==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-AUG-07 2QVR . COMPND 2 MOLECULE: FRUCTOSE-1,6-BISPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.K.HINES,H.J.FROMM,R.B.HONZATKO . 332 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14102.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 62 18.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 15 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 24.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.4 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 1 0 0 1 2 0 1 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 0 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 PARALLEL BRIDGES PER LADDER . 4 2 1 2 0 2 2 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 . 1 0 0 0 1 0 0 1 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 X 0 0 165 0, 0.0 2,-0.4 0, 0.0 189,-0.1 0.000 360.0 360.0 360.0 141.0 -14.5 12.4 2.6 2 2 A K - 0 0 58 187,-0.3 187,-3.1 4,-0.0 2,-0.0 -0.975 360.0-139.5-140.1 123.1 -12.4 15.5 3.4 3 3 A T B > -A 188 0A 29 -2,-0.4 4,-1.9 185,-0.2 185,-0.2 -0.284 26.6-109.9 -78.4 166.5 -8.6 15.6 3.4 4 4 A L H > S+ 0 0 0 183,-2.1 4,-2.2 1,-0.2 5,-0.2 0.915 119.5 53.3 -60.1 -44.4 -6.4 17.4 5.9 5 5 A G H > S+ 0 0 20 182,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.895 110.0 46.2 -59.2 -41.7 -5.4 19.8 3.2 6 6 A E H > S+ 0 0 108 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.823 109.8 54.9 -71.3 -31.0 -9.0 20.7 2.3 7 7 A F H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.906 106.5 50.7 -67.5 -42.7 -9.9 21.0 6.0 8 8 A I H < S+ 0 0 3 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.893 111.7 47.7 -61.7 -41.2 -7.2 23.6 6.4 9 9 A V H < S+ 0 0 83 -4,-1.6 3,-0.4 -5,-0.2 -2,-0.2 0.941 112.8 50.6 -63.4 -47.0 -8.4 25.5 3.4 10 10 A E H < S+ 0 0 88 -4,-2.5 2,-2.3 1,-0.2 3,-0.3 0.936 101.8 59.2 -56.0 -55.6 -12.0 25.3 4.8 11 11 A K >< + 0 0 58 -4,-2.9 3,-1.5 1,-0.2 -1,-0.2 -0.302 62.6 151.6 -77.4 58.0 -11.3 26.6 8.3 12 12 A Q T 3 + 0 0 121 -2,-2.3 5,-0.3 -3,-0.4 6,-0.3 0.860 63.9 63.7 -55.8 -40.9 -9.9 29.9 7.2 13 13 A H T 3 S+ 0 0 164 -3,-0.3 3,-0.3 4,-0.1 -1,-0.3 0.696 92.9 79.0 -60.5 -20.2 -10.9 31.7 10.4 14 14 A E S X S+ 0 0 23 -3,-1.5 3,-1.3 1,-0.2 4,-0.3 -0.239 76.6 43.0 -82.4 175.2 -8.6 29.5 12.5 15 15 A F T 3 S- 0 0 12 156,-0.3 -1,-0.2 1,-0.3 157,-0.1 0.831 123.5 -76.9 62.6 26.9 -4.8 29.9 12.8 16 16 A S T 3 S- 0 0 109 -3,-0.3 -1,-0.3 155,-0.2 -2,-0.1 0.881 91.4 -60.5 51.7 33.6 -5.0 33.7 13.2 17 17 A H S < S+ 0 0 129 -3,-1.3 -2,-0.1 -5,-0.3 -4,-0.1 0.866 99.7 117.9 55.0 90.1 -5.6 33.9 9.5 18 18 A A >> + 0 0 25 -4,-0.3 3,-2.3 -6,-0.3 4,-2.2 -0.115 24.9 163.7-160.8 32.4 -2.6 32.5 7.5 19 19 A T H 3> S+ 0 0 35 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.917 75.3 52.2 -31.2 -51.5 -4.2 29.6 5.7 20 20 A G H 3> S+ 0 0 59 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.777 111.8 46.4 -60.9 -27.9 -1.3 29.3 3.2 21 21 A E H <> S+ 0 0 52 -3,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.848 109.5 52.3 -83.1 -36.5 1.3 29.1 6.0 22 22 A L H X S+ 0 0 6 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.882 108.8 53.4 -65.3 -36.9 -0.7 26.6 8.0 23 23 A T H X S+ 0 0 45 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.945 110.0 45.5 -62.3 -49.8 -0.8 24.4 4.9 24 24 A A H X S+ 0 0 22 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.924 113.3 51.1 -60.6 -45.3 2.9 24.5 4.3 25 25 A L H X S+ 0 0 1 -4,-2.5 4,-1.7 1,-0.2 3,-0.2 0.949 115.9 38.9 -58.2 -53.2 3.6 23.8 8.0 26 26 A L H X S+ 0 0 2 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.772 109.2 63.1 -71.4 -23.1 1.4 20.8 8.2 27 27 A S H X S+ 0 0 23 -4,-2.1 4,-1.7 -5,-0.3 -1,-0.2 0.900 105.6 46.0 -66.2 -38.2 2.4 19.7 4.8 28 28 A A H X S+ 0 0 1 -4,-1.8 4,-2.3 -3,-0.2 -2,-0.2 0.899 111.8 53.6 -68.6 -40.3 6.0 19.3 6.1 29 29 A I H X S+ 0 0 6 -4,-1.7 4,-3.0 1,-0.2 -2,-0.2 0.967 110.9 42.6 -59.8 -55.9 4.6 17.5 9.2 30 30 A K H X S+ 0 0 39 -4,-2.9 4,-3.2 2,-0.2 -1,-0.2 0.846 111.1 56.3 -63.6 -31.6 2.6 14.9 7.3 31 31 A L H X S+ 0 0 68 -4,-1.7 4,-2.5 -5,-0.2 -1,-0.2 0.956 112.7 41.9 -62.2 -47.6 5.5 14.4 4.8 32 32 A G H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.900 113.7 53.2 -64.3 -39.7 7.7 13.6 7.8 33 33 A A H X S+ 0 0 0 -4,-3.0 4,-3.0 1,-0.2 -2,-0.2 0.916 110.2 47.7 -60.7 -45.1 4.9 11.5 9.3 34 34 A K H X S+ 0 0 74 -4,-3.2 4,-2.2 2,-0.2 -2,-0.2 0.926 111.5 49.9 -61.6 -47.3 4.6 9.5 6.1 35 35 A I H X S+ 0 0 52 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.925 115.2 43.5 -59.3 -44.4 8.4 8.9 5.9 36 36 A I H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 3,-0.2 0.926 109.8 56.2 -67.7 -43.3 8.5 7.8 9.5 37 37 A H H X S+ 0 0 30 -4,-3.0 4,-2.9 1,-0.2 -1,-0.2 0.881 101.7 59.1 -54.6 -41.5 5.4 5.7 9.2 38 38 A R H < S+ 0 0 167 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.920 109.7 40.4 -56.7 -48.9 7.0 3.8 6.3 39 39 A D H >< S+ 0 0 26 -4,-1.2 3,-1.1 -3,-0.2 7,-0.2 0.932 117.3 48.1 -67.6 -44.7 10.0 2.6 8.3 40 40 A I H >< S+ 0 0 26 -4,-2.4 3,-1.8 1,-0.3 4,-0.2 0.870 103.2 61.3 -62.3 -40.2 8.0 1.8 11.4 41 41 A N T 3< S+ 0 0 115 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.644 119.2 29.1 -63.0 -15.3 5.3 -0.1 9.5 42 42 A K T X> S+ 0 0 100 -3,-1.1 4,-1.5 -4,-0.4 3,-1.5 -0.035 80.2 140.1-132.8 27.9 8.1 -2.5 8.4 43 43 A A T <4>S+ 0 0 14 -3,-1.8 5,-0.5 1,-0.3 3,-0.4 0.820 70.6 52.0 -41.0 -48.8 10.4 -2.1 11.5 44 44 A G T 345S+ 0 0 72 1,-0.2 -1,-0.3 -4,-0.2 -4,-0.1 0.808 115.1 41.0 -63.7 -30.6 11.3 -5.8 11.7 45 45 A L T <45S+ 0 0 157 -3,-1.5 2,-0.4 -6,-0.2 -1,-0.2 0.583 108.8 71.7 -92.9 -12.3 12.3 -6.0 8.0 46 46 A V T ><5S- 0 0 39 -4,-1.5 2,-2.1 -3,-0.4 3,-0.6 -0.862 86.7-121.0-108.2 140.3 14.1 -2.6 8.1 47 47 A D T 3 5S+ 0 0 147 -2,-0.4 -3,-0.1 1,-0.2 -4,-0.1 -0.504 82.0 102.9 -78.0 76.0 17.4 -2.0 9.9 48 48 A I T 3 < + 0 0 3 -2,-2.1 17,-0.8 -5,-0.5 2,-0.3 0.406 48.7 100.7-133.8 -6.7 16.1 0.8 12.2 49 49 A L < + 0 0 67 -3,-0.6 2,-0.1 -6,-0.3 14,-0.0 -0.673 65.3 36.5 -88.1 137.5 15.7 -1.0 15.6 50 50 A G S S- 0 0 23 -2,-0.3 14,-3.3 -3,-0.0 15,-0.3 -0.398 96.1 -38.6 113.9 168.3 18.3 -0.6 18.3 51 51 A A E -I 63 0B 61 12,-0.3 12,-0.3 1,-0.1 11,-0.1 -0.398 39.7-145.6 -67.9 140.1 20.6 2.1 19.7 52 52 A S E - 0 0 44 10,-1.8 11,-0.1 2,-0.2 -1,-0.1 0.607 46.6-107.6 -81.1 -12.4 22.2 4.4 17.2 53 53 A G E S+ 0 0 77 9,-0.6 2,-0.3 1,-0.4 10,-0.1 0.581 86.8 99.7 96.1 12.5 25.4 4.6 19.3 54 54 A A E - 0 0 50 8,-0.3 8,-1.6 6,-0.0 2,-0.5 -0.874 66.5-125.2-127.8 160.7 24.9 8.1 20.5 55 55 A E E -I 61 0B 139 -2,-0.3 6,-0.2 6,-0.2 4,-0.1 -0.928 28.2-117.4-112.4 128.8 23.5 9.7 23.8 56 56 A N > - 0 0 6 4,-3.7 3,-1.6 -2,-0.5 34,-0.1 0.023 23.0-116.5 -52.5 162.6 20.7 12.2 23.8 57 57 A V T 3 S+ 0 0 47 32,-0.4 -1,-0.2 1,-0.3 33,-0.1 0.511 122.3 67.3 -77.3 -4.4 21.2 15.7 25.1 58 58 A Q T 3 S- 0 0 17 31,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.424 123.8-111.2 -90.3 -4.1 18.7 14.3 27.5 59 59 A G S < S+ 0 0 47 -3,-1.6 2,-0.3 1,-0.3 -2,-0.2 0.790 77.1 133.6 75.8 28.3 21.4 12.0 28.7 60 60 A E - 0 0 46 0, 0.0 -4,-3.7 0, 0.0 2,-1.1 -0.790 68.6-104.2-113.2 154.6 19.5 9.1 27.2 61 61 A V E -I 55 0B 105 -2,-0.3 -6,-0.2 -6,-0.2 2,-0.0 -0.652 45.5-138.2 -78.6 101.0 20.6 6.1 25.0 62 62 A Q E - 0 0 12 -8,-1.6 -10,-1.8 -2,-1.1 -9,-0.6 -0.272 9.0-141.5 -63.2 141.9 19.3 7.2 21.6 63 63 A Q E > -I 51 0B 29 -12,-0.3 4,-1.3 -11,-0.1 -12,-0.3 -0.677 23.5-113.0 -99.7 158.0 17.6 4.7 19.3 64 64 A K H > S+ 0 0 88 -14,-3.3 4,-2.3 -2,-0.2 3,-0.2 0.892 116.0 52.0 -59.0 -43.5 18.1 4.6 15.5 65 65 A L H > S+ 0 0 1 -17,-0.8 4,-3.5 -15,-0.3 5,-0.3 0.885 101.5 62.8 -61.6 -37.7 14.5 5.6 14.7 66 66 A D H > S+ 0 0 4 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.930 109.9 39.0 -49.9 -51.4 14.9 8.6 17.0 67 67 A L H X S+ 0 0 69 -4,-1.3 4,-2.8 2,-0.2 5,-0.2 0.894 114.7 52.9 -67.4 -44.0 17.6 10.0 14.8 68 68 A F H X S+ 0 0 38 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.962 111.6 46.3 -55.9 -53.8 16.0 9.0 11.6 69 69 A A H X S+ 0 0 0 -4,-3.5 4,-2.6 1,-0.2 5,-0.3 0.918 112.0 52.8 -55.4 -46.2 12.7 10.8 12.6 70 70 A N H X S+ 0 0 1 -4,-2.1 4,-2.2 -5,-0.3 -2,-0.2 0.943 111.9 42.9 -55.5 -54.6 14.7 13.8 13.8 71 71 A E H X S+ 0 0 83 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.892 114.9 49.9 -61.6 -42.8 16.6 14.3 10.5 72 72 A K H X S+ 0 0 81 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.930 113.4 43.6 -64.1 -48.5 13.5 13.6 8.3 73 73 A L H X S+ 0 0 5 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.898 114.7 51.9 -63.7 -39.5 11.3 16.1 10.1 74 74 A K H X S+ 0 0 32 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.931 112.8 43.1 -63.2 -47.5 14.1 18.6 10.2 75 75 A A H X S+ 0 0 62 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.877 112.9 53.8 -66.8 -37.2 14.7 18.4 6.4 76 76 A A H X S+ 0 0 6 -4,-2.5 4,-0.6 -5,-0.2 -2,-0.2 0.897 111.1 45.6 -64.5 -39.6 11.0 18.4 5.7 77 77 A L H ><>S+ 0 0 3 -4,-2.3 5,-0.7 1,-0.2 3,-0.7 0.888 112.3 50.2 -71.7 -38.6 10.6 21.6 7.7 78 78 A K H ><5S+ 0 0 101 -4,-2.2 3,-1.0 1,-0.2 -2,-0.2 0.867 106.1 57.7 -67.4 -34.6 13.6 23.3 6.1 79 79 A A H 3<5S+ 0 0 81 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.634 95.0 62.9 -72.9 -14.8 12.3 22.4 2.6 80 80 A R T <<5S- 0 0 98 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.2 0.597 94.8-140.7 -83.8 -11.2 9.0 24.2 3.0 81 81 A D T < 5S+ 0 0 89 -3,-1.0 -3,-0.1 -4,-0.4 -2,-0.1 0.891 75.8 103.1 54.4 41.5 10.9 27.5 3.4 82 82 A I < + 0 0 15 -5,-0.7 23,-0.6 1,-0.1 22,-0.5 0.499 61.9 66.6-127.6 -14.0 8.3 28.5 6.1 83 83 A V E -b 105 0A 1 -6,-0.6 23,-0.2 20,-0.1 20,-0.2 -0.919 59.5-154.7-115.2 139.1 10.2 28.0 9.4 84 84 A A E S- 0 0 1 21,-2.8 13,-2.2 -2,-0.4 2,-0.3 0.735 73.9 -35.8 -81.3 -24.7 13.3 30.0 10.5 85 85 A G E -bC 106 96A 0 20,-0.7 22,-1.5 11,-0.3 2,-0.3 -0.969 56.4-124.5 177.4 170.3 14.5 27.2 12.7 86 86 A I E -bC 107 95A 0 9,-2.2 9,-3.9 -2,-0.3 2,-0.4 -0.888 1.7-150.0-134.2 163.9 13.7 24.3 15.0 87 87 A A E -b 108 0A 1 20,-2.0 22,-2.2 -2,-0.3 2,-0.3 -0.977 25.1-172.2-127.9 139.4 14.4 23.0 18.5 88 88 A S E > -b 109 0A 0 -2,-0.4 3,-1.7 5,-0.3 22,-0.2 -0.992 36.7-128.5-140.0 148.2 14.3 19.3 19.0 89 89 A E T 3 S+ 0 0 8 20,-2.1 -32,-0.4 -2,-0.3 -31,-0.2 0.679 114.7 51.8 -64.7 -17.6 14.4 16.9 21.9 90 90 A E T 3 S+ 0 0 17 19,-0.2 2,-0.3 -34,-0.1 -1,-0.3 0.410 99.5 80.1 -97.9 -1.1 17.3 15.1 20.1 91 91 A E < - 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