==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE,HYDROLASE 14-FEB-11 3QPU . COMPND 2 MOLECULE: 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BIPHOSPHATA . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.C.CAVALIER,S.G.KIM,D.NEAU,Y.H.LEE . 439 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22556.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 305 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 22 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 33.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.3 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 1 1 0 1 1 2 1 2 0 0 3 0 0 2 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 2 3 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 PARALLEL BRIDGES PER LADDER . 2 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 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 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 E 0 0 185 0, 0.0 13,-1.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 119.3 -26.2 100.0 8.4 2 4 A L E -A 13 0A 102 11,-0.3 2,-0.3 13,-0.0 9,-0.1 -0.838 360.0-153.0-120.6 154.0 -26.8 96.2 8.2 3 5 A T E -A 12 0A 68 9,-3.3 9,-2.6 -2,-0.3 2,-0.6 -0.953 19.9-124.2-125.0 146.9 -29.4 94.0 6.6 4 6 A Q E -A 11 0A 80 -2,-0.3 7,-0.2 7,-0.2 5,-0.1 -0.789 30.5-119.2 -87.7 119.5 -30.6 90.5 7.6 5 7 A S > - 0 0 20 5,-3.0 4,-0.6 -2,-0.6 -1,-0.0 -0.225 19.8-128.5 -54.4 145.9 -30.3 87.9 4.9 6 8 A R T 4 S+ 0 0 161 2,-0.1 343,-0.2 3,-0.1 -1,-0.1 0.932 97.6 31.7 -68.3 -44.2 -33.8 86.3 3.9 7 9 A V T 4 S+ 0 0 29 1,-0.1 342,-2.4 341,-0.1 -1,-0.1 0.995 131.1 23.9 -84.1 -64.6 -32.9 82.7 4.2 8 10 A Q T 4 S- 0 0 69 340,-0.2 -2,-0.1 2,-0.1 -1,-0.1 0.597 93.1-131.5 -79.2 -13.3 -30.3 82.2 7.0 9 11 A K < + 0 0 17 -4,-0.6 2,-0.4 1,-0.2 -3,-0.1 0.834 48.5 157.7 68.6 34.8 -31.2 85.4 8.8 10 12 A I - 0 0 72 1,-0.0 -5,-3.0 -7,-0.0 2,-0.4 -0.784 44.4-123.3 -96.0 129.8 -27.5 86.6 9.2 11 13 A W E +A 4 0A 156 -2,-0.4 -7,-0.2 -7,-0.2 -9,-0.0 -0.637 41.2 169.8 -72.8 123.6 -26.9 90.4 9.7 12 14 A V E -A 3 0A 58 -9,-2.6 -9,-3.3 -2,-0.4 2,-0.2 -0.951 40.6 -94.6-134.1 149.9 -24.6 91.6 6.9 13 15 A P E -A 2 0A 95 0, 0.0 -11,-0.3 0, 0.0 0, 0.0 -0.526 51.5 -97.0 -67.6 138.9 -23.5 95.1 5.8 14 16 A V - 0 0 44 -13,-1.9 2,-1.0 -2,-0.2 -12,-0.0 -0.278 35.3-142.0 -49.0 128.4 -25.7 96.6 3.0 15 17 A D + 0 0 113 -3,-0.1 2,-1.2 1,-0.1 -1,-0.1 -0.843 23.4 178.8-101.6 90.5 -23.7 95.9 -0.1 16 18 A H - 0 0 145 -2,-1.0 3,-0.1 0, 0.0 -1,-0.1 -0.635 23.1-157.8 -86.7 67.1 -24.3 99.1 -2.1 17 19 A R - 0 0 121 -2,-1.2 -2,-0.0 1,-0.1 -3,-0.0 -0.098 18.0-110.9 -35.5 133.3 -22.2 97.8 -4.9 18 20 A P - 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.218 45.2 -89.2 -64.1 171.6 -20.7 100.5 -7.1 19 21 A S S S+ 0 0 117 1,-0.2 -2,-0.1 -3,-0.1 0, 0.0 0.655 127.5 51.9 -67.4 -18.5 -22.3 100.4 -10.6 20 22 A L S S- 0 0 145 2,-0.0 -1,-0.2 0, 0.0 2,-0.1 -0.811 92.8-149.9-107.5 80.8 -19.6 97.9 -11.9 21 23 A P - 0 0 75 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.377 7.8-152.7 -61.7 124.4 -20.0 95.3 -9.1 22 24 A R - 0 0 236 -2,-0.1 2,-0.4 2,-0.0 -5,-0.0 -0.752 6.3-159.7 -90.3 143.7 -16.7 93.5 -8.5 23 25 A S - 0 0 100 -2,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.994 14.9-141.7-131.7 131.9 -16.7 89.9 -7.1 24 26 A C 0 0 145 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.579 360.0 360.0 -65.0 -22.8 -13.7 88.2 -5.3 25 27 A G 0 0 122 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 0.746 360.0 360.0 -25.7 360.0 -14.0 84.6 -6.7 26 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 27 33 A S 0 0 85 0, 0.0 112,-0.1 0, 0.0 111,-0.1 0.000 360.0 360.0 360.0 122.2 -5.6 76.2 3.3 28 34 A P - 0 0 26 0, 0.0 112,-3.0 0, 0.0 2,-0.4 -0.193 360.0-136.6 -72.5 159.6 -6.8 72.7 2.2 29 35 A T E -bc 114 140B 1 84,-2.4 86,-2.4 110,-0.2 2,-0.6 -0.966 8.5-156.3-123.6 137.4 -5.7 69.4 3.8 30 36 A V E -bc 115 141B 0 110,-2.8 112,-2.4 -2,-0.4 2,-0.6 -0.950 13.4-155.6-102.3 118.2 -4.6 66.0 2.4 31 37 A I E -bc 116 142B 0 84,-2.7 86,-3.1 -2,-0.6 2,-0.7 -0.832 11.1-155.5 -89.3 123.1 -5.1 63.3 5.0 32 38 A V E -bc 117 143B 0 110,-3.1 112,-2.2 -2,-0.6 2,-0.2 -0.912 3.2-149.0-106.9 111.1 -2.7 60.5 4.0 33 39 A M E - c 0 144B 0 84,-2.4 2,-0.4 -2,-0.7 86,-0.3 -0.538 17.4-171.0 -74.0 146.5 -3.7 57.0 5.2 34 40 A V E + c 0 145B 0 110,-2.2 112,-2.4 -2,-0.2 87,-0.2 -1.000 26.1 82.6-140.9 139.7 -0.8 54.6 6.0 35 41 A G - 0 0 0 85,-2.1 87,-0.1 -2,-0.4 112,-0.1 -0.655 68.4 -63.7 147.2 158.3 -0.7 50.9 6.8 36 42 A L S > S- 0 0 12 110,-0.3 3,-0.7 -2,-0.2 5,-0.3 -0.141 71.3 -78.2 -59.1 160.7 -0.7 47.3 5.8 37 43 A P T 3 S+ 0 0 8 0, 0.0 -1,-0.1 0, 0.0 150,-0.0 -0.317 114.9 25.5 -64.9 150.8 -3.8 45.9 3.9 38 44 A A T 3 S+ 0 0 2 -3,-0.1 119,-0.2 119,-0.1 120,-0.1 0.800 82.8 120.9 69.9 33.1 -6.8 45.1 6.0 39 45 A R S < S- 0 0 25 -3,-0.7 -1,-0.1 -4,-0.1 -3,-0.1 0.241 89.7 -97.4-108.5 11.4 -6.0 47.5 8.8 40 46 A G S > S+ 0 0 21 114,-0.1 4,-3.3 3,-0.1 5,-0.2 0.543 80.8 133.8 93.4 3.8 -9.1 49.6 8.6 41 47 A K H > S+ 0 0 14 -5,-0.3 4,-2.6 1,-0.2 5,-0.1 0.880 78.0 41.9 -57.4 -43.7 -7.7 52.4 6.5 42 48 A T H > S+ 0 0 16 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.892 113.6 52.2 -75.5 -38.9 -10.7 52.5 4.1 43 49 A Y H > S+ 0 0 61 2,-0.2 4,-2.0 1,-0.2 5,-0.3 0.947 113.8 44.7 -59.3 -46.4 -13.2 52.1 7.0 44 50 A I H X S+ 0 0 15 -4,-3.3 4,-2.5 1,-0.2 5,-0.3 0.913 112.1 52.7 -62.2 -44.7 -11.5 55.1 8.7 45 51 A S H X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.941 113.2 42.5 -59.3 -44.6 -11.4 57.1 5.5 46 52 A K H X S+ 0 0 77 -4,-2.7 4,-1.5 2,-0.2 -1,-0.2 0.904 117.3 45.0 -74.5 -36.0 -15.2 56.6 4.8 47 53 A K H X S+ 0 0 12 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.898 112.5 50.3 -78.4 -40.4 -16.4 57.2 8.3 48 54 A L H X S+ 0 0 1 -4,-2.5 4,-3.0 -5,-0.3 -1,-0.2 0.907 111.9 49.5 -57.3 -40.5 -14.2 60.2 8.9 49 55 A T H X S+ 0 0 15 -4,-1.9 4,-2.6 -5,-0.3 -2,-0.2 0.863 108.3 52.8 -68.0 -36.6 -15.4 61.7 5.7 50 56 A R H X S+ 0 0 20 -4,-1.5 4,-1.3 2,-0.2 -2,-0.2 0.922 113.0 44.7 -66.3 -47.1 -19.0 61.0 6.7 51 57 A Y H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 3,-0.3 0.940 114.5 48.5 -57.9 -52.4 -18.4 62.9 10.0 52 58 A L H <>S+ 0 0 0 -4,-3.0 5,-3.2 1,-0.2 -2,-0.2 0.905 112.8 46.2 -60.5 -44.7 -16.6 65.8 8.3 53 59 A N H ><5S+ 0 0 60 -4,-2.6 3,-1.0 3,-0.2 -1,-0.2 0.821 110.1 54.9 -65.2 -31.2 -19.1 66.4 5.6 54 60 A W H 3<5S+ 0 0 15 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.887 107.6 48.7 -78.3 -36.7 -22.0 66.2 8.2 55 61 A I T 3<5S- 0 0 19 -4,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.428 130.7 -98.1 -80.2 6.1 -20.5 68.9 10.3 56 62 A G T < 5S+ 0 0 53 -3,-1.0 -3,-0.2 1,-0.2 -2,-0.1 0.566 83.0 127.7 96.6 9.5 -20.1 71.0 7.1 57 63 A V < - 0 0 26 -5,-3.2 2,-0.3 -6,-0.2 -1,-0.2 -0.877 61.1-127.1 -94.0 109.5 -16.4 70.4 6.1 58 64 A P + 0 0 59 0, 0.0 55,-2.6 0, 0.0 56,-2.2 -0.428 42.6 167.5 -64.6 125.7 -16.4 69.2 2.3 59 65 A T E -d 114 0B 6 -2,-0.3 2,-0.4 54,-0.2 56,-0.2 -0.957 18.5-171.3-142.3 146.0 -14.4 66.0 2.2 60 66 A K E -d 115 0B 100 54,-1.7 56,-3.1 -2,-0.3 2,-0.4 -0.998 20.0-129.3-146.5 137.8 -13.9 63.4 -0.3 61 67 A V E -d 116 0B 34 -2,-0.4 2,-0.6 54,-0.2 56,-0.2 -0.760 11.7-164.4 -85.5 133.0 -12.2 59.9 -0.3 62 68 A F E -d 117 0B 6 54,-3.0 56,-2.7 -2,-0.4 2,-0.9 -0.949 11.6-169.0-116.0 96.0 -9.6 59.1 -3.0 63 69 A N E >> -d 118 0B 16 -2,-0.6 3,-1.8 1,-0.2 4,-1.1 -0.824 10.8-162.5 -94.7 102.9 -9.3 55.3 -2.8 64 70 A V H 3> S+ 0 0 16 54,-2.1 4,-2.7 -2,-0.9 3,-0.3 0.868 88.9 66.5 -57.2 -33.6 -6.3 54.3 -4.9 65 71 A G H 3> S+ 0 0 16 53,-0.5 4,-1.9 1,-0.2 -1,-0.3 0.823 99.8 51.0 -53.1 -34.5 -7.6 50.7 -4.9 66 72 A E H <> S+ 0 0 84 -3,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.826 107.4 51.7 -76.1 -31.6 -10.6 52.0 -6.9 67 73 A Y H X S+ 0 0 58 -4,-1.1 4,-1.2 -3,-0.3 -2,-0.2 0.904 110.1 50.3 -67.7 -37.3 -8.3 53.7 -9.4 68 74 A R H X S+ 0 0 20 -4,-2.7 4,-1.4 1,-0.2 5,-0.4 0.888 106.6 55.0 -66.0 -38.4 -6.5 50.3 -9.7 69 75 A R H X S+ 0 0 64 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.865 111.4 44.6 -62.6 -35.2 -9.9 48.5 -10.2 70 76 A E H < S+ 0 0 143 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.742 113.5 50.2 -77.2 -24.4 -10.7 50.7 -13.2 71 77 A A H < S+ 0 0 64 -4,-1.2 -2,-0.2 -3,-0.2 -1,-0.2 0.750 124.5 21.5 -89.2 -19.4 -7.3 50.5 -14.7 72 78 A V H < S- 0 0 60 -4,-1.4 -3,-0.2 -5,-0.1 -2,-0.2 0.758 84.0-152.0-119.7 -40.3 -6.8 46.8 -14.7 73 79 A K < + 0 0 155 -4,-1.2 -3,-0.1 -5,-0.4 -4,-0.0 0.676 64.4 32.6 56.9 133.6 -10.2 45.0 -14.5 74 80 A Q S S- 0 0 83 -5,-0.1 2,-0.4 1,-0.1 93,-0.1 0.986 71.3-141.2 37.5 95.7 -10.5 41.6 -13.0 75 81 A Y + 0 0 24 1,-0.2 -1,-0.1 91,-0.1 3,-0.1 -0.600 22.4 177.1 -60.1 126.3 -8.1 41.0 -10.2 76 82 A S - 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