==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-NOV-06 2NZT . COMPND 2 MOLECULE: HEXOKINASE-2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.M.RABEH,H.ZHU,L.NEDYALKOVA,W.TEMPEL,G.WASNEY,R.LANDRY, . 1738 13 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 66145.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1300 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 117 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 146 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 5 0.3 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 . 110 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 185 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 651 37.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 1.1 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 8 5 0 3 4 2 7 3 6 0 3 2 0 1 3 5 0 0 0 0 0 0 2 0 0 0 4 RESIDUES PER ALPHA HELIX . 4 0 0 2 10 1 3 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 6 0 2 8 4 4 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 . 0 4 0 4 4 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 17 A D 0 0 118 0, 0.0 4,-0.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -86.3 -0.0 40.8 26.5 2 18 A Q >> + 0 0 19 2,-0.2 4,-2.1 1,-0.1 3,-1.3 0.891 360.0 58.2 -69.6 -45.7 -0.1 38.4 23.4 3 19 A V H 3> S+ 0 0 50 1,-0.3 4,-2.0 2,-0.2 3,-0.2 0.942 105.1 47.8 -48.4 -54.6 0.1 35.5 25.7 4 20 A Q H 34 S+ 0 0 123 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.539 111.7 49.5 -75.7 -5.0 -3.1 36.4 27.6 5 21 A K H <> S+ 0 0 111 -3,-1.3 4,-1.7 -4,-0.3 -1,-0.2 0.768 106.9 53.4 -99.0 -31.9 -5.1 37.0 24.4 6 22 A V H X S+ 0 0 0 -4,-2.1 4,-3.6 -3,-0.2 -2,-0.2 0.929 106.8 54.9 -57.5 -49.1 -4.1 33.7 22.8 7 23 A D H < S+ 0 0 22 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.759 110.4 45.2 -53.3 -30.7 -5.3 32.0 26.0 8 24 A Q H >4 S+ 0 0 142 -4,-0.2 3,-0.6 -3,-0.2 -1,-0.2 0.748 115.2 47.8 -85.3 -30.3 -8.7 33.7 25.5 9 25 A Y H 3< S+ 0 0 67 -4,-1.7 3,-0.3 1,-0.2 -2,-0.2 0.927 121.5 34.7 -69.9 -49.8 -8.8 32.8 21.9 10 26 A L T >< S+ 0 0 5 -4,-3.6 3,-1.2 1,-0.2 -1,-0.2 -0.285 78.8 133.2-100.7 44.6 -7.8 29.2 22.5 11 27 A Y G X + 0 0 149 -3,-0.6 3,-1.0 1,-0.3 -1,-0.2 0.833 69.5 54.5 -64.6 -34.8 -9.8 29.0 25.8 12 28 A H G 3 S+ 0 0 136 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.435 102.0 57.3 -83.8 -4.4 -11.4 25.7 24.9 13 29 A M G < S+ 0 0 5 -3,-1.2 2,-0.6 -6,-0.1 -1,-0.2 0.222 91.6 81.5-101.8 9.4 -8.0 24.0 24.2 14 30 A R S < S- 0 0 102 -3,-1.0 2,-0.5 -7,-0.1 -1,-0.1 -0.943 75.6-158.3-119.9 106.6 -7.0 24.8 27.8 15 31 A L - 0 0 33 -2,-0.6 -3,-0.1 1,-0.0 -2,-0.0 -0.761 6.1-141.2-109.5 123.5 -8.5 22.2 29.9 16 32 A S > - 0 0 59 -2,-0.5 4,-2.3 1,-0.1 3,-0.1 -0.241 30.0-111.4 -69.7 159.7 -9.2 22.3 33.6 17 33 A D H > S+ 0 0 60 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.855 119.4 61.5 -51.7 -36.5 -8.7 19.5 36.0 18 34 A E H > S+ 0 0 161 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.909 109.5 36.9 -61.4 -46.2 -12.6 19.5 36.2 19 35 A T H > S+ 0 0 47 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.812 114.6 57.0 -75.6 -30.6 -13.0 18.7 32.5 20 36 A L H X S+ 0 0 1 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.948 108.1 47.2 -63.1 -46.0 -10.0 16.4 32.6 21 37 A L H X S+ 0 0 80 -4,-3.0 4,-1.3 1,-0.2 -1,-0.2 0.786 110.8 52.6 -63.8 -30.3 -11.6 14.3 35.4 22 38 A E H X S+ 0 0 93 -4,-1.1 4,-1.9 -5,-0.2 -1,-0.2 0.933 106.8 52.5 -67.6 -48.1 -14.8 14.3 33.4 23 39 A I H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.889 109.3 49.5 -53.1 -44.0 -13.0 13.0 30.3 24 40 A S H X S+ 0 0 13 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.810 106.7 54.7 -72.3 -29.8 -11.4 10.1 32.4 25 41 A K H X S+ 0 0 75 -4,-1.3 4,-1.5 2,-0.2 -1,-0.2 0.900 110.6 47.4 -64.0 -39.7 -14.9 9.2 33.8 26 42 A R H X S+ 0 0 49 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.889 109.5 53.1 -66.3 -40.0 -16.1 8.8 30.2 27 43 A F H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 3,-0.3 0.933 105.3 53.9 -63.7 -47.9 -13.1 6.8 29.2 28 44 A R H X S+ 0 0 41 -4,-2.1 4,-1.9 1,-0.3 -1,-0.2 0.872 106.7 51.6 -47.1 -46.0 -13.7 4.4 32.0 29 45 A K H X S+ 0 0 76 -4,-1.5 4,-1.9 1,-0.2 -1,-0.3 0.861 109.8 50.8 -64.1 -33.1 -17.2 3.9 30.8 30 46 A E H X S+ 0 0 20 -4,-1.6 4,-1.9 -3,-0.3 -2,-0.2 0.821 105.2 56.1 -73.2 -34.4 -15.7 3.2 27.3 31 47 A M H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.934 110.3 44.4 -57.9 -49.1 -13.3 0.7 28.7 32 48 A E H X S+ 0 0 89 -4,-1.9 4,-1.7 1,-0.2 3,-0.2 0.932 111.9 52.2 -64.7 -47.0 -16.1 -1.4 30.3 33 49 A K H < S+ 0 0 42 -4,-1.9 -1,-0.2 1,-0.2 10,-0.2 0.872 110.8 49.2 -52.1 -40.8 -18.2 -1.1 27.1 34 50 A G H < S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.785 113.0 45.9 -72.4 -30.7 -15.3 -2.4 25.1 35 51 A L H < S+ 0 0 7 -4,-1.5 189,-1.2 -3,-0.2 190,-0.4 0.683 90.4 99.1 -84.9 -24.9 -14.6 -5.3 27.4 36 52 A G S X S- 0 0 14 -4,-1.7 4,-1.9 -5,-0.1 187,-0.0 -0.436 72.8-134.8 -65.1 137.6 -18.3 -6.5 27.7 37 53 A A T 4 S+ 0 0 32 1,-0.2 -1,-0.1 2,-0.2 -4,-0.0 0.929 102.2 36.6 -57.3 -43.7 -19.3 -9.4 25.4 38 54 A T T 4 S+ 0 0 58 1,-0.2 -1,-0.2 2,-0.1 1601,-0.1 0.788 122.7 39.5 -90.6 -29.0 -22.5 -7.8 24.3 39 55 A T T >4 S+ 0 0 46 -7,-0.1 3,-1.9 1,-0.1 4,-0.5 0.677 90.9 90.4 -89.4 -23.4 -21.5 -4.1 24.1 40 56 A H G >< S+ 0 0 41 -4,-1.9 3,-1.7 1,-0.3 -2,-0.1 0.834 80.8 56.8 -43.5 -49.0 -18.0 -4.6 22.6 41 57 A P G 3 S+ 0 0 31 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.738 111.2 44.8 -58.9 -22.7 -19.1 -4.5 18.9 42 58 A T G < S+ 0 0 23 -3,-1.9 2,-0.3 -9,-0.2 -2,-0.2 0.382 91.9 114.5 -95.7 -0.3 -20.6 -1.0 19.5 43 59 A A < - 0 0 12 -3,-1.7 -13,-0.0 -4,-0.5 -12,-0.0 -0.595 51.8-162.1 -83.1 129.1 -17.5 0.2 21.5 44 60 A A S S+ 0 0 15 -2,-0.3 2,-0.7 1,-0.2 197,-0.2 0.886 91.5 57.1 -70.0 -43.3 -15.3 3.0 20.1 45 61 A V S S- 0 0 0 -15,-0.2 -1,-0.2 1,-0.1 193,-0.2 -0.857 79.7-165.0 -89.9 112.6 -12.6 1.9 22.5 46 62 A K - 0 0 37 -2,-0.7 192,-0.2 191,-0.5 -1,-0.1 0.601 9.4-152.1 -86.2 -19.9 -12.1 -1.7 21.5 47 63 A M - 0 0 3 190,-1.5 190,-0.3 1,-0.2 191,-0.1 0.916 23.8-156.7 49.1 62.8 -10.1 -3.1 24.4 48 64 A L E -A 236 0A 12 188,-2.7 188,-2.7 1,-0.1 -1,-0.2 -0.567 10.8-123.0 -84.3 124.1 -8.5 -5.7 22.2 49 65 A P E -A 235 0A 20 0, 0.0 89,-0.4 0, 0.0 186,-0.2 -0.327 24.0-176.6 -56.9 146.5 -7.1 -8.8 23.8 50 66 A T - 0 0 5 184,-1.2 185,-0.1 2,-0.2 3,-0.1 0.433 33.1-129.8-124.6 -14.2 -3.4 -9.5 23.2 51 67 A F + 0 0 39 183,-0.3 2,-0.6 1,-0.3 90,-0.2 0.664 65.2 132.1 59.9 22.7 -2.8 -12.9 24.9 52 68 A V + 0 0 7 182,-0.4 182,-3.4 1,-0.1 -1,-0.3 -0.922 29.7 175.9 -98.0 119.8 0.2 -11.5 26.7 53 69 A R + 0 0 93 -2,-0.6 179,-0.4 180,-0.2 2,-0.3 0.526 53.8 12.0-108.5 -10.6 -0.5 -12.6 30.2 54 70 A S - 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