==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-AUG-11 3VGL . COMPND 2 MOLECULE: GLUCOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES GRISEUS; . AUTHOR K.MIYAZONO,N.TABEI,S.MORITA,Y.OHNISHI,S.HORINOUCHI,M.TANOKUR . 312 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13501.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 228 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 11.5 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 . 2 0.6 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 . 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 . 17 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 31.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 1 0 0 0 2 0 1 1 0 2 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 2 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 . 3 3 0 1 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 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 2 A G 0 0 46 0, 0.0 2,-0.4 0, 0.0 55,-0.1 0.000 360.0 360.0 360.0-154.7 12.4 20.2 44.2 2 3 A L E -a 56 0A 39 53,-0.6 55,-3.0 17,-0.1 56,-0.4 -0.790 360.0-178.6-100.8 140.9 12.7 19.0 40.7 3 4 A T E - B 0 18A 2 15,-1.7 15,-2.7 -2,-0.4 2,-0.4 -0.837 24.6-120.1-124.2 168.1 10.1 19.2 38.0 4 5 A I E -aB 59 17A 0 54,-2.5 56,-3.0 -2,-0.3 2,-0.4 -0.922 18.2-157.6-107.3 135.5 10.1 18.1 34.3 5 6 A G E -aB 60 16A 0 11,-2.7 11,-2.1 -2,-0.4 2,-0.4 -0.938 6.6-169.0-105.7 139.1 9.5 20.5 31.5 6 7 A V E -aB 61 15A 0 54,-2.6 56,-3.2 -2,-0.4 2,-0.6 -0.979 4.9-162.2-127.9 117.5 8.2 19.1 28.1 7 8 A D E -aB 62 14A 27 7,-3.7 7,-2.4 -2,-0.4 2,-0.7 -0.895 6.2-167.0-101.4 116.5 8.2 21.4 25.0 8 9 A I E +aB 63 13A 0 54,-3.1 56,-2.2 -2,-0.6 5,-0.2 -0.902 16.5 169.9-107.5 106.2 5.9 20.0 22.3 9 10 A G - 0 0 12 3,-2.9 23,-0.0 -2,-0.7 54,-0.0 -0.511 50.8 -95.2-106.5 175.8 6.5 21.8 19.0 10 11 A G S S+ 0 0 19 -2,-0.2 3,-0.1 1,-0.1 -1,-0.0 0.777 123.2 18.2 -58.5 -27.8 5.4 21.2 15.4 11 12 A T S S+ 0 0 68 1,-0.3 21,-2.3 20,-0.1 2,-0.3 0.780 125.5 33.2-112.1 -44.1 8.6 19.3 14.7 12 13 A K E - C 0 31A 110 19,-0.3 -3,-2.9 2,-0.0 2,-0.5 -0.900 50.7-152.1-128.1 146.5 10.2 18.3 18.0 13 14 A I E -BC 8 30A 0 17,-3.1 17,-2.2 -2,-0.3 2,-0.4 -0.964 23.1-179.5-109.5 131.3 9.4 17.2 21.5 14 15 A A E +BC 7 29A 23 -7,-2.4 -7,-3.7 -2,-0.5 2,-0.3 -0.998 1.9 177.0-132.1 135.2 12.0 18.0 24.2 15 16 A A E +BC 6 28A 1 13,-2.5 13,-2.0 -2,-0.4 2,-0.3 -0.936 3.5 163.5-134.0 155.7 11.9 17.3 27.9 16 17 A G E -B 5 0A 0 -11,-2.1 -11,-2.7 -2,-0.3 2,-0.4 -0.966 39.8-106.6-164.5 154.7 14.2 17.7 30.8 17 18 A V E -B 4 0A 0 33,-0.3 8,-3.1 -2,-0.3 9,-0.8 -0.703 40.6-166.2 -79.8 133.9 14.5 17.8 34.6 18 19 A V E -BD 3 24A 0 -15,-2.7 -15,-1.7 -2,-0.4 6,-0.2 -0.992 7.0-145.3-130.3 131.7 14.9 21.4 35.8 19 20 A D > - 0 0 33 4,-2.3 3,-1.7 -2,-0.4 -17,-0.1 -0.218 39.3 -87.5 -87.2-176.7 16.0 22.5 39.2 20 21 A E T 3 S+ 0 0 88 1,-0.3 -1,-0.1 2,-0.1 -18,-0.1 0.679 127.7 50.7 -67.7 -21.2 14.9 25.6 41.1 21 22 A E T 3 S- 0 0 114 2,-0.1 -1,-0.3 94,-0.0 3,-0.1 0.231 121.7-104.8 -99.9 11.7 17.6 27.8 39.5 22 23 A G < + 0 0 7 -3,-1.7 2,-0.4 1,-0.3 -2,-0.1 0.658 67.5 153.9 73.6 19.1 16.6 26.7 36.0 23 24 A R - 0 0 159 280,-0.0 -4,-2.3 1,-0.0 2,-0.6 -0.653 44.0-130.5 -77.0 134.0 19.5 24.4 35.6 24 25 A I B +D 18 0A 53 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.769 27.2 178.6 -86.0 122.0 18.8 21.6 33.1 25 26 A L + 0 0 78 -8,-3.1 2,-0.3 -2,-0.6 -7,-0.1 0.553 63.6 17.9-101.5 -13.7 19.7 18.3 34.7 26 27 A S - 0 0 21 -9,-0.8 2,-0.4 2,-0.0 -1,-0.2 -0.984 61.4-147.2-154.7 161.7 18.7 15.9 31.9 27 28 A T + 0 0 86 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.994 15.4 170.3-134.3 132.6 17.8 15.9 28.1 28 29 A F E -C 15 0A 52 -13,-2.0 -13,-2.5 -2,-0.4 2,-0.4 -0.988 8.9-178.4-139.2 135.7 15.3 13.8 26.1 29 30 A K E +C 14 0A 137 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.997 8.9 158.6-133.1 141.1 14.4 14.5 22.5 30 31 A V E -C 13 0A 60 -17,-2.2 -17,-3.1 -2,-0.4 2,-0.1 -0.974 43.9 -96.3-152.9 153.1 12.0 12.8 20.1 31 32 A A E -C 12 0A 72 -2,-0.3 -19,-0.3 -19,-0.2 -20,-0.1 -0.405 45.1-105.7 -68.0 143.0 10.2 13.8 16.9 32 33 A T - 0 0 22 -21,-2.3 -1,-0.1 -2,-0.1 7,-0.1 -0.592 37.7-130.9 -69.5 120.5 6.6 15.0 17.3 33 34 A P - 0 0 35 0, 0.0 6,-0.1 0, 0.0 -1,-0.1 -0.301 14.2-118.0 -70.2 160.1 4.2 12.3 16.0 34 35 A P S S+ 0 0 116 0, 0.0 2,-0.3 0, 0.0 47,-0.3 0.608 88.9 61.3 -77.8 -14.5 1.4 13.2 13.6 35 36 A T S > S- 0 0 69 1,-0.1 4,-2.4 45,-0.1 5,-0.1 -0.863 79.0-125.5-117.4 153.3 -1.6 12.2 15.8 36 37 A A H > S+ 0 0 5 -2,-0.3 4,-1.9 45,-0.3 5,-0.1 0.854 113.9 49.8 -58.9 -38.9 -2.8 13.4 19.2 37 38 A E H > S+ 0 0 128 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.902 110.4 49.5 -68.6 -41.5 -2.8 9.9 20.6 38 39 A G H > S+ 0 0 16 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.860 108.2 55.4 -63.3 -36.4 0.8 9.4 19.3 39 40 A I H X S+ 0 0 2 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.908 105.0 51.1 -64.1 -42.3 1.7 12.7 20.9 40 41 A V H X S+ 0 0 8 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.942 110.6 49.8 -60.9 -42.8 0.5 11.6 24.3 41 42 A D H X S+ 0 0 87 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.917 111.9 48.2 -56.6 -46.4 2.6 8.4 24.0 42 43 A A H X S+ 0 0 11 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.845 108.3 53.9 -65.7 -37.7 5.6 10.5 23.1 43 44 A I H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.927 109.5 48.7 -60.6 -44.9 5.0 12.8 26.0 44 45 A C H X S+ 0 0 23 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.905 112.2 47.9 -62.1 -41.3 5.0 9.8 28.3 45 46 A A H X S+ 0 0 48 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.889 112.7 49.4 -64.3 -41.8 8.2 8.5 26.7 46 47 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.912 111.8 47.5 -63.0 -45.6 9.9 11.9 27.0 47 48 A V H X S+ 0 0 8 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.949 114.4 47.3 -61.4 -48.1 8.8 12.2 30.7 48 49 A A H X S+ 0 0 68 -4,-2.6 4,-0.7 -5,-0.2 -2,-0.2 0.921 115.4 45.6 -59.1 -46.3 10.1 8.7 31.4 49 50 A G H >< S+ 0 0 27 -4,-2.7 3,-0.8 1,-0.2 -2,-0.2 0.923 116.1 43.3 -64.2 -47.9 13.4 9.3 29.6 50 51 A A H 3< S+ 0 0 0 -4,-2.8 -33,-0.3 1,-0.2 -1,-0.2 0.827 110.0 58.6 -68.2 -28.0 14.2 12.7 31.1 51 52 A S H >< S+ 0 0 25 -4,-2.0 3,-2.7 -5,-0.3 -1,-0.2 0.618 72.8 128.3 -79.9 -14.4 13.1 11.5 34.6 52 53 A E T << S+ 0 0 161 -3,-0.8 3,-0.1 -4,-0.7 -3,-0.0 -0.208 83.8 3.7 -47.9 121.6 15.8 8.7 34.7 53 54 A G T 3 S+ 0 0 82 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.345 112.4 103.1 86.5 -4.1 17.7 9.0 38.0 54 55 A H < - 0 0 59 -3,-2.7 2,-0.8 2,-0.0 -1,-0.2 -0.897 69.6-129.7-124.6 143.3 15.7 11.9 39.3 55 56 A D - 0 0 154 -2,-0.4 -53,-0.6 -3,-0.1 2,-0.4 -0.788 37.2-165.9 -85.4 110.1 13.0 12.5 41.9 56 57 A V E -a 2 0A 26 -2,-0.8 -53,-0.2 1,-0.1 3,-0.1 -0.876 20.9-175.9-111.8 132.5 10.4 14.5 40.0 57 58 A E E - 0 0 125 -55,-3.0 2,-0.3 -2,-0.4 -54,-0.2 0.709 65.5 -2.9 -98.6 -29.4 7.4 16.4 41.6 58 59 A A E - 0 0 10 -56,-0.4 -54,-2.5 39,-0.1 2,-0.4 -0.977 58.0-125.8-159.3 166.5 5.4 17.7 38.6 59 60 A V E -ae 4 99A 0 39,-2.6 41,-1.7 -2,-0.3 2,-0.5 -0.987 15.9-165.6-124.2 125.9 5.3 18.0 34.8 60 61 A G E -ae 5 100A 0 -56,-3.0 -54,-2.6 -2,-0.4 2,-0.5 -0.963 8.6-158.9-108.3 132.1 5.0 21.3 32.9 61 62 A I E -ae 6 101A 0 39,-2.5 41,-3.3 -2,-0.5 2,-0.7 -0.927 8.7-161.3-110.5 126.2 4.1 21.1 29.2 62 63 A G E -ae 7 102A 0 -56,-3.2 -54,-3.1 -2,-0.5 2,-0.4 -0.955 23.8-165.9-100.6 109.8 4.8 24.0 26.8 63 64 A A E -ae 8 103A 0 39,-2.9 2,-2.3 -2,-0.7 41,-2.1 -0.847 25.5-127.0-107.7 135.0 2.5 23.2 23.9 64 65 A A S S+ 0 0 21 -56,-2.2 15,-0.4 -2,-0.4 2,-0.3 -0.412 80.1 62.7 -77.3 69.6 2.6 24.7 20.5 65 66 A G S S- 0 0 3 -2,-2.3 2,-0.6 12,-0.1 12,-0.3 -0.978 98.5 -57.5-169.1-178.5 -1.0 25.9 20.3 66 67 A Y E -F 76 0B 51 10,-3.5 9,-2.3 -2,-0.3 10,-1.1 -0.648 55.8-163.2 -74.0 112.5 -3.8 28.1 21.7 67 68 A V E -F 74 0B 4 -2,-0.6 7,-0.2 82,-0.4 36,-0.1 -0.851 15.9-116.0-104.0 139.8 -4.0 27.0 25.4 68 69 A D > - 0 0 21 5,-2.2 3,-1.8 -2,-0.4 81,-0.2 -0.086 26.8-104.6 -71.4 168.7 -7.0 27.9 27.6 69 70 A D T 3 S+ 0 0 75 79,-0.6 80,-0.2 1,-0.3 -1,-0.1 0.718 119.6 61.3 -68.9 -21.2 -7.1 30.1 30.7 70 71 A K T 3 S- 0 0 163 78,-0.2 -1,-0.3 3,-0.1 31,-0.2 0.442 106.1-129.4 -81.7 -2.6 -7.3 27.1 32.9 71 72 A R S < S+ 0 0 97 -3,-1.8 30,-2.4 2,-0.1 -2,-0.1 0.915 83.9 93.2 56.8 47.5 -3.9 25.9 31.6 72 73 A A S S+ 0 0 15 1,-0.3 16,-2.5 28,-0.2 17,-0.4 0.526 70.6 53.4-139.5 -22.5 -5.2 22.4 30.8 73 74 A T - 0 0 31 13,-0.2 -5,-2.2 14,-0.2 2,-0.9 -0.975 63.1-136.5-134.5 134.1 -6.5 22.2 27.2 74 75 A V E -FG 67 85B 0 11,-2.4 11,-2.8 -2,-0.4 10,-0.3 -0.834 24.2-173.2 -86.1 104.2 -5.0 23.0 23.8 75 76 A L E - 0 0 51 -9,-2.3 9,-1.6 -2,-0.9 2,-0.3 0.880 65.3 -8.8 -64.0 -41.3 -8.0 24.8 22.2 76 77 A F E -FG 66 83B 56 -10,-1.1 -10,-3.5 7,-0.2 -1,-0.3 -0.980 57.7-169.4-162.3 134.6 -6.5 25.0 18.7 77 78 A A - 0 0 1 5,-1.2 5,-0.4 -2,-0.3 -12,-0.1 -0.986 11.2-159.2-135.2 132.4 -3.1 24.4 17.0 78 79 A P S S+ 0 0 21 0, 0.0 -1,-0.1 0, 0.0 -13,-0.1 0.792 94.4 28.6 -76.0 -26.7 -2.1 25.4 13.4 79 80 A N S S+ 0 0 49 -15,-0.4 2,-0.3 1,-0.1 -14,-0.1 0.289 118.2 54.3-120.7 7.4 0.7 22.9 12.9 80 81 A I S S- 0 0 15 -16,-0.1 2,-2.1 2,-0.1 -3,-0.2 -0.983 90.2-109.1-137.8 147.5 -0.3 20.0 15.2 81 82 A D + 0 0 109 -2,-0.3 2,-0.5 -47,-0.3 -45,-0.3 -0.431 67.7 134.1 -83.5 72.9 -3.6 18.1 15.1 82 83 A W + 0 0 0 -2,-2.1 -5,-1.2 -5,-0.4 2,-0.4 -0.984 21.7 166.4-120.8 124.8 -5.1 19.4 18.4 83 84 A R E S-G 76 0B 125 -2,-0.5 -7,-0.2 -7,-0.2 -8,-0.2 -0.911 81.9 -24.3-137.4 113.3 -8.7 20.7 18.7 84 85 A H E S- 0 0 141 -9,-1.6 -9,-0.3 -2,-0.4 -8,-0.1 0.912 88.0-177.5 49.8 49.9 -10.0 21.2 22.3 85 86 A E E -G 74 0B 18 -11,-2.8 -11,-2.4 1,-0.1 2,-2.4 -0.683 26.9-145.1 -85.1 114.4 -7.4 18.6 23.4 86 87 A P > + 0 0 37 0, 0.0 4,-2.2 0, 0.0 -13,-0.2 -0.396 36.7 159.7 -77.2 72.0 -7.5 17.8 27.2 87 88 A L H > + 0 0 0 -2,-2.4 4,-2.5 1,-0.2 5,-0.3 0.883 65.3 54.4 -66.8 -42.7 -3.8 17.4 27.5 88 89 A K H > S+ 0 0 64 -16,-2.5 4,-2.6 -3,-0.3 -1,-0.2 0.947 111.8 45.0 -54.3 -51.2 -3.5 18.0 31.2 89 90 A D H > S+ 0 0 101 -17,-0.4 4,-2.1 1,-0.2 -2,-0.2 0.909 113.9 48.5 -62.9 -45.2 -6.1 15.2 32.0 90 91 A K H X S+ 0 0 83 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.892 116.2 41.7 -64.3 -42.0 -4.6 12.7 29.5 91 92 A V H X S+ 0 0 0 -4,-2.5 4,-2.9 -5,-0.2 5,-0.4 0.873 112.3 55.0 -74.8 -36.7 -1.0 13.1 30.7 92 93 A E H X S+ 0 0 57 -4,-2.6 4,-2.0 -5,-0.3 5,-0.2 0.926 107.0 49.9 -62.0 -43.7 -2.0 13.2 34.4 93 94 A Q H < S+ 0 0 149 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.815 118.1 40.3 -69.5 -25.4 -3.8 9.9 34.2 94 95 A R H < S+ 0 0 119 -4,-1.0 -2,-0.2 -5,-0.2 -1,-0.2 0.833 123.5 33.2 -91.7 -34.8 -0.8 8.3 32.5 95 96 A V H < S- 0 0 39 -4,-2.9 -3,-0.2 2,-0.2 -2,-0.2 0.700 92.3-137.6 -93.4 -22.4 2.2 9.7 34.4 96 97 A G < + 0 0 64 -4,-2.0 -4,-0.1 -5,-0.4 -3,-0.1 0.754 66.7 107.5 71.6 25.4 0.6 10.0 37.8 97 98 A L S S- 0 0 45 -6,-0.3 -1,-0.3 -5,-0.2 -2,-0.2 -0.919 81.0 -90.8-126.8 153.8 2.1 13.4 38.5 98 99 A P - 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