==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 18-MAY-11 3S41 . COMPND 2 MOLECULE: GLUCOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.LIU . 448 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19044.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 333 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 9.4 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 . 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 . 2 0.4 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 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 167 37.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 1 1 0 0 1 2 0 0 3 1 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 2 0 0 0 2 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 PARALLEL BRIDGES PER LADDER . 1 0 1 1 2 0 1 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 . 0 0 1 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 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 4 A E 0 0 206 0, 0.0 5,-0.1 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 -83.0 -57.3 12.0 -18.2 2 5 A N > - 0 0 73 3,-0.1 4,-2.4 2,-0.1 5,-0.2 0.903 360.0-137.4 65.4 107.6 -59.3 14.9 -16.5 3 6 A L H > S+ 0 0 148 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.734 104.6 54.7 -62.1 -27.1 -57.3 17.3 -14.1 4 7 A Y H > S+ 0 0 148 2,-0.2 4,-1.3 1,-0.1 -1,-0.2 0.887 112.5 43.2 -73.6 -39.6 -60.1 17.2 -11.5 5 8 A F H > S+ 0 0 121 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.893 109.9 54.2 -72.4 -40.4 -60.0 13.3 -11.4 6 9 A Q H X S+ 0 0 60 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.837 111.8 48.4 -57.8 -37.6 -56.2 13.1 -11.4 7 10 A G H X S+ 0 0 33 -4,-1.1 4,-1.4 2,-0.2 -1,-0.2 0.811 107.5 52.3 -72.9 -37.4 -56.3 15.4 -8.3 8 11 A M H X S+ 0 0 64 -4,-1.3 4,-1.4 2,-0.2 -2,-0.2 0.831 109.0 52.4 -68.1 -35.8 -59.0 13.4 -6.5 9 12 A K H X S+ 0 0 68 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.891 109.4 48.3 -63.8 -47.2 -56.8 10.3 -7.0 10 13 A K H X S+ 0 0 69 -4,-1.4 4,-2.2 1,-0.2 -2,-0.2 0.763 108.5 55.2 -67.4 -30.1 -53.7 12.1 -5.4 11 14 A E H X S+ 0 0 112 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.851 109.8 45.1 -73.1 -35.6 -55.9 13.2 -2.5 12 15 A K H X S+ 0 0 120 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.875 111.2 54.0 -74.3 -37.0 -56.9 9.6 -1.7 13 16 A V H >X S+ 0 0 1 -4,-2.1 4,-2.5 1,-0.2 3,-0.5 0.964 109.4 49.2 -56.0 -52.7 -53.2 8.5 -2.2 14 17 A E H 3X S+ 0 0 67 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.783 105.8 55.6 -55.7 -40.8 -52.3 11.2 0.5 15 18 A Q H 3< S+ 0 0 132 -4,-1.4 -1,-0.2 2,-0.2 4,-0.2 0.860 113.4 41.9 -63.9 -37.2 -55.0 10.0 2.9 16 19 A I H X< S+ 0 0 19 -4,-1.6 3,-1.2 -3,-0.5 -2,-0.2 0.894 114.8 50.6 -73.5 -43.1 -53.5 6.5 2.8 17 20 A L H >< S+ 0 0 4 -4,-2.5 3,-2.0 1,-0.2 4,-0.3 0.724 91.7 77.3 -68.9 -24.4 -49.8 7.9 2.9 18 21 A A G >< S+ 0 0 37 -4,-1.9 3,-1.2 1,-0.3 -1,-0.2 0.689 78.1 74.6 -57.5 -22.5 -50.7 10.0 6.0 19 22 A E G < S+ 0 0 99 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.717 87.1 61.2 -65.2 -23.2 -50.5 6.8 8.1 20 23 A F G < S+ 0 0 8 -3,-2.0 -1,-0.2 -4,-0.1 -2,-0.2 0.675 81.9 115.8 -75.3 -20.3 -46.6 7.0 7.7 21 24 A Q < - 0 0 126 -3,-1.2 2,-0.4 -4,-0.3 343,-0.0 -0.205 44.8-170.1 -59.2 135.6 -46.5 10.4 9.5 22 25 A L - 0 0 24 4,-0.0 2,-0.1 3,-0.0 -2,-0.0 -0.999 13.1-144.9-126.6 122.4 -44.8 10.7 12.9 23 26 A Q >> - 0 0 111 -2,-0.4 4,-1.6 1,-0.1 3,-0.5 -0.411 31.4-104.2 -79.6 165.6 -45.3 13.9 14.9 24 27 A E H 3> S+ 0 0 86 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.809 123.8 55.1 -60.2 -31.5 -42.4 15.4 17.1 25 28 A E H 3> S+ 0 0 104 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.808 105.0 51.6 -72.8 -30.8 -44.2 14.0 20.2 26 29 A D H <> S+ 0 0 46 -3,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.846 109.6 50.9 -70.8 -37.2 -44.3 10.5 18.7 27 30 A L H X S+ 0 0 4 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.893 109.4 49.6 -69.2 -37.8 -40.5 10.8 18.1 28 31 A K H X S+ 0 0 76 -4,-1.9 4,-2.9 2,-0.2 -1,-0.2 0.806 111.0 50.3 -67.0 -35.1 -39.9 11.9 21.7 29 32 A K H X S+ 0 0 67 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.958 112.9 45.3 -66.8 -49.9 -42.0 8.9 22.9 30 33 A V H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.924 114.7 50.2 -57.0 -47.2 -39.9 6.5 20.6 31 34 A M H X S+ 0 0 18 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.941 111.5 46.0 -57.8 -53.7 -36.8 8.2 21.9 32 35 A R H X S+ 0 0 117 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.862 113.6 49.9 -61.2 -37.0 -37.8 7.9 25.6 33 36 A R H X S+ 0 0 62 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.897 110.5 50.1 -66.7 -40.2 -38.7 4.3 25.1 34 37 A M H X S+ 0 0 0 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.924 112.3 47.8 -60.3 -48.4 -35.3 3.7 23.3 35 38 A Q H X S+ 0 0 44 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.845 110.2 51.8 -60.1 -40.3 -33.5 5.3 26.3 36 39 A K H X S+ 0 0 133 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.898 111.4 47.6 -65.1 -40.2 -35.6 3.2 28.7 37 40 A E H X S+ 0 0 4 -4,-2.1 4,-1.8 1,-0.2 15,-0.3 0.751 108.8 54.0 -71.1 -28.0 -34.6 0.1 26.8 38 41 A M H X S+ 0 0 0 -4,-1.5 4,-1.4 2,-0.2 -2,-0.2 0.875 108.1 49.3 -74.3 -39.7 -30.9 1.1 26.8 39 42 A D H X S+ 0 0 67 -4,-1.9 4,-1.1 1,-0.2 3,-0.3 0.939 111.7 50.7 -62.9 -46.2 -30.9 1.5 30.6 40 43 A R H < S+ 0 0 41 -4,-1.9 3,-0.4 1,-0.2 6,-0.4 0.883 108.4 50.6 -57.6 -45.2 -32.5 -1.9 30.9 41 44 A G H < S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.796 108.9 52.3 -64.5 -31.0 -29.9 -3.6 28.6 42 45 A L H < S+ 0 0 5 -4,-1.4 191,-1.2 -3,-0.3 192,-0.5 0.749 94.2 82.8 -77.8 -30.8 -26.9 -2.2 30.6 43 46 A R S >X S- 0 0 58 -4,-1.1 4,-2.1 -3,-0.4 3,-0.9 -0.681 75.0-136.5 -86.8 133.1 -28.1 -3.4 34.0 44 47 A L T 34 S+ 0 0 110 -2,-0.4 4,-0.4 1,-0.2 -1,-0.1 0.754 102.6 57.7 -52.4 -36.0 -27.4 -6.9 35.2 45 48 A E T 34 S+ 0 0 121 1,-0.2 -1,-0.2 2,-0.1 4,-0.1 0.802 121.1 22.0 -72.0 -33.7 -31.0 -7.2 36.6 46 49 A T T X> S+ 0 0 17 -3,-0.9 4,-1.8 -6,-0.4 3,-1.0 0.504 93.9 99.6-113.0 -9.8 -32.9 -6.5 33.3 47 50 A H T 3< S+ 0 0 6 -4,-2.1 3,-0.2 1,-0.2 -3,-0.1 0.843 80.5 53.4 -46.9 -50.4 -30.2 -7.4 30.7 48 51 A E T 34 S+ 0 0 142 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.807 117.5 37.1 -60.5 -30.2 -31.6 -10.9 29.9 49 52 A E T <4 S+ 0 0 125 -3,-1.0 -1,-0.2 -9,-0.1 -2,-0.2 0.654 91.6 110.0 -94.9 -17.1 -35.1 -9.6 29.2 50 53 A A < - 0 0 1 -4,-1.8 -13,-0.0 -3,-0.2 -12,-0.0 -0.331 56.4-154.3 -63.2 134.3 -34.1 -6.3 27.5 51 54 A S S S+ 0 0 11 1,-0.2 2,-0.9 -2,-0.0 199,-0.2 0.840 89.0 64.8 -77.0 -34.0 -34.8 -6.1 23.7 52 55 A V S S- 0 0 0 -15,-0.3 -11,-0.2 1,-0.1 195,-0.2 -0.806 78.9-160.8 -90.2 97.5 -31.9 -3.6 23.2 53 56 A K - 0 0 52 -2,-0.9 194,-0.2 194,-0.4 -1,-0.1 0.631 3.1-157.7 -63.4 -18.8 -28.9 -5.8 24.2 54 57 A M - 0 0 3 192,-1.9 192,-0.3 1,-0.2 193,-0.1 0.904 22.9-159.6 40.6 56.3 -26.4 -3.0 24.9 55 58 A L E -A 245 0A 2 190,-2.7 190,-3.3 189,-0.1 -1,-0.2 -0.550 14.2-125.4 -76.3 125.7 -23.6 -5.5 24.3 56 59 A P E -A 244 0A 6 0, 0.0 91,-0.7 0, 0.0 188,-0.2 -0.433 18.7-166.6 -66.5 133.1 -20.1 -4.7 25.7 57 60 A T E - 0 0 5 186,-2.1 136,-0.2 2,-0.2 187,-0.1 0.595 30.4-128.1 -92.8 -20.1 -17.5 -4.9 22.9 58 61 A Y E + 0 0 49 185,-0.4 2,-0.7 1,-0.3 92,-0.2 0.599 68.7 132.8 70.8 15.5 -14.3 -4.9 25.1 59 62 A V E - 0 0 13 184,-0.4 184,-3.1 90,-0.1 -1,-0.3 -0.895 42.0-167.7 -94.3 112.1 -13.1 -2.0 23.0 60 63 A R E -A 242 0A 116 -2,-0.7 2,-0.4 182,-0.2 182,-0.2 -0.798 32.9-104.1-108.5 152.0 -11.9 0.5 25.6 61 64 A S - 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