==== 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 22-DEC-80 1HKG . COMPND 2 MOLECULE: HEXOKINASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR W.S.BENNETT JR.,T.A.STEITZ . 457 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18325.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 258 56.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 4.4 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 . 0 0.0 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 . 1 0.2 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 . 41 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 22.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.0 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 1 4 0 1 1 0 1 3 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 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 0 0 0 PARALLEL BRIDGES PER LADDER . 6 1 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 A 0 0 55 0, 0.0 2,-0.7 0, 0.0 349,-0.1 0.000 360.0 360.0 360.0 -66.3 47.5 -4.5 12.6 2 3 A A > - 0 0 59 347,-0.2 2,-4.4 1,-0.1 3,-3.2 -0.731 360.0-115.8-109.5 82.7 50.2 -5.3 15.2 3 4 A S T 3 S+ 0 0 111 -2,-0.7 -1,-0.1 1,-0.3 5,-0.1 0.399 123.4 54.5 21.5 -46.8 48.9 -8.2 17.6 4 5 A X T 3> S+ 0 0 98 -2,-4.4 4,-0.5 2,-0.2 -1,-0.3 0.839 118.2 33.3 -67.9 -38.0 49.2 -5.3 20.3 5 6 A D H X> S+ 0 0 20 -3,-3.2 4,-3.1 2,-0.2 3,-0.5 0.819 106.9 66.8 -82.4 -47.7 47.0 -3.4 18.1 6 7 A X H 34 S+ 0 0 63 1,-0.3 4,-0.5 2,-0.2 -2,-0.2 0.500 106.1 47.8 -55.0 -4.1 45.3 -6.4 17.0 7 8 A S H 3> S+ 0 0 57 -5,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.680 103.7 54.9-107.7 -34.8 44.1 -6.4 20.6 8 9 A L H X S+ 0 0 11 -4,-3.1 3,-2.5 1,-0.2 4,-1.1 0.994 104.3 62.0 -57.0 -54.9 40.9 -3.7 17.8 10 11 A E H >4 S+ 0 0 114 -4,-0.5 3,-1.0 -5,-0.3 -1,-0.2 0.816 99.4 52.4 -33.7 -55.9 39.5 -6.8 19.5 11 12 A V H 3X S+ 0 0 69 -4,-1.6 4,-0.9 1,-0.3 -1,-0.3 0.560 107.2 49.3 -67.7 -19.7 38.0 -5.0 22.3 12 13 A H H > - 0 0 36 0, 0.0 4,-2.2 0, 0.0 3,-1.0 -0.679 35.9-100.3-109.8 162.9 24.2 -9.3 18.5 20 21 A P H 3> S+ 0 0 44 0, 0.0 4,-3.3 0, 0.0 5,-0.3 0.870 120.7 53.6 -29.4 -78.2 20.9 -11.0 18.2 21 22 A X H 34 S+ 0 0 88 1,-0.2 4,-0.3 2,-0.2 5,-0.1 0.832 116.7 41.4 -33.9 -42.4 20.5 -11.7 21.8 22 23 A I H X> S+ 0 0 49 -3,-1.0 3,-1.3 2,-0.2 4,-0.7 0.981 116.8 47.0 -67.8 -54.9 21.2 -7.9 22.3 23 24 A L H 3X S+ 0 0 0 -4,-2.2 4,-0.9 1,-0.3 3,-0.4 0.793 111.8 54.0 -50.8 -44.0 19.0 -6.9 19.4 24 25 A Q H 3< S+ 0 0 100 -4,-3.3 4,-0.3 2,-0.2 -1,-0.3 0.329 107.8 45.9 -77.9 -3.3 16.2 -9.3 20.7 25 26 A A H <4 S+ 0 0 63 -3,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.539 113.0 51.8-113.7 -10.1 16.0 -7.9 24.2 26 27 A V H X S+ 0 0 3 -4,-0.7 4,-1.5 -3,-0.4 -2,-0.2 0.673 111.0 48.8 -89.7 -35.8 16.0 -4.5 22.7 27 28 A V T < S+ 0 0 5 -4,-0.9 -3,-0.1 2,-0.2 -2,-0.1 0.604 109.8 49.9 -79.6 -29.5 13.0 -5.7 20.3 28 29 A S T > S+ 0 0 82 -4,-0.3 4,-0.9 2,-0.1 3,-0.4 0.727 115.4 41.9 -85.3 -30.6 11.1 -7.1 23.0 29 30 A I H > S+ 0 0 34 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.901 103.1 68.0 -81.4 -36.2 11.4 -3.8 25.2 30 31 A A H X S+ 0 0 9 -4,-1.5 4,-1.4 1,-0.2 -1,-0.2 0.619 100.7 55.0 -49.4 -20.1 10.8 -1.6 22.0 31 32 A T H > S+ 0 0 32 -3,-0.4 4,-3.2 2,-0.2 5,-0.4 0.949 105.8 45.2 -81.0 -62.7 7.3 -3.2 22.3 32 33 A T H >X S+ 0 0 79 -4,-0.9 4,-3.5 1,-0.2 3,-1.6 0.916 117.3 44.9 -35.3 -80.7 6.6 -2.2 25.6 33 34 A R H 3X S+ 0 0 19 -4,-1.8 4,-1.0 1,-0.3 11,-0.4 0.647 116.1 49.1 -28.1 -50.2 7.9 1.2 24.8 34 35 A X H 3< S+ 0 0 7 -4,-1.4 -1,-0.3 2,-0.2 -2,-0.2 0.781 115.6 41.0 -66.6 -42.1 5.8 1.2 21.4 35 36 A D H < S+ 0 0 63 -4,-3.5 3,-0.9 -5,-0.4 2,-0.8 0.871 95.1 42.2 -47.5 -47.8 3.5 2.6 26.0 37 38 A X T 3< S+ 0 0 26 -4,-1.0 3,-0.1 1,-0.2 5,-0.1 -0.943 94.5 67.0-107.9 130.3 2.3 5.6 24.1 38 39 A D T 34 S+ 0 0 13 -2,-0.8 -1,-0.2 1,-0.7 -2,-0.2 -0.431 100.9 74.9 157.4 -32.6 -0.6 4.9 22.5 39 40 A S S << S- 0 0 52 -3,-0.9 2,-1.6 -4,-0.6 -1,-0.7 0.082 117.8 -68.7 -83.2-167.6 -1.7 4.6 26.0 40 41 A A S S- 0 0 100 -3,-0.1 2,-0.2 186,-0.0 -1,-0.1 -0.609 112.7 -7.2 -88.3 80.7 -2.3 7.4 28.3 41 42 A A + 0 0 66 -2,-1.6 -2,-0.4 1,-0.1 -3,-0.2 -0.555 65.1 177.8 120.4 175.8 1.5 8.5 28.6 42 43 A A - 0 0 30 -2,-0.2 -1,-0.1 -5,-0.1 -5,-0.0 -0.082 39.1-136.5 144.0 115.1 4.7 7.2 27.4 43 44 A S S S+ 0 0 60 1,-0.1 -1,-0.1 -2,-0.1 204,-0.0 0.793 96.0 75.1 -54.6 -36.4 8.5 8.0 27.3 44 45 A I S S- 0 0 6 -11,-0.4 -7,-0.1 1,-0.1 201,-0.1 -0.713 91.1-125.0 -85.0 110.5 8.5 6.8 23.4 45 46 A P + 0 0 42 0, 0.0 199,-0.2 0, 0.0 198,-0.1 0.615 35.8 172.9 -16.3-100.6 6.8 9.8 21.2 46 47 A M + 0 0 18 197,-2.7 197,-0.2 196,-0.5 198,-0.1 1.000 6.6 159.5 76.9 75.9 3.7 8.3 18.9 47 48 A V E -A 242 0A 21 195,-1.6 195,-2.0 193,-0.1 -1,-0.2 -0.972 39.1-114.5-125.8 127.4 1.7 10.9 17.0 48 49 A P E -A 241 0A 10 0, 0.0 193,-0.4 0, 0.0 94,-0.1 -0.339 11.9-130.9 -66.2 159.5 -0.4 10.0 14.0 49 50 A G - 0 0 1 191,-6.0 192,-0.2 2,-0.2 138,-0.1 0.309 45.1-122.3 -85.5 -4.5 0.3 11.2 10.8 50 51 A W + 0 0 15 1,-0.1 2,-0.7 190,-0.1 191,-0.1 0.540 68.5 139.4 61.1 33.8 -3.3 12.0 11.0 51 52 A V + 0 0 2 189,-0.4 189,-1.7 1,-0.1 -2,-0.2 -0.915 17.2 163.2-108.2 91.3 -3.8 10.0 7.8 52 53 A L + 0 0 22 -2,-0.7 -1,-0.1 187,-0.2 2,-0.1 0.451 53.9 75.3 -84.7 -14.8 -7.0 8.0 8.3 53 54 A K S S- 0 0 27 386,-0.1 2,-0.5 -3,-0.1 187,-0.1 -0.451 77.0-126.2 -97.4 177.3 -7.5 7.2 4.7 54 55 A Q - 0 0 96 -2,-0.1 -2,-0.1 184,-0.1 140,-0.0 -0.845 34.8-106.7-130.5 96.0 -5.5 4.5 2.6 55 56 A V - 0 0 12 -2,-0.5 384,-0.0 1,-0.2 383,-0.0 0.118 26.3-154.5 -23.5 121.2 -4.1 5.7 -0.5 56 57 A X - 0 0 88 1,-0.0 -1,-0.2 0, 0.0 2,-0.0 0.422 19.4-137.5 -83.1 -7.6 -6.3 4.3 -3.2 57 58 A G S S+ 0 0 0 1,-0.2 26,-9.9 25,-0.1 27,-0.4 0.394 98.2 68.6 70.2 -22.5 -3.5 4.3 -6.0 58 59 A S S S+ 0 0 87 24,-0.4 24,-0.4 25,-0.2 -1,-0.2 0.441 72.8 123.3-106.7 3.8 -6.2 5.7 -8.5 59 60 A Q - 0 0 23 22,-0.1 25,-0.3 379,-0.0 2,-0.3 -0.208 43.5-167.9 -57.9 153.0 -6.4 9.1 -6.6 60 61 A A + 0 0 74 381,-0.2 2,-0.3 20,-0.1 21,-0.1 -0.990 21.6 80.0-156.8 146.9 -5.6 12.3 -8.8 61 62 A G - 0 0 29 19,-0.3 19,-0.4 -2,-0.3 2,-0.4 -0.976 63.9 -55.2 159.5-166.0 -4.9 16.1 -8.8 62 63 A S + 0 0 51 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.944 56.1 155.3-112.7 125.8 -2.4 19.1 -8.3 63 64 A F B -B 78 0B 17 15,-1.0 15,-0.9 -2,-0.4 2,-0.3 -0.855 27.9-132.2-147.3 174.7 -0.4 19.4 -5.0 64 65 A L + 0 0 3 -2,-0.3 69,-0.5 13,-0.2 2,-0.3 -0.845 18.8 169.0-135.3 166.0 2.5 20.7 -3.5 65 66 A A - 0 0 0 11,-0.3 11,-0.9 -2,-0.3 2,-0.3 -0.926 8.8-174.3-166.1 171.8 5.4 19.7 -1.2 66 67 A I B -C 75 0C 3 366,-0.6 69,-0.5 -2,-0.3 2,-0.5 -0.874 20.1-137.1-174.1 147.5 8.6 20.7 0.1 67 68 A V - 0 0 43 7,-0.9 2,-0.6 -2,-0.3 7,-0.4 -0.900 23.3-167.3-125.3 102.9 11.1 19.0 2.3 68 69 A M + 0 0 7 -2,-0.5 69,-0.8 67,-0.3 2,-0.3 -0.815 49.5 49.8-110.9 122.6 12.7 21.1 5.2 69 70 A G B > S+D 72 0D 6 3,-0.6 3,-0.7 -2,-0.6 25,-0.1 -0.722 81.7 64.4 172.6-116.9 15.7 20.3 7.3 70 71 A G T 3 S- 0 0 77 -2,-0.3 2,-0.1 1,-0.2 3,-0.1 0.483 113.7 -60.3 7.2-121.1 18.9 19.1 5.8 71 72 A G T 3 S+ 0 0 41 1,-0.1 -1,-0.2 22,-0.0 2,-0.2 -0.567 113.3 40.4-146.5 75.0 20.5 21.9 3.7 72 73 A D B < -D 69 0D 83 -3,-0.7 -3,-0.6 21,-0.2 2,-0.4 -0.579 66.8-134.6 150.2 144.4 18.0 22.7 0.9 73 74 A L B -E 92 0E 2 19,-1.0 19,-0.9 -2,-0.2 2,-0.4 -0.994 25.2-147.9-125.6 127.3 14.2 23.0 0.7 74 75 A E - 0 0 54 -2,-0.4 -7,-0.9 -7,-0.4 2,-0.3 -0.878 9.9-160.9-115.2 147.6 12.2 21.4 -2.3 75 76 A V B +C 66 0C 3 -2,-0.4 15,-0.4 15,-0.2 2,-0.2 -0.839 16.1 163.5-117.0 136.5 9.2 22.1 -4.2 76 77 A I - 0 0 4 -11,-0.9 -11,-0.3 -2,-0.3 2,-0.2 -0.930 16.2-163.9-163.1 133.0 7.1 19.7 -6.3 77 78 A L - 0 0 19 11,-0.9 11,-0.5 -2,-0.2 2,-0.3 -0.712 22.8-171.5-108.7 159.6 3.6 19.7 -7.8 78 79 A I B -B 63 0B 5 -15,-0.9 -15,-1.0 -2,-0.2 2,-0.3 -0.998 29.9-147.3-162.7 166.1 1.9 16.6 -9.0 79 80 A X - 0 0 57 -2,-0.3 -17,-0.2 -17,-0.2 -19,-0.1 -0.966 19.3-154.1-136.6 101.8 -0.8 14.8 -10.7 80 81 A L + 0 0 4 -19,-0.4 -19,-0.3 -2,-0.3 5,-0.2 -0.215 19.1 171.3 -65.4 162.7 -1.8 11.4 -9.5 81 82 A A - 0 0 44 3,-0.8 -21,-0.1 -24,-0.2 -22,-0.1 -0.283 63.3 -25.8 172.0 96.3 -3.3 9.3 -12.2 82 83 A G S S- 0 0 38 -24,-0.4 -24,-0.4 1,-0.2 -25,-0.1 0.976 129.3 -35.2 55.7 74.8 -4.1 5.6 -11.6 83 84 A Y S S+ 0 0 122 -26,-9.9 2,-0.4 -24,-0.2 -1,-0.2 0.762 121.2 113.9 61.0 21.7 -1.6 4.6 -8.9 84 85 A Q - 0 0 108 -27,-0.4 -3,-0.8 -25,-0.3 2,-0.3 -0.985 50.4-152.2-138.6 135.6 1.0 7.1 -10.7 85 86 A E - 0 0 60 -2,-0.4 -5,-0.2 -5,-0.2 2,-0.1 -0.808 9.3-173.0-110.7 144.2 2.7 10.4 -9.7 86 87 A S + 0 0 68 -2,-0.3 2,-0.1 2,-0.0 -9,-0.1 -0.590 20.6 162.0-140.5 71.2 4.0 13.4 -11.6 87 88 A S - 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