==== 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 2GVU . COMPND 2 MOLECULE: PHOSPHOTRIESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LOLIGO VULGARIS; . AUTHOR J.C.H.CHEN,M.M.BLUM . 312 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13389.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 207 66.3 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 . 133 42.6 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 . 21 6.7 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 2 4 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 0 119 0, 0.0 258,-0.1 0, 0.0 257,-0.1 0.000 360.0 360.0 360.0 110.8 11.3 -62.6 88.5 2 4 A P - 0 0 86 0, 0.0 258,-2.0 0, 0.0 2,-0.4 -0.211 360.0-159.5 -59.0 146.1 12.7 -64.8 91.3 3 5 A V E -a 260 0A 70 256,-0.2 2,-0.3 258,-0.1 258,-0.2 -0.997 2.3-160.8-131.4 129.0 11.1 -64.5 94.7 4 6 A I E -a 261 0A 48 256,-2.3 258,-2.7 -2,-0.4 255,-0.0 -0.786 9.4-153.4-109.5 154.7 12.8 -65.5 98.0 5 7 A E - 0 0 158 -2,-0.3 258,-0.1 256,-0.2 256,-0.1 -0.690 21.0-176.5-126.1 77.3 11.1 -66.2 101.4 6 8 A P - 0 0 31 0, 0.0 2,-0.5 0, 0.0 289,-0.1 -0.249 38.7 -90.3 -71.0 163.6 13.6 -65.5 104.2 7 9 A L - 0 0 145 287,-0.1 2,-0.5 1,-0.0 287,-0.4 -0.644 40.8-153.7 -77.3 120.8 12.8 -66.2 107.8 8 10 A F - 0 0 22 -2,-0.5 2,-0.5 285,-0.1 285,-0.2 -0.849 4.9-159.3 -99.1 129.5 11.2 -63.1 109.4 9 11 A T E -E 292 0B 63 283,-3.0 283,-1.6 -2,-0.5 2,-0.1 -0.930 18.6-124.9-111.4 126.3 11.6 -62.7 113.2 10 12 A K E +E 291 0B 78 -2,-0.5 281,-0.3 281,-0.2 3,-0.1 -0.438 27.2 178.1 -67.1 137.3 9.2 -60.5 115.1 11 13 A V E - 0 0 26 279,-3.2 2,-0.3 1,-0.5 280,-0.2 0.809 60.5 -33.1-105.3 -52.6 10.9 -57.8 117.1 12 14 A T E -E 290 0B 14 278,-1.3 278,-2.7 37,-0.0 -1,-0.5 -0.958 59.0-164.3-161.3 168.5 8.1 -55.8 118.7 13 15 A E E +E 289 0B 78 -2,-0.3 276,-0.2 276,-0.2 275,-0.1 -0.842 52.2 75.2-149.9-173.5 4.6 -54.7 117.9 14 16 A D + 0 0 118 273,-0.7 275,-0.2 274,-0.6 274,-0.1 0.890 58.9 139.9 67.4 43.8 1.6 -52.5 118.7 15 17 A I > - 0 0 1 273,-2.6 3,-2.5 272,-0.2 -1,-0.2 -0.884 54.3-127.5-121.6 96.4 3.2 -49.4 117.1 16 18 A P T 3 S- 0 0 45 0, 0.0 19,-1.4 0, 0.0 20,-0.3 -0.178 88.8 -8.4 -46.4 114.1 0.6 -47.4 115.2 17 19 A G T 3 S- 0 0 0 17,-0.2 268,-0.1 18,-0.2 15,-0.1 0.716 90.0-148.0 67.1 22.9 1.8 -46.8 111.6 18 20 A A < + 0 0 0 -3,-2.5 2,-0.3 266,-0.2 15,-0.2 0.172 36.8 145.1 -25.0 120.0 5.2 -48.2 112.5 19 21 A E E +H 32 0C 7 13,-2.3 13,-2.7 -3,-0.1 54,-0.2 -0.864 29.2 46.1-152.0-178.3 7.7 -46.3 110.3 20 22 A G E - 0 0 1 52,-0.8 -1,-0.1 -2,-0.3 53,-0.1 0.788 58.6-165.3 45.0 49.9 11.2 -44.8 110.1 21 23 A P E + 0 0 3 0, 0.0 2,-0.3 0, 0.0 10,-0.2 -0.393 21.1 160.6 -64.5 137.5 13.4 -47.6 111.4 22 24 A V E -H 30 0C 0 8,-2.4 8,-3.2 250,-0.1 2,-0.4 -0.997 35.1-141.8-157.8 154.7 16.9 -46.3 112.2 23 25 A F E -H 29 0C 4 -2,-0.3 6,-0.2 6,-0.2 53,-0.1 -0.953 21.4-144.1-117.7 137.1 20.1 -46.9 114.2 24 26 A D > - 0 0 4 4,-2.2 3,-1.7 -2,-0.4 57,-0.1 -0.280 39.5 -84.6 -90.5-175.8 22.0 -44.1 115.9 25 27 A K T 3 S+ 0 0 92 1,-0.3 -1,-0.1 52,-0.2 56,-0.1 0.789 127.9 52.8 -59.0 -30.6 25.8 -43.9 116.2 26 28 A N T 3 S- 0 0 117 2,-0.1 -1,-0.3 1,-0.0 55,-0.0 0.407 120.3-104.8 -87.5 1.8 25.8 -46.0 119.4 27 29 A G S < S+ 0 0 39 -3,-1.7 2,-0.2 1,-0.3 -2,-0.1 0.562 71.0 146.8 87.9 6.5 23.9 -48.9 117.8 28 30 A D - 0 0 67 22,-0.0 -4,-2.2 1,-0.0 2,-0.4 -0.541 42.9-131.2 -76.6 146.4 20.6 -48.0 119.5 29 31 A F E +HI 23 49C 1 20,-0.6 20,-2.9 -6,-0.2 2,-0.3 -0.851 26.8 178.4-105.5 132.3 17.4 -48.7 117.5 30 32 A Y E +HI 22 48C 1 -8,-3.2 -8,-2.4 -2,-0.4 2,-0.3 -0.925 7.2 176.5-130.4 155.3 14.6 -46.3 117.0 31 33 A I E - I 0 47C 0 16,-2.1 16,-3.0 -2,-0.3 2,-0.3 -0.959 22.7-125.2-148.8 161.7 11.3 -46.2 115.1 32 34 A V E -HI 19 46C 0 -13,-2.7 -13,-2.3 -2,-0.3 14,-0.2 -0.836 3.0-153.9-116.1 153.7 8.4 -43.8 114.8 33 35 A A E > + I 0 45C 0 12,-3.2 12,-1.9 -2,-0.3 3,-0.9 -0.809 20.0 170.1-123.9 85.3 4.7 -44.1 115.4 34 36 A P T 3 S+ 0 0 15 0, 0.0 10,-0.3 0, 0.0 9,-0.2 0.700 70.6 59.5 -69.7 -22.3 3.0 -41.5 113.2 35 37 A E T 3 + 0 0 111 -19,-1.4 2,-0.4 8,-0.1 -18,-0.2 0.245 69.6 121.1 -95.4 13.9 -0.6 -42.8 113.7 36 38 A V < - 0 0 24 -3,-0.9 7,-2.2 -20,-0.3 2,-0.3 -0.631 44.6-173.1 -76.5 132.1 -0.8 -42.4 117.5 37 39 A E E -K 42 0D 123 -2,-0.4 2,-0.3 5,-0.2 -2,-0.1 -0.861 25.2-161.7-128.2 162.3 -3.7 -40.1 118.4 38 40 A V E > S-K 41 0D 76 3,-2.2 3,-0.9 -2,-0.3 -2,-0.0 -0.873 83.0 -18.0-145.1 104.8 -5.2 -38.4 121.4 39 41 A N T 3 S- 0 0 149 -2,-0.3 -1,-0.0 1,-0.2 0, 0.0 0.914 126.4 -53.0 65.2 43.9 -8.8 -37.1 121.1 40 42 A G T 3 S+ 0 0 59 1,-0.2 -1,-0.2 0, 0.0 -3,-0.0 0.492 116.9 110.1 72.5 2.2 -8.8 -37.1 117.3 41 43 A K E < S-K 38 0D 147 -3,-0.9 -3,-2.2 1,-0.1 -1,-0.2 -0.866 78.2 -93.2-113.4 147.6 -5.6 -35.1 117.1 42 44 A P E +K 37 0D 44 0, 0.0 26,-0.4 0, 0.0 -5,-0.2 -0.223 44.9 161.4 -55.4 138.6 -2.1 -36.2 116.0 43 45 A A + 0 0 11 -7,-2.2 27,-0.1 -9,-0.2 -6,-0.1 -0.156 18.5 176.9-153.0 41.2 0.2 -37.3 118.9 44 46 A G - 0 0 0 25,-2.1 25,-0.3 -10,-0.3 2,-0.3 -0.071 13.3-147.4 -52.2 151.4 2.9 -39.3 117.0 45 47 A E E -I 33 0C 38 -12,-1.9 -12,-3.2 26,-0.2 2,-0.5 -0.860 14.5-143.5-127.7 159.1 5.8 -40.7 118.9 46 48 A I E -IJ 32 60C 0 14,-2.6 13,-1.9 -2,-0.3 14,-1.6 -0.987 31.1-168.8-118.6 125.6 9.5 -41.5 118.5 47 49 A L E -IJ 31 58C 7 -16,-3.0 -16,-2.1 -2,-0.5 2,-0.4 -0.899 22.5-145.0-124.6 149.3 10.5 -44.7 120.3 48 50 A R E -IJ 30 57C 72 9,-2.8 9,-1.8 -2,-0.3 2,-0.5 -0.893 22.8-150.7-105.6 137.7 13.7 -46.5 121.2 49 51 A I E -IJ 29 56C 4 -20,-2.9 2,-0.8 -2,-0.4 -20,-0.6 -0.945 10.5-138.3-115.6 128.3 13.4 -50.3 121.1 50 52 A D > - 0 0 73 5,-2.4 4,-3.3 -2,-0.5 5,-0.4 -0.762 14.6-159.3 -82.0 114.0 15.5 -52.5 123.3 51 53 A L T 4 S+ 0 0 64 -2,-0.8 -1,-0.2 1,-0.2 -23,-0.0 0.751 85.9 61.1 -67.3 -23.5 16.5 -55.3 120.9 52 54 A K T 4 S+ 0 0 188 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.909 126.6 10.3 -69.7 -42.8 17.2 -57.7 123.7 53 55 A T T 4 S- 0 0 90 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.645 92.5-123.6-110.6 -23.1 13.6 -57.7 125.0 54 56 A G < + 0 0 10 -4,-3.3 2,-0.2 1,-0.3 -41,-0.2 0.584 56.8 156.2 85.9 9.7 11.6 -55.8 122.4 55 57 A K - 0 0 151 -5,-0.4 -5,-2.4 -43,-0.1 -1,-0.3 -0.518 34.5-134.9 -74.6 135.9 10.5 -53.4 125.1 56 58 A K E -J 49 0C 85 -2,-0.2 2,-0.4 -7,-0.2 -7,-0.2 -0.661 19.1-174.3 -96.3 145.7 9.4 -49.9 123.9 57 59 A T E -J 48 0C 79 -9,-1.8 -9,-2.8 -2,-0.3 2,-0.8 -0.965 20.5-140.4-139.0 117.9 10.4 -46.5 125.4 58 60 A V E +J 47 0C 70 -2,-0.4 -11,-0.2 -11,-0.2 3,-0.1 -0.694 25.2 172.6 -78.5 112.9 8.8 -43.3 124.1 59 61 A I E + 0 0 25 -13,-1.9 2,-0.3 -2,-0.8 -1,-0.2 0.675 64.9 17.7 -95.2 -18.1 11.7 -40.8 124.0 60 62 A C E -J 46 0C 6 -14,-1.6 -14,-2.6 2,-0.0 -1,-0.3 -0.960 44.3-173.4-158.9 135.6 9.8 -38.0 122.3 61 63 A K - 0 0 89 -2,-0.3 -16,-0.2 -16,-0.2 -17,-0.1 -0.807 35.4-143.8-126.0 83.4 6.3 -36.9 121.5 62 64 A P + 0 0 2 0, 0.0 7,-2.3 0, 0.0 2,-0.3 -0.210 30.6 159.7 -56.0 133.3 6.8 -33.9 119.2 63 65 A E E -L 68 0E 102 5,-0.3 2,-0.5 -20,-0.1 5,-0.2 -0.946 20.8-163.8-156.8 132.2 4.5 -31.0 119.5 64 66 A V E > S-L 67 0E 25 3,-2.5 3,-1.8 -2,-0.3 0, 0.0 -0.979 77.4 -20.8-123.9 117.1 4.9 -27.4 118.5 65 67 A N T 3 S- 0 0 132 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.880 130.2 -46.2 53.4 44.3 2.5 -24.8 119.9 66 68 A G T 3 S+ 0 0 66 1,-0.2 2,-0.7 -3,-0.0 -1,-0.3 0.426 113.7 120.2 81.8 -2.3 -0.1 -27.4 120.7 67 69 A Y E < -L 64 0E 103 -3,-1.8 -3,-2.5 71,-0.0 -1,-0.2 -0.869 55.4-143.7-101.8 113.9 0.2 -29.1 117.4 68 70 A G E -L 63 0E 15 -2,-0.7 -5,-0.3 -26,-0.4 -25,-0.2 -0.314 17.5-121.8 -72.3 155.6 1.2 -32.7 117.6 69 71 A G - 0 0 0 -7,-2.3 -25,-2.1 -25,-0.3 -1,-0.1 -0.467 7.2-146.3 -98.1 169.4 3.5 -34.3 115.0 70 72 A I - 0 0 24 -2,-0.1 18,-2.6 -27,-0.1 2,-0.2 -0.680 26.1-165.1-129.0 71.0 3.2 -37.2 112.7 71 73 A P E +M 87 0F 0 0, 0.0 16,-0.3 0, 0.0 -26,-0.2 -0.433 21.5 157.9 -62.3 128.9 6.9 -38.4 112.6 72 74 A A E + 0 0 5 14,-3.2 -52,-0.8 1,-0.3 2,-0.3 0.623 50.3 31.4-129.5 -23.4 7.4 -40.8 109.7 73 75 A G E -M 86 0F 0 13,-1.5 13,-2.9 -54,-0.2 -1,-0.3 -0.997 56.8-165.5-145.0 150.1 11.1 -41.0 108.7 74 76 A C E -M 85 0F 4 -2,-0.3 2,-0.3 11,-0.2 46,-0.2 -0.938 10.3-173.4-137.7 158.0 14.5 -40.8 110.2 75 77 A Q E -M 84 0F 8 9,-1.8 9,-2.8 -2,-0.3 2,-0.3 -0.988 27.1-124.5-145.5 141.4 18.2 -40.5 109.5 76 78 A a E -M 83 0F 3 -2,-0.3 228,-0.4 7,-0.2 2,-0.3 -0.668 24.3-130.8 -88.5 140.5 21.2 -40.7 111.9 77 79 A D - 0 0 13 5,-2.1 3,-0.3 -2,-0.3 -52,-0.2 -0.719 7.7-155.5 -94.5 144.5 23.6 -37.8 112.1 78 80 A R S S+ 0 0 36 -2,-0.3 -1,-0.1 1,-0.2 230,-0.1 0.941 88.5 52.0 -80.0 -53.1 27.4 -38.4 111.9 79 81 A D S S+ 0 0 90 1,-0.1 2,-0.2 228,-0.0 -1,-0.2 0.277 124.7 10.5 -72.5 11.8 28.7 -35.3 113.8 80 82 A A S S- 0 0 37 -3,-0.3 2,-2.2 2,-0.2 -3,-0.3 -0.851 84.4-100.4 178.9 146.5 26.5 -35.9 116.8 81 83 A N S S+ 0 0 33 -2,-0.2 16,-0.8 -5,-0.1 2,-0.3 -0.517 79.1 119.2 -80.4 77.7 24.3 -38.6 118.2 82 84 A Q E - 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