==== 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 LYASE 12-FEB-10 3LS6 . COMPND 2 MOLECULE: 3,4-DIHYDROXY-2-BUTANONE 4-PHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR P.KUMAR,S.KARTHIKEYAN . 408 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15783.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 269 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 13.7 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 23 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 29.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.5 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 0 2 0 0 1 5 0 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 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 . 8 0 4 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 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 7 A S 0 0 143 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 88.2 -25.4 -3.5 41.7 2 8 A S - 0 0 105 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.977 360.0-166.1-145.2 153.0 -23.9 -0.5 40.0 3 9 A F + 0 0 175 -2,-0.3 6,-0.1 2,-0.1 2,-0.0 -0.999 49.1 1.8-140.7 145.1 -21.6 2.5 40.5 4 10 A G S S- 0 0 38 -2,-0.3 -2,-0.0 4,-0.1 3,-0.0 -0.145 88.5 -46.4 84.8-176.3 -20.8 5.7 38.7 5 11 A T > - 0 0 73 1,-0.1 4,-2.0 193,-0.0 5,-0.1 -0.502 50.0-109.5 -88.4 161.2 -22.1 7.3 35.6 6 12 A P H > S+ 0 0 37 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.898 118.9 57.5 -50.5 -42.9 -22.7 5.6 32.2 7 13 A F H > S+ 0 0 89 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.884 106.0 46.8 -62.7 -42.0 -19.7 7.6 30.9 8 14 A E H > S+ 0 0 89 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.897 109.0 54.6 -66.6 -39.4 -17.3 6.2 33.4 9 15 A R H X S+ 0 0 48 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.920 110.6 47.1 -59.2 -42.7 -18.5 2.7 32.9 10 16 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.942 113.3 47.5 -61.4 -48.9 -17.7 3.1 29.1 11 17 A E H X S+ 0 0 83 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.903 110.8 52.0 -62.1 -40.3 -14.3 4.6 29.8 12 18 A L H X S+ 0 0 79 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.894 109.6 50.1 -58.9 -42.9 -13.5 1.8 32.3 13 19 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.900 108.5 51.5 -64.4 -42.0 -14.4 -0.7 29.6 14 20 A L H X S+ 0 0 3 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.941 111.5 48.2 -59.6 -45.9 -12.2 1.0 27.0 15 21 A D H X S+ 0 0 68 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.907 109.4 53.4 -57.2 -45.9 -9.3 0.9 29.5 16 22 A A H <>S+ 0 0 0 -4,-2.3 5,-3.0 2,-0.2 4,-0.3 0.914 108.4 49.2 -57.9 -43.8 -10.1 -2.8 30.2 17 23 A L H ><5S+ 0 0 1 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.938 111.7 48.1 -63.1 -45.2 -9.9 -3.7 26.5 18 24 A R H 3<5S+ 0 0 125 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.821 109.0 55.3 -63.1 -31.7 -6.5 -1.9 26.0 19 25 A E T 3<5S- 0 0 122 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.428 120.8-108.0 -81.8 -1.9 -5.2 -3.6 29.1 20 26 A G T < 5S+ 0 0 29 -3,-1.4 -3,-0.2 -4,-0.3 2,-0.2 0.700 77.5 130.5 82.4 21.2 -6.0 -7.0 27.7 21 27 A R < - 0 0 55 -5,-3.0 -1,-0.3 -6,-0.2 170,-0.1 -0.583 58.2-110.2 -99.7 163.1 -8.9 -7.7 30.0 22 28 A G - 0 0 3 167,-0.3 170,-1.5 -2,-0.2 2,-0.4 -0.448 22.6-137.7 -82.3 168.8 -12.4 -8.8 28.9 23 29 A V E -Ab 38 192A 0 15,-2.3 15,-2.6 168,-0.2 2,-0.7 -0.988 4.5-144.0-121.6 141.8 -15.5 -6.7 29.0 24 30 A M E -Ab 37 193A 0 168,-3.0 170,-2.3 -2,-0.4 2,-0.6 -0.924 20.5-164.2-101.8 112.5 -18.9 -8.0 30.2 25 31 A V E -Ab 36 194A 1 11,-2.6 11,-2.3 -2,-0.7 2,-0.5 -0.884 2.5-162.1-106.3 120.0 -21.6 -6.3 28.1 26 32 A L E -Ab 35 195A 15 168,-2.4 170,-2.4 -2,-0.6 171,-0.3 -0.849 6.0-155.7-100.6 128.5 -25.2 -6.4 29.3 27 33 A D - 0 0 10 7,-2.0 119,-0.1 -2,-0.5 118,-0.0 -0.299 46.6 -54.6 -89.6-177.0 -28.0 -5.7 26.8 28 34 A D > > - 0 0 75 117,-0.4 3,-2.4 1,-0.2 5,-1.8 -0.322 41.9-130.5 -61.8 136.6 -31.4 -4.4 27.8 29 35 A E T 3 5S+ 0 0 145 1,-0.3 -1,-0.2 3,-0.1 -2,-0.0 0.782 112.9 50.9 -53.8 -27.5 -33.3 -6.5 30.4 30 36 A D T 3 5S+ 0 0 151 2,-0.0 -1,-0.3 3,-0.0 -2,-0.1 0.380 111.4 49.1 -92.4 1.6 -36.2 -6.3 27.9 31 37 A R T < 5S- 0 0 53 -3,-2.4 -2,-0.1 3,-0.0 115,-0.1 0.511 137.8 -33.3-100.8-106.3 -34.1 -7.4 24.9 32 38 A E T 5 - 0 0 23 2,-0.1 -3,-0.1 -4,-0.1 272,-0.1 0.721 66.2-146.2 -84.5 -23.9 -32.0 -10.6 25.5 33 39 A N < + 0 0 33 -5,-1.8 2,-0.3 1,-0.2 -4,-0.1 0.898 56.1 133.7 55.9 40.7 -31.3 -9.8 29.2 34 40 A E - 0 0 1 -6,-0.2 -7,-2.0 144,-0.1 2,-0.5 -0.902 54.5-140.2-125.3 149.4 -27.9 -11.5 28.5 35 41 A G E -A 26 0A 1 142,-0.5 134,-3.0 -2,-0.3 2,-0.5 -0.951 17.9-159.0-108.7 127.5 -24.3 -10.7 29.3 36 42 A D E -AC 25 168A 6 -11,-2.3 -11,-2.6 -2,-0.5 2,-0.4 -0.915 14.6-134.5-106.8 131.4 -21.7 -11.3 26.6 37 43 A M E -AC 24 167A 0 130,-2.6 130,-1.3 -2,-0.5 2,-0.4 -0.685 32.9-169.7 -76.1 131.0 -18.0 -11.8 27.4 38 44 A I E +AC 23 166A 0 -15,-2.6 -15,-2.3 -2,-0.4 128,-0.2 -0.981 15.7 171.7-131.5 143.0 -16.1 -9.7 24.8 39 45 A F E - C 0 165A 4 126,-1.8 126,-2.9 -2,-0.4 2,-0.2 -0.966 43.1 -94.3-140.1 152.9 -12.4 -9.4 23.9 40 46 A P E > - C 0 164A 1 0, 0.0 4,-1.7 0, 0.0 3,-0.5 -0.514 29.4-136.0 -64.7 136.2 -10.5 -7.6 21.1 41 47 A A T 4 S+ 0 0 1 122,-1.8 123,-0.1 1,-0.2 75,-0.1 0.842 103.0 60.3 -61.0 -32.5 -10.0 -10.1 18.2 42 48 A E T 4 S+ 0 0 67 121,-0.5 -1,-0.2 1,-0.2 122,-0.1 0.837 118.7 20.8 -61.2 -38.7 -6.4 -8.7 18.1 43 49 A T T 4 S+ 0 0 56 -3,-0.5 -1,-0.2 2,-0.1 -2,-0.2 0.474 81.6 129.8-116.9 -7.4 -5.3 -9.6 21.6 44 50 A M < - 0 0 4 -4,-1.7 2,-0.1 1,-0.1 -23,-0.1 -0.316 49.6-140.8 -57.1 131.2 -7.6 -12.4 22.8 45 51 A T > - 0 0 59 -25,-0.1 4,-2.3 1,-0.1 5,-0.1 -0.431 20.7-113.4 -90.4 166.3 -5.5 -15.2 24.2 46 52 A V H > S+ 0 0 64 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.896 121.9 54.7 -61.0 -40.5 -6.0 -19.0 24.0 47 53 A E H > S+ 0 0 160 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.910 108.1 48.0 -60.4 -39.2 -6.6 -18.9 27.7 48 54 A Q H > S+ 0 0 30 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.881 110.7 50.9 -68.8 -38.4 -9.3 -16.3 27.2 49 55 A M H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.917 110.4 49.7 -62.1 -43.6 -10.9 -18.4 24.4 50 56 A A H X S+ 0 0 8 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.909 110.8 50.2 -61.3 -42.2 -10.8 -21.4 26.8 51 57 A L H X S+ 0 0 42 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.919 110.5 50.2 -58.5 -46.9 -12.5 -19.3 29.5 52 58 A T H X S+ 0 0 1 -4,-2.4 4,-1.7 2,-0.2 6,-0.5 0.888 112.9 44.5 -63.0 -42.4 -15.2 -18.2 27.0 53 59 A I H < S+ 0 0 6 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.926 115.2 49.4 -68.2 -45.5 -16.0 -21.8 25.9 54 60 A R H < S+ 0 0 47 -4,-2.7 -2,-0.2 321,-0.2 -1,-0.2 0.920 126.3 24.5 -58.0 -47.0 -16.0 -23.1 29.5 55 61 A H H < S+ 0 0 39 -4,-2.7 115,-2.5 -5,-0.2 -1,-0.2 0.558 116.9 66.1 -97.9 -11.7 -18.3 -20.4 30.8 56 62 A G B < S-G 169 0B 2 -4,-1.7 113,-0.2 -5,-0.3 4,-0.1 -0.250 98.8 -88.9-103.7-173.5 -20.2 -19.3 27.7 57 63 A S - 0 0 0 111,-1.2 -4,-0.1 2,-0.2 3,-0.1 0.675 55.8-124.8 -66.1 -18.8 -22.6 -20.9 25.2 58 64 A G S S+ 0 0 0 -6,-0.5 2,-1.5 110,-0.2 204,-0.1 0.304 82.9 116.0 80.8 -5.0 -19.6 -22.1 23.2 59 65 A I - 0 0 1 109,-0.1 2,-0.5 202,-0.1 109,-0.3 -0.731 53.0-171.6 -93.3 82.8 -21.1 -20.3 20.2 60 66 A V - 0 0 3 -2,-1.5 72,-1.7 70,-0.3 2,-0.3 -0.716 3.1-161.7 -89.2 125.4 -18.1 -18.0 20.0 61 67 A C E -dE 132 166A 6 105,-2.8 105,-2.4 -2,-0.5 2,-0.6 -0.761 18.6-142.4-116.3 150.5 -18.6 -15.2 17.5 62 68 A L E -dE 133 165A 1 70,-1.7 72,-2.5 -2,-0.3 2,-0.4 -0.948 18.9-146.8-114.5 109.6 -16.4 -12.8 15.7 63 69 A C E +dE 134 164A 0 101,-3.3 101,-1.4 -2,-0.6 2,-0.3 -0.632 28.8 169.4 -76.8 125.8 -18.0 -9.3 15.3 64 70 A I E -d 135 0A 1 70,-2.9 72,-2.7 -2,-0.4 2,-0.2 -0.889 31.1-111.2-133.0 163.8 -17.0 -7.7 12.0 65 71 A T > - 0 0 33 97,-0.3 4,-2.4 -2,-0.3 5,-0.2 -0.485 34.0-107.7 -88.7 166.1 -17.9 -4.7 9.9 66 72 A E H > S+ 0 0 59 70,-0.4 4,-2.7 1,-0.2 5,-0.2 0.903 121.2 56.0 -56.2 -43.2 -19.6 -4.8 6.5 67 73 A D H > S+ 0 0 128 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.925 109.9 44.4 -56.3 -45.6 -16.3 -3.8 4.9 68 74 A R H > S+ 0 0 40 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.869 110.1 55.6 -68.6 -37.0 -14.5 -6.8 6.4 69 75 A R H <>S+ 0 0 40 -4,-2.4 5,-2.3 1,-0.2 4,-0.5 0.939 112.2 43.2 -59.6 -46.6 -17.4 -9.1 5.5 70 76 A K H ><5S+ 0 0 126 -4,-2.7 3,-1.0 1,-0.2 -2,-0.2 0.899 110.2 55.9 -65.3 -41.7 -17.0 -8.1 1.9 71 77 A Q H 3<5S+ 0 0 70 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.891 113.5 41.0 -56.8 -41.7 -13.2 -8.3 2.0 72 78 A L T 3<5S- 0 0 1 -4,-2.2 -1,-0.3 49,-0.1 -2,-0.2 0.487 109.1-125.9 -86.1 -4.5 -13.5 -11.9 3.2 73 79 A D T < 5 + 0 0 104 -3,-1.0 -3,-0.2 -4,-0.5 -4,-0.1 0.926 50.1 162.1 53.8 52.3 -16.3 -12.7 0.7 74 80 A L < - 0 0 0 -5,-2.3 -1,-0.2 -6,-0.1 -2,-0.1 -0.868 29.2-145.9-101.3 104.0 -18.6 -14.0 3.5 75 81 A P - 0 0 62 0, 0.0 16,-2.4 0, 0.0 2,-0.1 -0.294 30.8 -98.5 -59.4 152.5 -22.2 -14.1 2.5 76 82 A M B -H 90 0C 49 14,-0.3 14,-0.3 1,-0.1 13,-0.1 -0.456 38.5-119.1 -62.1 145.7 -24.8 -13.4 5.1 77 83 A M S S+ 0 0 14 12,-2.7 2,-0.4 1,-0.1 13,-0.1 0.905 92.0 23.6 -61.8 -41.5 -26.0 -16.9 6.2 78 84 A V - 0 0 24 11,-0.4 3,-0.3 1,-0.1 -1,-0.1 -0.954 58.5-151.1-128.6 143.4 -29.6 -16.4 5.2 79 85 A E S S+ 0 0 204 -2,-0.4 2,-0.8 1,-0.3 -1,-0.1 0.883 99.0 43.8 -74.3 -41.5 -31.3 -14.0 2.7 80 86 A N S S- 0 0 106 2,-0.0 2,-0.7 0, 0.0 -1,-0.3 -0.820 82.4-158.8-109.2 92.7 -34.5 -13.9 4.6 81 87 A N + 0 0 59 -2,-0.8 248,-0.0 -3,-0.3 7,-0.0 -0.615 22.6 164.8 -79.1 111.8 -33.5 -13.5 8.3 82 88 A T + 0 0 47 248,-2.5 -1,-0.2 -2,-0.7 247,-0.0 0.269 27.1 134.5-110.2 9.1 -36.4 -14.6 10.5 83 89 A S > - 0 0 14 247,-0.8 3,-0.9 4,-0.2 249,-0.1 -0.243 67.3-115.5 -61.7 149.4 -34.5 -14.8 13.8 84 90 A A T 3 S+ 0 0 78 1,-0.3 -1,-0.1 219,-0.1 220,-0.1 0.853 115.0 28.3 -51.0 -43.7 -36.2 -13.3 16.9 85 91 A Y T 3 S- 0 0 67 219,-0.1 -1,-0.3 -53,-0.0 -2,-0.1 0.343 106.7-116.2-105.8 6.0 -33.4 -10.7 17.2 86 92 A G < - 0 0 30 -3,-0.9 -2,-0.1 1,-0.2 -5,-0.1 0.880 42.9-164.7 60.0 42.3 -32.3 -10.3 13.6 87 93 A T - 0 0 19 244,-0.2 2,-1.0 1,-0.1 -4,-0.2 -0.317 18.3-131.3 -67.8 139.7 -28.8 -11.7 14.4 88 94 A G + 0 0 7 47,-0.1 47,-2.7 -12,-0.1 2,-0.2 -0.262 39.5 165.1 -94.1 48.6 -26.2 -11.0 11.7 89 95 A F B -F 134 0A 9 -2,-1.0 -12,-2.7 45,-0.2 -11,-0.4 -0.434 16.7-164.1 -65.5 130.5 -24.6 -14.4 11.2 90 96 A T B -H 76 0C 0 43,-2.2 -14,-0.3 -14,-0.3 3,-0.1 -0.406 45.2 -64.9 -90.4 179.3 -22.5 -14.8 8.1 91 97 A V - 0 0 6 -16,-2.4 -1,-0.2 -2,-0.1 2,-0.1 -0.361 69.7-102.5 -57.3 150.0 -21.4 -18.2 6.7 92 98 A T - 0 0 1 40,-0.1 2,-0.3 37,-0.1 40,-0.2 -0.395 38.0-146.7 -88.1 165.3 -19.1 -19.8 9.2 93 99 A I E -I 131 0D 0 38,-2.5 38,-2.0 35,-0.2 2,-0.3 -0.887 21.0-176.4-139.4 155.4 -15.3 -20.0 9.1 94 100 A E E -I 126 0D 17 32,-1.9 32,-2.8 -2,-0.3 14,-0.1 -0.983 42.9-101.8-143.9 139.1 -12.1 -21.9 9.8 95 101 A A E -I 125 0D 2 12,-0.3 30,-0.2 -2,-0.3 4,-0.2 -0.419 24.4-143.2 -58.5 140.2 -8.5 -20.8 9.2 96 102 A A S S+ 0 0 36 28,-2.4 2,-0.3 15,-0.1 -1,-0.1 0.710 83.3 38.8 -78.7 -20.5 -7.2 -22.6 6.1 97 103 A E S S+ 0 0 163 27,-0.4 3,-0.1 1,-0.1 17,-0.1 -0.953 107.6 24.6-129.4 148.1 -3.8 -22.9 7.7 98 104 A G S S+ 0 0 64 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.598 95.5 90.3 81.9 14.4 -2.5 -23.7 11.1 99 105 A V - 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