==== 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 2GVV . COMPND 2 MOLECULE: PHOSPHOTRIESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LOLIGO VULGARIS; . AUTHOR J.C.H.CHEN,M.M.BLUM . 309 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13124.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 197 63.8 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 42.7 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 . 25 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 6.5 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 0 125 0, 0.0 258,-0.1 0, 0.0 257,-0.1 0.000 360.0 360.0 360.0 117.3 10.5 21.8 45.0 2 4 A P - 0 0 83 0, 0.0 258,-1.8 0, 0.0 2,-0.4 -0.256 360.0-160.2 -60.6 143.3 9.1 23.9 47.9 3 5 A V E -a 260 0A 67 256,-0.2 2,-0.3 258,-0.1 258,-0.2 -0.993 1.7-160.5-128.7 130.9 10.6 23.6 51.3 4 6 A I E -a 261 0A 54 256,-2.5 258,-2.8 -2,-0.4 255,-0.0 -0.819 8.6-154.0-111.1 152.6 9.0 24.6 54.6 5 7 A E - 0 0 157 -2,-0.3 258,-0.1 256,-0.2 256,-0.1 -0.735 20.9-176.0-125.1 80.5 10.7 25.3 57.9 6 8 A P - 0 0 33 0, 0.0 2,-0.5 0, 0.0 289,-0.1 -0.243 37.5 -90.8 -72.5 166.2 8.3 24.7 60.7 7 9 A L - 0 0 145 287,-0.1 2,-0.5 256,-0.0 287,-0.4 -0.683 40.8-154.4 -80.1 123.1 9.1 25.3 64.4 8 10 A F - 0 0 22 -2,-0.5 2,-0.5 285,-0.1 285,-0.2 -0.858 4.5-160.1-101.4 133.1 10.6 22.3 66.1 9 11 A T E -E 292 0B 62 283,-2.6 283,-1.6 -2,-0.5 2,-0.2 -0.954 19.4-124.5-115.8 125.4 10.2 21.8 69.8 10 12 A K E +E 291 0B 79 -2,-0.5 281,-0.3 281,-0.2 3,-0.1 -0.439 28.0 176.4 -66.6 134.5 12.6 19.5 71.8 11 13 A V E - 0 0 25 279,-3.3 2,-0.3 1,-0.5 280,-0.2 0.803 61.8 -27.6-104.9 -49.1 10.8 16.8 73.8 12 14 A T E -E 290 0B 13 278,-1.4 278,-2.9 37,-0.0 -1,-0.5 -0.971 59.1-164.9-161.4 165.1 13.6 14.7 75.2 13 15 A E E +E 289 0B 104 -2,-0.3 276,-0.2 276,-0.3 275,-0.1 -0.838 52.9 69.8-147.1-175.9 17.2 13.8 74.5 14 16 A D + 0 0 121 273,-0.8 275,-0.2 274,-0.5 -1,-0.1 0.920 60.0 138.0 65.5 47.3 20.1 11.4 75.2 15 17 A I > - 0 0 1 273,-2.4 3,-2.3 272,-0.2 -1,-0.2 -0.870 55.3-127.5-126.4 94.7 18.5 8.4 73.7 16 18 A P T 3 S- 0 0 44 0, 0.0 19,-1.5 0, 0.0 20,-0.3 -0.164 88.5 -8.7 -45.1 111.4 21.1 6.4 71.6 17 19 A G T 3 S- 0 0 0 17,-0.2 268,-0.1 16,-0.2 15,-0.1 0.763 88.8-147.4 67.8 27.2 19.8 5.8 68.1 18 20 A A < + 0 0 0 -3,-2.3 2,-0.2 266,-0.3 15,-0.2 0.104 36.6 149.4 -29.2 119.7 16.3 7.2 69.0 19 21 A E E +H 32 0C 8 13,-2.4 13,-2.6 -3,-0.1 54,-0.2 -0.837 29.6 40.7-148.5-178.6 13.8 5.2 66.9 20 22 A G E - 0 0 2 52,-0.8 -1,-0.1 -2,-0.2 53,-0.1 0.776 60.3-165.3 40.3 52.3 10.4 3.7 66.6 21 23 A P E + 0 0 3 0, 0.0 2,-0.3 0, 0.0 10,-0.2 -0.401 19.8 161.8 -65.4 139.2 8.2 6.5 68.1 22 24 A V E -H 30 0C 1 8,-2.3 8,-2.9 250,-0.1 2,-0.4 -0.995 34.2-141.3-158.1 153.5 4.7 5.2 68.9 23 25 A F E -H 29 0C 2 -2,-0.3 6,-0.2 6,-0.2 53,-0.2 -0.940 22.0-145.0-116.0 139.0 1.6 6.0 70.9 24 26 A D > - 0 0 6 4,-2.2 3,-1.4 -2,-0.4 57,-0.1 -0.277 38.2 -84.8 -93.1-172.9 -0.4 3.2 72.6 25 27 A K T 3 S+ 0 0 95 1,-0.3 -1,-0.1 52,-0.1 56,-0.0 0.691 127.6 52.7 -65.8 -19.7 -4.2 3.0 73.1 26 28 A N T 3 S- 0 0 121 2,-0.1 -1,-0.3 55,-0.0 55,-0.0 0.470 120.3-105.4 -94.1 -3.1 -4.1 5.1 76.3 27 29 A G S < S+ 0 0 41 -3,-1.4 2,-0.2 1,-0.3 -2,-0.1 0.526 70.9 146.5 92.6 5.4 -2.2 7.9 74.6 28 30 A D - 0 0 66 1,-0.1 -4,-2.2 22,-0.0 2,-0.4 -0.500 43.2-129.4 -76.6 148.5 1.2 7.1 76.2 29 31 A F E +HI 23 49C 1 20,-0.7 20,-2.8 -6,-0.2 2,-0.3 -0.843 26.6 179.0-105.7 132.7 4.3 7.7 74.2 30 32 A Y E +HI 22 48C 1 -8,-2.9 -8,-2.3 -2,-0.4 2,-0.3 -0.929 6.2 176.0-129.9 153.7 7.1 5.2 73.6 31 33 A I E - I 0 47C 0 16,-1.9 16,-3.0 -2,-0.3 2,-0.3 -0.951 22.3-126.9-147.1 162.5 10.4 5.2 71.7 32 34 A V E -HI 19 46C 0 -13,-2.6 -13,-2.4 -2,-0.3 14,-0.2 -0.867 2.2-152.6-117.9 153.1 13.2 2.7 71.4 33 35 A A E > + I 0 45C 0 12,-2.9 12,-1.7 -2,-0.3 3,-0.9 -0.822 19.5 171.1-122.7 86.6 17.0 3.0 71.9 34 36 A P T 3 S+ 0 0 16 0, 0.0 10,-0.2 0, 0.0 9,-0.2 0.745 71.2 59.2 -68.7 -24.5 18.7 0.4 69.7 35 37 A E T 3 + 0 0 108 -19,-1.5 2,-0.4 7,-0.1 -18,-0.2 0.273 68.7 121.3 -93.6 11.8 22.2 1.7 70.2 36 38 A V < - 0 0 27 -3,-0.9 7,-2.4 -20,-0.3 2,-0.3 -0.606 42.9-173.9 -75.1 130.4 22.5 1.3 74.0 37 39 A E E -K 42 0D 122 -2,-0.4 2,-0.4 5,-0.2 -2,-0.1 -0.956 20.8-160.3-130.3 149.2 25.4 -1.0 74.7 38 40 A V E > S-K 41 0D 71 3,-2.5 3,-1.9 -2,-0.3 -2,-0.0 -0.985 82.6 -16.0-128.7 118.0 26.9 -2.6 77.9 39 41 A N T 3 S- 0 0 142 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 0.835 128.2 -55.3 58.8 32.8 30.4 -3.9 77.8 40 42 A G T 3 S+ 0 0 56 1,-0.2 -1,-0.3 3,-0.0 3,-0.0 0.456 116.5 109.3 82.0 0.1 30.4 -3.7 74.0 41 43 A K E < S-K 38 0D 141 -3,-1.9 -3,-2.5 1,-0.1 -1,-0.2 -0.847 79.8 -89.3-111.9 148.5 27.3 -5.9 73.6 42 44 A P E +K 37 0D 46 0, 0.0 26,-0.3 0, 0.0 -5,-0.2 -0.217 46.3 162.5 -53.6 136.0 23.8 -4.9 72.5 43 45 A A + 0 0 10 -7,-2.4 27,-0.1 -9,-0.2 -6,-0.1 -0.228 18.5 179.1-150.3 46.0 21.6 -3.8 75.4 44 46 A G - 0 0 0 25,-2.3 25,-0.3 -10,-0.2 2,-0.3 -0.099 10.7-150.7 -54.6 150.9 18.8 -2.0 73.6 45 47 A E E -I 33 0C 40 -12,-1.7 -12,-2.9 16,-0.2 2,-0.5 -0.877 15.1-143.7-129.2 158.4 15.9 -0.5 75.5 46 48 A I E -IJ 32 60C 0 14,-2.5 13,-2.2 -2,-0.3 14,-1.4 -0.986 30.9-166.7-118.1 125.4 12.2 0.4 75.1 47 49 A L E -IJ 31 58C 6 -16,-3.0 -16,-1.9 -2,-0.5 2,-0.4 -0.855 22.4-145.0-121.7 152.3 11.2 3.6 76.9 48 50 A R E -IJ 30 57C 76 9,-2.8 9,-1.7 -2,-0.3 2,-0.4 -0.927 24.1-153.0-107.7 134.7 8.1 5.4 78.0 49 51 A I E -IJ 29 56C 4 -20,-2.8 2,-0.8 -2,-0.4 -20,-0.7 -0.925 12.3-137.1-114.5 134.4 8.3 9.2 77.8 50 52 A D > - 0 0 73 5,-2.4 4,-3.2 -2,-0.4 5,-0.3 -0.796 13.7-159.9 -86.4 113.8 6.4 11.7 79.9 51 53 A L T 4 S+ 0 0 64 -2,-0.8 -1,-0.2 1,-0.2 -23,-0.0 0.695 86.8 59.5 -68.9 -17.7 5.4 14.3 77.4 52 54 A K T 4 S+ 0 0 189 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.888 127.3 9.7 -77.5 -40.0 4.8 16.8 80.2 53 55 A T T 4 S- 0 0 87 -3,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.611 92.0-123.5-114.5 -20.3 8.3 16.7 81.6 54 56 A G < + 0 0 11 -4,-3.2 -41,-0.2 1,-0.3 -3,-0.1 0.538 56.4 155.3 85.6 5.8 10.3 14.8 79.1 55 57 A K - 0 0 150 -5,-0.3 -5,-2.4 -43,-0.1 2,-0.3 -0.417 33.8-136.8 -69.6 142.4 11.4 12.3 81.8 56 58 A K E -J 49 0C 76 -7,-0.2 2,-0.4 -2,-0.1 -7,-0.2 -0.765 18.5-173.9-106.0 146.6 12.3 8.8 80.6 57 59 A T E -J 48 0C 83 -9,-1.7 -9,-2.8 -2,-0.3 2,-0.7 -0.977 19.8-140.4-138.9 121.9 11.5 5.4 82.0 58 60 A V E +J 47 0C 70 -2,-0.4 -11,-0.2 -11,-0.2 3,-0.1 -0.733 24.4 172.4 -83.0 117.2 12.9 2.1 80.7 59 61 A I E + 0 0 30 -13,-2.2 2,-0.3 -2,-0.7 -1,-0.2 0.702 64.8 18.3 -97.6 -21.9 10.1 -0.4 80.7 60 62 A C E -J 46 0C 6 -14,-1.4 -14,-2.5 2,-0.0 -1,-0.3 -0.981 43.2-174.3-155.1 137.4 12.0 -3.2 78.9 61 63 A K - 0 0 84 -2,-0.3 -16,-0.2 -16,-0.2 -17,-0.1 -0.797 36.8-143.2-128.0 81.8 15.5 -4.2 78.0 62 64 A P + 0 0 2 0, 0.0 7,-2.1 0, 0.0 2,-0.3 -0.166 30.1 161.5 -53.9 135.3 14.9 -7.3 75.8 63 65 A E E -L 68 0E 98 5,-0.2 2,-0.5 -20,-0.1 5,-0.2 -0.959 20.3-163.7-156.2 136.3 17.2 -10.3 76.0 64 66 A V E > S-L 67 0E 23 3,-2.2 3,-1.5 -2,-0.3 74,-0.0 -0.972 78.1 -20.3-128.3 116.0 16.9 -13.9 74.9 65 67 A N T 3 S- 0 0 131 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.861 130.2 -47.3 56.8 39.0 19.2 -16.5 76.2 66 68 A G T 3 S+ 0 0 69 1,-0.2 2,-0.7 0, 0.0 -1,-0.3 0.462 112.1 121.5 84.6 0.3 21.8 -13.9 77.2 67 69 A Y E < -L 64 0E 102 -3,-1.5 -3,-2.2 71,-0.0 -1,-0.2 -0.881 55.2-142.3-102.1 114.8 21.6 -12.1 73.8 68 70 A G E -L 63 0E 17 -2,-0.7 -5,-0.2 -26,-0.3 -25,-0.2 -0.327 19.0-122.1 -72.1 155.8 20.6 -8.4 74.1 69 71 A G - 0 0 0 -7,-2.1 -25,-2.3 -25,-0.3 -1,-0.1 -0.454 8.1-145.9 -98.8 170.6 18.3 -6.9 71.6 70 72 A I - 0 0 22 -2,-0.1 18,-2.7 -27,-0.1 2,-0.2 -0.682 25.8-164.4-130.2 72.7 18.5 -3.9 69.2 71 73 A P E +M 87 0F 0 0, 0.0 16,-0.3 0, 0.0 -26,-0.2 -0.442 21.3 158.7 -62.9 129.7 14.8 -2.7 69.2 72 74 A A E + 0 0 3 14,-3.2 -52,-0.8 1,-0.3 2,-0.3 0.619 49.5 29.8-130.4 -20.9 14.2 -0.4 66.2 73 75 A G E -M 86 0F 0 13,-1.5 13,-2.5 -54,-0.2 2,-0.3 -0.996 56.6-164.1-147.0 152.2 10.6 -0.1 65.2 74 76 A C E +M 85 0F 4 -2,-0.3 2,-0.3 11,-0.2 46,-0.2 -0.955 12.9 178.5-140.1 157.0 7.1 -0.3 66.8 75 77 A Q E -M 84 0F 10 9,-1.6 9,-3.2 -2,-0.3 2,-0.4 -0.969 27.9-129.6-149.0 140.1 3.4 -0.6 66.1 76 78 A C E -M 83 0F 2 -2,-0.3 228,-0.4 7,-0.2 7,-0.2 -0.779 25.0-124.8 -95.3 140.4 0.6 -0.7 68.7 77 79 A D - 0 0 19 5,-2.7 -52,-0.1 -2,-0.4 5,-0.1 -0.333 9.4-143.9 -77.6 163.8 -1.9 -3.5 68.5 78 80 A R S S+ 0 0 36 3,-0.1 -1,-0.1 1,-0.1 230,-0.1 0.910 91.5 42.9 -94.0 -56.7 -5.7 -2.9 68.3 79 81 A D S S+ 0 0 96 1,-0.1 2,-0.3 228,-0.1 -1,-0.1 0.607 125.6 27.8 -69.6 -13.0 -7.5 -5.6 70.3 80 82 A A S S- 0 0 39 2,-0.1 2,-1.8 0, 0.0 -3,-0.2 -0.989 85.0-114.8-146.3 146.4 -5.0 -5.4 73.1 81 83 A N S S+ 0 0 36 -2,-0.3 16,-0.6 -5,-0.1 2,-0.3 -0.597 72.4 120.4 -84.5 80.7 -2.8 -2.6 74.4 82 84 A Q E - 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