==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-DEC-08 3FGU . COMPND 2 MOLECULE: GLUCOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.PETIT,A.LAGARDE,J.A.BOUTIN,G.FERRY,L.VUILLARD . 447 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19066.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 330 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 24 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 163 36.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 0 2 0 0 3 1 0 0 2 1 0 1 0 2 0 1 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 2 0 0 0 3 0 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 0 0 1 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 5 A N > 0 0 137 0, 0.0 4,-1.3 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 124.6 -59.4 15.3 -16.0 2 6 A L H > + 0 0 151 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.725 360.0 65.7 -62.3 -28.2 -56.6 16.9 -13.9 3 7 A Y H > S+ 0 0 150 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.884 103.2 43.2 -61.7 -37.4 -59.4 17.0 -11.3 4 8 A F H > S+ 0 0 113 -3,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.773 110.1 54.8 -81.9 -27.2 -59.3 13.2 -11.2 5 9 A Q H X S+ 0 0 81 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.891 110.5 47.8 -67.1 -40.5 -55.5 12.9 -11.2 6 10 A G H X S+ 0 0 29 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.768 107.3 54.7 -71.7 -29.7 -55.5 15.3 -8.1 7 11 A M H X S+ 0 0 50 -4,-1.1 4,-1.5 2,-0.2 -1,-0.2 0.859 107.8 50.4 -69.7 -37.4 -58.3 13.3 -6.4 8 12 A K H X S+ 0 0 78 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.903 111.1 49.7 -60.0 -45.5 -56.0 10.2 -6.8 9 13 A K H X S+ 0 0 68 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.825 107.9 52.8 -65.0 -35.5 -53.2 12.2 -5.3 10 14 A E H X S+ 0 0 112 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.847 110.2 48.2 -65.4 -37.9 -55.3 13.3 -2.3 11 15 A K H X S+ 0 0 114 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.866 109.0 52.9 -72.7 -40.9 -56.3 9.7 -1.5 12 16 A V H X S+ 0 0 0 -4,-1.9 4,-3.4 2,-0.2 5,-0.2 0.933 107.3 52.9 -54.5 -49.0 -52.7 8.6 -1.7 13 17 A E H X S+ 0 0 72 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.884 105.7 53.5 -59.8 -38.4 -51.7 11.3 0.8 14 18 A Q H < S+ 0 0 130 -4,-1.5 4,-0.3 2,-0.2 -1,-0.2 0.934 114.1 41.9 -60.1 -46.6 -54.4 10.1 3.2 15 19 A I H >< S+ 0 0 21 -4,-1.9 3,-1.4 1,-0.2 -2,-0.2 0.939 115.4 50.1 -63.8 -46.9 -52.9 6.6 3.0 16 20 A L H >< S+ 0 0 3 -4,-3.4 3,-2.1 1,-0.3 4,-0.2 0.758 90.3 78.5 -67.9 -24.4 -49.3 7.9 3.2 17 21 A A G >< S+ 0 0 38 -4,-2.2 3,-1.7 1,-0.3 -1,-0.3 0.737 77.7 77.4 -52.7 -24.8 -50.1 10.1 6.3 18 22 A E G < S+ 0 0 96 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.760 85.1 59.8 -58.5 -29.5 -49.7 6.9 8.2 19 23 A F G < S+ 0 0 7 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.2 0.549 81.9 111.9 -76.4 -9.6 -45.9 7.1 8.0 20 24 A Q < - 0 0 126 -3,-1.7 2,-0.4 -4,-0.2 345,-0.0 -0.398 47.4-168.2 -67.7 139.9 -45.9 10.5 9.8 21 25 A L - 0 0 24 -2,-0.1 -2,-0.0 4,-0.0 -3,-0.0 -0.995 16.7-136.5-125.5 124.1 -44.4 10.6 13.2 22 26 A Q > - 0 0 108 -2,-0.4 4,-1.6 1,-0.1 3,-0.4 -0.241 29.8-104.6 -69.7 164.5 -44.9 13.8 15.3 23 27 A E H > S+ 0 0 91 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.858 124.5 53.2 -60.8 -34.6 -42.0 15.4 17.2 24 28 A E H > S+ 0 0 99 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.789 102.9 57.4 -70.0 -30.2 -43.6 14.0 20.5 25 29 A D H > S+ 0 0 36 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.913 108.1 47.7 -62.4 -44.5 -43.7 10.5 18.9 26 30 A L H X S+ 0 0 6 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.879 109.6 51.3 -63.6 -40.6 -39.9 10.8 18.4 27 31 A K H X S+ 0 0 76 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.864 110.6 50.8 -65.5 -34.9 -39.3 12.0 21.9 28 32 A K H X S+ 0 0 73 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.940 111.6 45.7 -65.9 -49.9 -41.3 9.0 23.1 29 33 A V H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.920 113.0 52.1 -58.5 -43.8 -39.2 6.6 21.0 30 34 A M H X S+ 0 0 18 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.923 110.8 46.3 -57.6 -50.9 -36.1 8.3 22.2 31 35 A R H X S+ 0 0 115 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.894 113.7 48.3 -59.2 -46.1 -37.1 8.0 25.9 32 36 A R H X S+ 0 0 71 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.921 112.0 50.3 -58.8 -45.2 -38.0 4.3 25.4 33 37 A M H X S+ 0 0 0 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.856 110.3 49.3 -58.4 -42.2 -34.7 3.7 23.7 34 38 A Q H X S+ 0 0 44 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.867 110.0 52.0 -66.5 -40.1 -32.8 5.4 26.5 35 39 A K H X S+ 0 0 135 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.915 109.7 48.5 -61.9 -43.3 -34.7 3.2 29.0 36 40 A E H X S+ 0 0 12 -4,-2.4 4,-2.2 2,-0.2 15,-0.3 0.885 109.4 52.9 -66.9 -36.5 -33.7 0.1 27.0 37 41 A M H X S+ 0 0 0 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.902 107.3 52.2 -63.0 -43.0 -30.1 1.2 26.9 38 42 A D H X S+ 0 0 67 -4,-2.3 4,-0.7 1,-0.2 3,-0.3 0.924 110.6 49.0 -53.3 -46.5 -30.1 1.6 30.7 39 43 A R H >< S+ 0 0 45 -4,-1.8 3,-0.8 1,-0.2 6,-0.3 0.896 106.7 53.9 -64.9 -43.4 -31.5 -1.9 31.1 40 44 A G H 3< S+ 0 0 1 -4,-2.2 -1,-0.2 11,-0.3 -2,-0.2 0.766 106.6 53.1 -63.8 -28.7 -28.9 -3.6 28.7 41 45 A L H 3< S+ 0 0 6 -4,-1.3 193,-1.3 -3,-0.3 194,-0.4 0.692 95.3 84.1 -78.3 -21.1 -26.0 -2.1 30.7 42 46 A R S > S+ 0 0 7 -3,-0.4 4,-2.0 -6,-0.3 3,-0.5 0.491 91.7 100.5-114.1 -8.5 -31.7 -6.5 33.6 46 50 A H T 3< S+ 0 0 14 -4,-2.1 -3,-0.1 1,-0.2 -2,-0.1 0.849 80.9 53.1 -50.8 -46.2 -29.2 -7.4 30.8 47 51 A E T 34 S+ 0 0 179 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.1 0.864 116.7 37.9 -62.9 -38.7 -30.7 -10.8 29.8 48 52 A E T <4 S+ 0 0 120 -3,-0.5 -1,-0.2 -4,-0.1 -2,-0.2 0.762 92.3 106.8 -85.0 -22.3 -34.2 -9.5 29.3 49 53 A A < - 0 0 1 -4,-2.0 -13,-0.0 -10,-0.2 -12,-0.0 -0.303 57.7-155.3 -58.1 130.5 -33.1 -6.2 27.7 50 54 A S S S+ 0 0 11 1,-0.2 2,-0.8 2,-0.0 201,-0.2 0.697 88.4 63.7 -81.0 -20.8 -33.8 -6.1 24.0 51 55 A V S S- 0 0 0 -15,-0.3 -11,-0.3 1,-0.1 197,-0.2 -0.913 77.7-165.3-104.1 104.0 -31.1 -3.5 23.5 52 56 A K - 0 0 47 -2,-0.8 196,-0.2 196,-0.4 195,-0.1 0.638 7.9-154.9 -80.0 -18.5 -28.1 -5.5 24.6 53 57 A M - 0 0 2 194,-1.8 194,-0.3 1,-0.2 195,-0.1 0.918 23.3-159.3 47.8 60.6 -25.4 -2.8 25.1 54 58 A L E -A 246 0A 1 192,-2.9 192,-3.0 1,-0.1 -1,-0.2 -0.601 14.3-121.8 -85.1 122.2 -22.6 -5.3 24.5 55 59 A P E -A 245 0A 10 0, 0.0 93,-0.7 0, 0.0 190,-0.2 -0.366 21.0-169.3 -56.8 135.6 -19.0 -4.5 25.7 56 60 A T E - 0 0 7 188,-1.8 138,-0.1 2,-0.2 189,-0.1 0.538 30.5-129.4-103.3 -14.5 -16.5 -4.5 22.9 57 61 A Y E + 0 0 56 187,-0.4 2,-0.6 1,-0.2 94,-0.2 0.661 68.1 129.2 56.1 24.2 -13.3 -4.3 24.9 58 62 A V E - 0 0 15 186,-0.3 186,-2.8 92,-0.1 -1,-0.2 -0.952 45.8-163.1-100.0 117.8 -12.1 -1.4 22.8 59 63 A R E -A 243 0A 100 -2,-0.6 184,-0.2 184,-0.2 182,-0.1 -0.512 33.5-120.1-106.5 167.5 -11.1 1.2 25.4 60 64 A S S S+ 0 0 51 182,-2.0 183,-0.1 1,-0.2 -1,-0.1 0.874 111.0 48.1 -69.0 -44.7 -10.4 4.9 25.7 61 65 A T 0 0 119 181,-0.4 -1,-0.2 1,-0.2 -2,-0.1 -0.793 360.0 360.0-101.8 88.3 -6.8 4.3 26.9 62 66 A P 0 0 107 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.554 360.0 360.0 -90.3 360.0 -5.5 1.7 24.4 63 ! 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 64 69 A S 0 0 51 0, 0.0 383,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 166.9 0.1 0.2 19.4 65 70 A E - 0 0 93 381,-1.9 2,-0.2 378,-0.1 381,-0.1 -0.335 360.0-144.1 -94.8 171.3 2.1 -1.6 16.6 66 71 A V + 0 0 81 -2,-0.1 2,-0.2 2,-0.0 21,-0.2 -0.780 47.3 60.9-127.6 175.1 2.9 -0.6 13.0 67 72 A G E S-F 86 0B 24 19,-2.0 19,-2.0 -2,-0.2 2,-0.3 -0.651 85.7 -8.5 107.0-161.9 3.3 -2.4 9.6 68 73 A D E -F 85 0B 76 -2,-0.2 2,-0.3 17,-0.2 17,-0.2 -0.553 58.1-177.8 -81.6 132.3 1.1 -4.5 7.3 69 74 A F E -F 84 0B 1 15,-2.5 15,-2.6 -2,-0.3 2,-0.5 -0.927 19.0-141.0-128.4 150.2 -2.4 -5.6 8.5 70 75 A L E -Fg 83 138B 0 67,-2.1 69,-2.8 -2,-0.3 2,-0.4 -0.956 17.8-162.0-111.8 132.1 -5.1 -7.8 7.0 71 76 A S E -Fg 82 139B 3 11,-2.9 11,-2.0 -2,-0.5 2,-0.4 -0.944 4.4-165.9-118.0 133.7 -8.7 -6.7 7.4 72 77 A L E -Fg 81 140B 0 67,-2.8 69,-3.4 -2,-0.4 2,-0.4 -0.918 3.5-167.4-111.2 145.1 -11.7 -8.9 6.9 73 78 A D E +Fg 80 141B 18 7,-2.0 7,-2.1 -2,-0.4 2,-0.4 -0.944 11.4 168.2-138.3 116.6 -15.3 -7.6 6.7 74 79 A L E + g 0 142B 0 67,-2.5 69,-2.6 -2,-0.4 5,-0.1 -0.983 40.1 88.6-129.9 122.9 -18.4 -9.7 6.9 75 80 A G S S+ 0 0 4 3,-0.4 88,-0.1 -2,-0.4 -1,-0.1 0.253 77.2 50.1-176.7 -36.5 -21.9 -8.2 7.3 76 81 A G S S- 0 0 19 2,-0.6 -1,-0.3 -3,-0.1 67,-0.0 -0.084 105.1 -73.1 -98.6-157.3 -23.5 -7.4 3.9 77 82 A T S S+ 0 0 89 -3,-0.1 26,-2.0 -2,-0.1 2,-0.4 0.722 115.9 63.8 -72.2 -18.5 -24.0 -9.4 0.7 78 83 A N E S- H 0 102B 40 24,-0.2 -2,-0.6 22,-0.0 2,-0.5 -0.869 70.5-146.8-117.7 138.4 -20.2 -9.0 0.1 79 84 A F E - H 0 101B 0 22,-2.8 22,-2.9 -2,-0.4 2,-0.4 -0.873 22.2-159.2 -99.9 128.6 -17.2 -10.2 2.0 80 85 A R E -FH 73 100B 104 -7,-2.1 -7,-2.0 -2,-0.5 2,-0.4 -0.926 12.2-174.0-119.2 132.9 -14.2 -7.8 1.8 81 86 A V E +FH 72 99B 1 18,-3.3 18,-2.8 -2,-0.4 2,-0.3 -0.955 14.2 172.7-118.2 142.2 -10.5 -8.4 2.4 82 87 A M E -FH 71 98B 9 -11,-2.0 -11,-2.9 -2,-0.4 2,-0.5 -0.990 31.7-135.2-155.0 143.0 -7.9 -5.7 2.4 83 88 A L E -FH 70 97B 11 14,-2.5 13,-2.3 -2,-0.3 14,-1.6 -0.848 32.4-175.2 -91.6 127.2 -4.3 -5.0 3.2 84 89 A V E -FH 69 95B 0 -15,-2.6 -15,-2.5 -2,-0.5 2,-0.5 -0.988 19.8-140.1-130.8 139.6 -3.8 -1.8 5.2 85 90 A K E -FH 68 94B 92 9,-1.8 9,-1.4 -2,-0.4 2,-0.4 -0.871 15.6-163.4 -98.7 125.7 -0.7 -0.0 6.4 86 91 A V E +FH 67 93B 2 -19,-2.0 -19,-2.0 -2,-0.5 2,-0.3 -0.931 21.2 155.8-110.6 129.9 -0.7 1.4 10.0 87 92 A G E H 0 92B 7 5,-1.9 5,-2.5 -2,-0.4 -22,-0.0 -0.932 360.0 360.0-150.0 170.3 1.9 4.0 10.9 88 93 A E 0 0 120 -2,-0.3 -1,-0.1 3,-0.2 5,-0.1 0.745 360.0 360.0 -92.7 360.0 2.6 6.9 13.3 89 ! 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 90 97 A G 0 0 62 0, 0.0 2,-0.4 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0-150.2 -1.4 8.9 16.7 91 98 A Q - 0 0 55 -5,-0.0 -3,-0.2 352,-0.0 2,-0.2 -0.643 360.0-160.6 -93.4 127.3 -1.8 6.2 14.0 92 99 A W E -H 87 0B 100 -5,-2.5 -5,-1.9 -2,-0.4 2,-0.3 -0.597 10.1-160.6 -88.8 160.3 -2.8 6.8 10.4 93 100 A S E -H 86 0B 13 -2,-0.2 2,-0.4 -7,-0.2 -7,-0.2 -0.994 5.5-168.8-144.9 145.7 -4.1 3.9 8.2 94 101 A V E -H 85 0B 61 -9,-1.4 -9,-1.8 -2,-0.3 2,-0.6 -0.994 25.1-125.7-142.6 128.6 -4.4 3.5 4.5 95 102 A K E +H 84 0B 75 -2,-0.4 -11,-0.2 -11,-0.2 3,-0.1 -0.642 38.2 161.7 -71.6 117.7 -6.1 1.0 2.2 96 103 A T E + 0 0 48 -13,-2.3 2,-0.3 -2,-0.6 -12,-0.2 0.728 64.4 17.6-113.6 -36.2 -3.4 -0.3 -0.1 97 104 A K E S+H 83 0B 96 -14,-1.6 -14,-2.5 2,-0.0 -1,-0.4 -0.994 70.7 172.4-137.6 143.5 -4.8 -3.5 -1.5 98 105 A H E +H 82 0B 111 -2,-0.3 2,-0.3 -16,-0.2 -16,-0.2 -0.999 10.5 171.2-149.8 140.5 -8.5 -4.6 -1.6 99 106 A Q E -H 81 0B 47 -18,-2.8 -18,-3.3 -2,-0.3 2,-0.3 -0.971 11.7-159.6-149.6 144.8 -10.8 -7.2 -2.9 100 107 A M E -H 80 0B 91 -2,-0.3 2,-0.4 -20,-0.2 -20,-0.2 -0.911 6.5-157.7-121.9 150.1 -14.4 -8.1 -2.3 101 108 A Y E -H 79 0B 24 -22,-2.9 -22,-2.8 -2,-0.3 2,-0.4 -0.959 20.4-120.5-129.2 140.9 -16.2 -11.3 -3.0 102 109 A S E -H 78 0B 86 -2,-0.4 -24,-0.2 -24,-0.2 -25,-0.1 -0.670 30.2-129.7 -79.5 130.0 -19.9 -12.1 -3.5 103 110 A I - 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