==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 02-AUG-10 3O80 . COMPND 2 MOLECULE: HEXOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: KLUYVEROMYCES LACTIS; . AUTHOR E.B.KUETTNER,K.KETTNER,A.KEIM,T.M.KRIEGEL,N.STRATER . 469 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20371.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 339 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 8.7 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 29 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 35.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.9 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 2 1 0 0 1 1 0 2 1 1 2 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 0 0 0 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 2 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 A 0 0 68 0, 0.0 2,-0.5 0, 0.0 361,-0.0 0.000 360.0 360.0 360.0 103.4 8.9 69.0 8.8 2 18 A D - 0 0 162 1,-0.0 357,-0.1 0, 0.0 356,-0.0 -0.876 360.0-108.4 -92.6 127.9 10.6 70.1 5.5 3 19 A V - 0 0 29 -2,-0.5 5,-0.1 1,-0.1 -1,-0.0 -0.393 32.0-119.2 -64.1 117.3 14.2 68.7 5.4 4 20 A P >> - 0 0 55 0, 0.0 4,-2.2 0, 0.0 3,-0.8 -0.265 25.4-114.1 -51.9 143.4 16.9 71.5 5.9 5 21 A A H 3> S+ 0 0 84 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.813 115.2 53.9 -48.1 -46.8 19.2 71.8 2.8 6 22 A N H 3> S+ 0 0 67 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.808 112.6 44.9 -61.7 -33.8 22.3 70.7 4.7 7 23 A L H <> S+ 0 0 5 -3,-0.8 4,-1.9 2,-0.2 -2,-0.2 0.790 110.1 53.9 -78.4 -34.1 20.5 67.5 5.8 8 24 A M H X S+ 0 0 76 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.903 106.4 52.8 -64.9 -45.5 19.1 67.0 2.3 9 25 A E H X S+ 0 0 134 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.860 108.3 51.5 -54.1 -40.4 22.7 67.1 0.9 10 26 A Q H X S+ 0 0 51 -4,-1.0 4,-2.3 2,-0.2 -2,-0.2 0.921 107.6 51.6 -66.9 -36.6 23.7 64.4 3.5 11 27 A I H X S+ 0 0 16 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.939 108.7 50.5 -65.8 -41.9 20.8 62.1 2.4 12 28 A H H X S+ 0 0 109 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.874 110.0 52.6 -57.4 -38.4 21.9 62.5 -1.3 13 29 A G H X S+ 0 0 33 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.858 107.7 49.6 -64.0 -40.6 25.4 61.6 -0.0 14 30 A L H X S+ 0 0 6 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.921 108.6 54.0 -70.4 -43.2 24.1 58.4 1.7 15 31 A E H X S+ 0 0 58 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.898 108.3 48.3 -52.5 -45.8 22.3 57.5 -1.5 16 32 A T H < S+ 0 0 113 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.910 114.7 47.4 -64.9 -37.8 25.5 57.7 -3.5 17 33 A L H < S+ 0 0 80 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.880 123.7 29.3 -67.9 -35.5 27.3 55.6 -0.9 18 34 A F H < S+ 0 0 2 -4,-2.4 2,-0.2 -5,-0.1 -2,-0.2 0.556 89.4 102.8-109.9 -9.3 24.7 52.9 -0.6 19 35 A T < - 0 0 82 -4,-1.9 2,-0.6 -5,-0.2 351,-0.0 -0.538 52.2-155.1 -83.8 146.2 22.9 52.5 -3.9 20 36 A V - 0 0 6 -2,-0.2 2,-0.1 4,-0.0 -3,-0.0 -0.965 12.5-145.9-124.7 111.8 23.8 49.6 -6.1 21 37 A S > - 0 0 50 -2,-0.6 4,-3.2 1,-0.1 5,-0.2 -0.274 24.7-109.6 -72.1 160.1 23.1 50.0 -9.8 22 38 A S H > S+ 0 0 28 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.903 119.1 50.3 -46.1 -53.3 22.1 47.4 -12.3 23 39 A E H > S+ 0 0 126 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.895 110.6 48.3 -64.2 -42.7 25.5 47.5 -14.0 24 40 A K H > S+ 0 0 94 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.936 109.9 53.1 -64.2 -41.1 27.4 47.1 -10.7 25 41 A M H X S+ 0 0 0 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.918 108.6 49.9 -57.5 -41.1 25.1 44.2 -9.8 26 42 A R H X S+ 0 0 94 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.844 109.8 49.5 -68.4 -36.2 26.0 42.6 -13.1 27 43 A S H X S+ 0 0 67 -4,-2.0 4,-1.9 2,-0.2 5,-0.2 0.943 111.4 49.9 -67.5 -43.6 29.7 43.0 -12.6 28 44 A I H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.909 109.1 52.6 -58.6 -42.1 29.4 41.5 -9.1 29 45 A V H X S+ 0 0 3 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.915 106.4 54.0 -61.6 -42.5 27.4 38.5 -10.6 30 46 A K H X S+ 0 0 155 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.874 110.5 44.2 -57.7 -48.9 30.2 37.9 -13.1 31 47 A H H X S+ 0 0 41 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.815 111.4 55.7 -60.4 -34.7 32.9 37.7 -10.3 32 48 A F H X S+ 0 0 0 -4,-1.9 4,-2.9 -5,-0.2 -2,-0.2 0.922 103.0 55.9 -69.7 -43.5 30.5 35.5 -8.3 33 49 A I H X S+ 0 0 35 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.930 109.3 44.6 -52.3 -48.9 30.2 33.0 -11.2 34 50 A S H X S+ 0 0 46 -4,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.797 111.9 53.4 -76.1 -21.0 33.9 32.5 -11.4 35 51 A E H X S+ 0 0 21 -4,-1.5 4,-2.1 2,-0.2 12,-0.3 0.902 109.6 47.4 -72.8 -42.5 34.2 32.2 -7.6 36 52 A L H X S+ 0 0 0 -4,-2.9 4,-1.4 2,-0.2 -2,-0.2 0.951 113.5 49.3 -56.0 -48.9 31.5 29.4 -7.6 37 53 A D H X S+ 0 0 77 -4,-2.4 4,-1.2 1,-0.2 3,-0.3 0.916 110.9 50.9 -53.5 -45.5 33.3 27.7 -10.5 38 54 A K H X S+ 0 0 126 -4,-2.0 4,-1.4 1,-0.3 3,-0.2 0.873 106.4 52.8 -66.8 -35.9 36.6 28.0 -8.5 39 55 A G H < S+ 0 0 0 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.816 109.8 50.5 -67.4 -30.4 35.1 26.5 -5.4 40 56 A L H < S+ 0 0 0 -4,-1.4 192,-1.9 -3,-0.3 193,-0.2 0.713 112.0 46.6 -78.2 -21.4 33.9 23.5 -7.5 41 57 A S H < S+ 0 0 34 -4,-1.2 2,-0.4 190,-0.2 -2,-0.2 0.665 118.9 28.9 -93.8 -23.9 37.3 22.9 -9.1 42 58 A K S >< S- 0 0 151 -4,-1.4 3,-0.8 -5,-0.2 2,-0.3 -0.994 77.7-113.5-141.6 142.6 39.5 23.1 -6.0 43 59 A K T 3 S+ 0 0 163 -2,-0.4 -3,-0.1 1,-0.2 6,-0.1 -0.574 103.1 21.3 -64.3 133.6 39.2 22.4 -2.3 44 60 A G T 3 + 0 0 76 -2,-0.3 -1,-0.2 4,-0.2 2,-0.2 0.812 69.4 148.6 72.2 33.3 39.4 25.8 -0.5 45 61 A G S < S- 0 0 23 -3,-0.8 -1,-0.1 2,-0.4 -10,-0.0 -0.480 76.4 -93.5 -68.0 166.5 38.5 28.5 -3.1 46 62 A N S S+ 0 0 66 -2,-0.2 209,-0.2 1,-0.1 -1,-0.1 0.776 120.8 67.4 -58.7 -21.0 37.0 31.1 -0.8 47 63 A I S S- 0 0 0 -12,-0.3 -2,-0.4 1,-0.2 206,-0.1 -0.871 75.6-154.6-102.2 109.6 33.6 29.4 -1.6 48 64 A P - 0 0 48 0, 0.0 -4,-0.2 0, 0.0 204,-0.2 0.869 9.9-167.9 -47.7 -44.8 33.4 25.9 -0.2 49 65 A M - 0 0 0 202,-2.1 202,-0.2 1,-0.2 203,-0.1 0.969 17.1-158.8 48.3 61.2 30.8 24.6 -2.7 50 66 A I E -A 250 0A 63 200,-2.7 200,-2.7 201,-0.1 2,-0.2 -0.550 15.6-123.6 -76.7 119.7 30.3 21.4 -0.5 51 67 A P E -A 249 0A 15 0, 0.0 198,-0.3 0, 0.0 -1,-0.1 -0.533 17.8-157.0 -56.8 131.7 28.8 18.3 -2.5 52 68 A G - 0 0 6 196,-4.6 197,-0.2 2,-0.2 3,-0.1 0.505 29.3-124.8 -91.8 -3.6 25.6 17.4 -0.6 53 69 A W + 0 0 9 195,-0.5 2,-0.5 1,-0.3 96,-0.2 0.825 69.9 128.8 68.7 30.6 25.6 13.9 -1.9 54 70 A V + 0 0 4 194,-0.3 194,-2.2 1,-0.1 -1,-0.3 -0.990 30.3 175.8-112.5 120.6 22.1 14.1 -3.3 55 71 A V + 0 0 7 -2,-0.5 2,-0.3 192,-0.2 192,-0.1 0.068 52.2 54.3-121.6 23.4 22.4 12.9 -6.9 56 72 A E S S- 0 0 62 189,-0.1 192,-0.1 0, 0.0 397,-0.1 -0.982 75.5-118.6-148.5 153.4 18.9 12.9 -8.2 57 73 A Y - 0 0 96 -2,-0.3 2,-0.2 1,-0.0 -2,-0.0 -0.705 36.2-113.3 -84.7 139.2 16.0 15.4 -8.4 58 74 A P - 0 0 8 0, 0.0 392,-0.0 0, 0.0 -1,-0.0 -0.571 22.0-151.9 -65.8 145.7 12.9 14.5 -6.6 59 75 A T - 0 0 76 -2,-0.2 -2,-0.0 -3,-0.0 145,-0.0 0.629 29.6-120.8 -92.9 -18.0 10.2 13.8 -9.2 60 76 A G S S+ 0 0 0 26,-0.1 27,-3.3 146,-0.1 28,-0.4 0.247 98.6 90.2 89.2 -11.9 7.2 14.8 -7.0 61 77 A K + 0 0 112 25,-0.2 143,-0.0 26,-0.1 25,-0.0 0.425 54.7 121.3 -91.2 -5.6 5.8 11.2 -7.5 62 78 A E - 0 0 13 142,-0.0 23,-1.1 1,-0.0 2,-0.3 -0.331 41.8-172.8 -57.7 139.4 7.6 9.7 -4.4 63 79 A T E +F 84 0B 94 21,-0.2 21,-0.2 22,-0.1 2,-0.2 -0.882 28.2 65.9-127.8 166.4 5.2 8.2 -1.9 64 80 A G E S-F 83 0B 29 19,-1.4 19,-2.7 -2,-0.3 2,-0.4 -0.474 76.8 -55.7 117.2 179.1 5.6 6.7 1.7 65 81 A D E +F 82 0B 51 17,-0.2 2,-0.3 -2,-0.2 17,-0.2 -0.796 49.6 175.4-102.3 131.7 6.4 7.6 5.3 66 82 A F E -F 81 0B 10 15,-2.4 15,-3.4 -2,-0.4 2,-0.3 -0.989 15.5-143.4-139.1 143.1 9.8 9.3 6.1 67 83 A L E -Fg 80 136B 0 68,-3.2 70,-3.1 -2,-0.3 2,-0.4 -0.765 8.5-166.3-106.3 155.2 11.3 10.7 9.3 68 84 A A E -Fg 79 137B 0 11,-2.1 11,-2.4 -2,-0.3 2,-0.5 -0.991 7.4-158.8-135.7 146.8 13.5 13.7 10.1 69 85 A L E -Fg 78 138B 0 68,-2.3 70,-2.5 -2,-0.4 2,-0.6 -0.998 6.7-170.9-121.7 124.3 15.4 14.5 13.2 70 86 A D E -Fg 77 139B 31 7,-2.8 7,-2.3 -2,-0.5 2,-0.7 -0.939 11.2-157.4-118.5 99.7 16.3 18.2 13.6 71 87 A L E +Fg 76 140B 2 68,-1.7 70,-0.6 -2,-0.6 5,-0.2 -0.759 21.5 178.3 -91.6 118.7 18.8 18.6 16.6 72 88 A G - 0 0 23 3,-3.2 -1,-0.0 -2,-0.7 26,-0.0 -0.258 43.8 -88.1-112.5-174.5 18.7 22.0 18.1 73 89 A G S S- 0 0 46 1,-0.1 3,-0.1 -2,-0.1 -2,-0.0 0.908 121.6 -6.8 -62.2 -46.1 20.2 24.3 20.8 74 90 A T S S+ 0 0 78 1,-0.1 24,-2.1 23,-0.0 2,-0.3 0.466 129.8 60.3-127.0 -8.6 17.5 23.3 23.4 75 91 A N E - H 0 97B 69 22,-0.2 -3,-3.2 2,-0.0 2,-0.5 -0.884 55.5-153.4-124.4 151.6 15.1 21.2 21.3 76 92 A L E -FH 71 96B 0 20,-1.6 20,-2.6 -2,-0.3 2,-0.5 -0.992 22.0-159.0-116.2 129.2 15.1 18.0 19.3 77 93 A R E -FH 70 95B 27 -7,-2.3 -7,-2.8 -2,-0.5 2,-0.5 -0.958 4.5-164.8-111.4 131.1 12.3 18.1 16.7 78 94 A V E -FH 69 94B 0 16,-2.8 16,-2.2 -2,-0.5 2,-0.5 -0.976 9.6-170.1-116.1 125.3 11.1 14.9 15.2 79 95 A V E -FH 68 93B 0 -11,-2.4 -11,-2.1 -2,-0.5 2,-0.5 -0.948 13.4-158.3-119.8 132.9 9.1 15.2 12.0 80 96 A L E -FH 67 92B 4 12,-3.1 12,-2.1 -2,-0.5 2,-0.5 -0.952 14.2-163.5-104.4 132.3 7.0 12.5 10.2 81 97 A V E -FH 66 91B 0 -15,-3.4 -15,-2.4 -2,-0.5 2,-0.6 -0.956 8.6-160.5-115.4 126.8 6.4 13.3 6.5 82 98 A K E -FH 65 90B 81 8,-3.4 8,-2.3 -2,-0.5 2,-0.5 -0.924 14.7-150.7-100.1 107.3 3.7 11.4 4.5 83 99 A L E -FH 64 89B 9 -19,-2.7 -19,-1.4 -2,-0.6 6,-0.2 -0.679 8.6-166.7 -82.6 120.9 4.5 11.8 0.8 84 100 A G E -F 63 0B 47 4,-2.0 -21,-0.2 -2,-0.5 5,-0.2 0.451 33.7-122.5 -88.4 -4.9 1.3 11.8 -1.3 85 101 A G S S+ 0 0 16 -23,-1.1 -22,-0.1 3,-0.6 4,-0.1 0.601 93.6 84.8 76.1 5.4 3.0 11.3 -4.8 86 102 A N S S- 0 0 108 2,-0.3 -25,-0.2 -24,-0.2 3,-0.1 -0.200 122.6 -80.2-127.9 50.4 1.5 14.4 -6.4 87 103 A H S S+ 0 0 50 -27,-3.3 2,-0.3 1,-0.2 -26,-0.1 0.827 106.3 115.0 58.3 26.2 4.1 17.1 -5.2 88 104 A D + 0 0 72 -28,-0.4 -4,-2.0 2,-0.0 -3,-0.6 -0.860 40.3 171.4-127.3 159.7 2.0 16.9 -2.0 89 105 A F E -H 83 0B 44 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.980 21.3-144.6-163.1 148.6 2.7 15.8 1.6 90 106 A D E -H 82 0B 122 -8,-2.3 -8,-3.4 -2,-0.3 2,-0.3 -0.918 25.1-170.4-110.9 160.8 1.2 15.8 5.1 91 107 A T E -H 81 0B 68 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.965 16.4-176.4-146.8 148.0 3.3 16.2 8.2 92 108 A T E -H 80 0B 46 -12,-2.1 -12,-3.1 -2,-0.3 2,-0.3 -0.973 14.3-173.5-140.2 164.9 3.2 16.0 11.9 93 109 A Q E -H 79 0B 78 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.991 16.9-159.8-154.3 153.7 5.9 16.8 14.5 94 110 A N E -H 78 0B 47 -16,-2.2 -16,-2.8 -2,-0.3 2,-0.4 -0.991 12.9-149.8-128.2 149.5 6.9 16.7 18.2 95 111 A K E -H 77 0B 124 -2,-0.3 2,-0.4 -18,-0.2 -18,-0.2 -0.945 8.9-162.7-115.1 140.5 9.6 18.7 20.0 96 112 A Y E -H 76 0B 30 -20,-2.6 -20,-1.6 -2,-0.4 21,-0.0 -0.987 21.3-125.9-120.1 124.2 11.5 17.3 23.1 97 113 A R E -H 75 0B 129 -2,-0.4 -22,-0.2 -22,-0.2 -23,-0.0 -0.365 28.6-126.7 -50.7 137.4 13.5 19.6 25.6 98 114 A L - 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