0 91 1,-0.1 2,-0.3 228,-0.1 -1,-0.0 0.512 125.0 15.3 -68.7 -4.6 -7.4 -5.7 25.9 80 82 A A S S- 0 0 35 2,-0.2 2,-2.3 224,-0.0 -3,-0.2 -0.937 85.4-106.7-164.8 145.0 -5.2 -5.2 28.9 81 83 A N S S+ 0 0 35 -2,-0.3 16,-0.6 -5,-0.1 2,-0.3 -0.514 77.1 122.7 -78.1 76.6 -3.1 -2.3 30.2 82 84 A Q E - 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