==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SYNTHASE 24-FEB-03 1H47 . COMPND 2 MOLECULE: 2C-METHYL-D-ERYTHRITOL-2,4-CYCLODIPHOSPHATE . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR L.E.KEMP,M.S.ALPHEY,C.S.BOND,W.N.HUNTER . 942 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33035.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 610 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 180 19.1 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 . 6 0.6 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 . 33 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 225 23.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 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 12 0 0 0 0 0 0 2 4 7 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 6 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 . 0 4 7 1 0 0 0 2 4 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 10 0 4 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 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 0 A E 0 0 78 0, 0.0 156,-2.0 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 109.1 22.5 -20.7 7.4 2 1 A M E -A 156 0A 27 154,-0.2 2,-0.3 155,-0.1 154,-0.2 -0.947 360.0-163.0-134.3 151.1 21.3 -17.2 7.9 3 2 A R E -A 155 0A 23 152,-2.0 152,-2.4 -2,-0.3 2,-0.3 -0.995 9.0-143.8-138.7 139.8 22.7 -13.7 7.6 4 3 A I E +A 154 0A 0 -2,-0.3 2,-0.3 150,-0.2 150,-0.2 -0.758 15.9 179.8-106.8 146.2 21.7 -10.3 8.8 5 4 A G E -A 153 0A 0 148,-2.0 148,-2.1 -2,-0.3 2,-0.3 -0.982 10.1-157.7-144.1 164.6 21.9 -6.9 7.3 6 5 A H E -A 152 0A 0 -2,-0.3 2,-0.3 41,-0.3 146,-0.2 -0.983 8.0-175.5-139.5 137.1 21.0 -3.3 8.1 7 6 A G E -A 151 0A 0 144,-2.7 144,-2.1 -2,-0.3 2,-0.3 -0.970 4.0-177.1-133.9 156.7 20.5 -0.2 6.0 8 7 A F E +A 150 0A 19 -2,-0.3 2,-0.3 142,-0.2 142,-0.2 -0.987 8.4 171.6-148.4 137.6 19.8 3.5 6.7 9 8 A D E -A 149 0A 10 140,-2.1 140,-1.7 -2,-0.3 2,-0.4 -0.989 12.2-163.7-145.6 156.5 19.1 6.4 4.3 10 9 A V E -A 148 0A 0 283,-0.3 2,-0.4 -2,-0.3 138,-0.2 -0.998 1.7-170.6-139.3 135.3 18.1 10.0 4.3 11 10 A H E -A 147 0A 8 136,-2.3 136,-2.5 -2,-0.4 2,-0.3 -0.999 18.5-136.0-125.5 139.2 16.8 12.3 1.6 12 11 A A E -A 146 0A 13 21,-0.4 21,-1.8 -2,-0.4 134,-0.3 -0.639 27.5-110.9 -87.6 134.6 16.3 16.0 2.0 13 12 A F E +D 32 0B 25 132,-2.5 2,-0.2 -2,-0.3 19,-0.2 -0.260 51.0 144.0 -61.9 152.5 13.2 17.7 0.7 14 13 A G E +D 31 0B 18 17,-1.8 17,-0.7 1,-0.1 807,-0.0 -0.855 44.6 9.6 176.4 153.1 13.5 20.0 -2.3 15 14 A G S S- 0 0 40 791,-0.3 16,-0.6 -2,-0.2 791,-0.3 -0.233 96.7 -47.3 63.2-153.2 11.6 21.0 -5.5 16 15 A E - 0 0 64 14,-0.4 14,-0.3 1,-0.1 16,-0.2 -0.725 69.9 -65.8-115.7 164.2 8.0 19.8 -6.0 17 16 A G S S+ 0 0 33 11,-0.7 14,-0.2 -2,-0.2 2,-0.2 -0.125 72.7 88.1 -76.2 176.0 6.3 16.4 -5.6 18 17 A P - 0 0 52 0, 0.0 14,-0.4 0, 0.0 2,-0.3 0.476 55.0-157.5 -80.1 165.3 5.5 13.6 -6.0 19 18 A I E -E 26 0C 2 7,-2.1 7,-3.2 12,-0.2 2,-0.5 -0.749 13.5-132.1 -96.1 155.9 8.1 11.9 -3.8 20 19 A I E +E 25 0C 26 17,-0.4 2,-0.4 -2,-0.3 20,-0.3 -0.961 30.4 168.6-115.4 121.0 8.9 8.2 -4.5 21 20 A I E > S-E 24 0C 0 3,-2.6 3,-2.2 -2,-0.5 18,-0.1 -0.996 70.8 -8.2-132.6 131.4 8.9 5.8 -1.6 22 21 A G T 3 S- 0 0 0 -2,-0.4 94,-0.2 1,-0.3 95,-0.2 0.890 129.6 -57.9 48.4 40.0 9.1 2.0 -1.9 23 22 A G T 3 S+ 0 0 19 1,-0.2 2,-0.4 93,-0.1 -1,-0.3 0.335 114.7 118.5 77.1 -9.2 8.5 2.5 -5.6 24 23 A V E < -E 21 0C 17 -3,-2.2 -3,-2.6 85,-0.0 2,-0.6 -0.800 63.4-133.4 -98.6 131.6 5.3 4.3 -5.1 25 24 A R E -E 20 0C 166 -2,-0.4 -5,-0.2 -5,-0.2 -8,-0.0 -0.710 26.9-164.8 -79.7 119.5 4.8 8.0 -6.2 26 25 A I E -E 19 0C 2 -7,-3.2 -7,-2.1 -2,-0.6 2,-0.1 -0.942 21.3-119.0-112.9 125.6 3.1 9.8 -3.2 27 26 A P + 0 0 99 0, 0.0 2,-0.3 0, 0.0 -7,-0.0 -0.400 49.5 151.7 -57.3 126.5 1.5 13.3 -3.6 28 27 A Y - 0 0 50 -2,-0.1 -11,-0.7 76,-0.1 -2,-0.0 -0.970 56.3-112.8-156.4 159.6 3.3 15.8 -1.5 29 28 A E S S+ 0 0 156 -2,-0.3 2,-0.3 -13,-0.1 -12,-0.1 0.692 100.4 28.7 -71.2 -21.3 3.9 19.6 -1.5 30 29 A K S S- 0 0 48 -14,-0.3 -14,-0.4 776,-0.0 -15,-0.2 -0.912 77.1-126.4-134.1 165.2 7.6 19.1 -2.1 31 30 A G E -D 14 0B 4 -17,-0.7 -17,-1.8 -16,-0.6 2,-0.5 -0.217 25.7-102.2 -95.8-174.1 9.9 16.5 -3.8 32 31 A L E -D 13 0B 22 -14,-0.4 2,-0.3 -19,-0.2 -19,-0.2 -0.968 32.1-139.9-116.7 114.7 13.0 14.6 -2.7 33 32 A L + 0 0 86 -21,-1.8 -21,-0.4 -2,-0.5 2,-0.3 -0.523 38.6 141.5 -68.2 131.7 16.3 15.9 -4.0 34 33 A A - 0 0 35 -2,-0.3 -2,-0.1 2,-0.2 -23,-0.0 -0.943 66.4-121.7-165.0 149.3 18.9 13.3 -5.1 35 34 A H S S+ 0 0 85 -2,-0.3 36,-0.3 2,-0.0 -1,-0.1 0.841 117.0 31.8 -41.7 -36.9 21.5 12.3 -7.6 36 35 A S S S- 0 0 43 -3,-0.1 -2,-0.2 34,-0.1 37,-0.1 -0.066 120.6 -71.4-107.8-159.9 19.0 9.5 -7.8 37 36 A D - 0 0 41 35,-0.3 -17,-0.4 -4,-0.1 -5,-0.2 0.488 62.4-121.4 -82.0 -1.6 15.2 9.4 -7.4 38 37 A G + 0 0 0 1,-0.2 2,-1.9 -19,-0.1 3,-0.1 0.665 50.9 162.2 76.6 18.6 15.4 9.8 -3.6 39 38 A D > + 0 0 0 1,-0.2 4,-2.4 -18,-0.1 -1,-0.2 -0.507 11.6 179.6 -73.6 86.7 13.7 6.5 -2.7 40 39 A V H > S+ 0 0 0 -2,-1.9 4,-2.1 -20,-0.3 -1,-0.2 0.805 75.7 53.0 -59.9 -37.2 14.9 6.3 0.9 41 40 A A H > S+ 0 0 3 2,-0.2 4,-2.2 -21,-0.2 -1,-0.2 0.907 111.6 42.3 -65.8 -49.5 13.1 3.1 1.5 42 41 A L H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.863 115.1 52.6 -68.2 -31.0 14.5 1.1 -1.4 43 42 A H H X S+ 0 0 9 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.940 111.2 44.4 -67.3 -47.0 17.9 2.6 -0.8 44 43 A A H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 107,-0.2 0.907 115.4 49.1 -67.0 -38.9 17.9 1.5 2.8 45 44 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.907 109.2 52.3 -65.2 -44.1 16.5 -1.9 1.9 46 45 A T H X S+ 0 0 1 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.920 109.4 49.3 -56.5 -45.6 19.2 -2.3 -0.8 47 46 A D H X S+ 0 0 3 -4,-2.4 4,-2.3 1,-0.2 -41,-0.3 0.829 109.7 52.0 -62.3 -36.2 22.0 -1.5 1.6 48 47 A A H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 105,-0.2 0.886 112.4 45.2 -68.6 -39.7 20.5 -4.1 4.2 49 48 A L H X S+ 0 0 2 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.949 116.2 45.7 -69.8 -45.3 20.4 -6.8 1.5 50 49 A L H <>S+ 0 0 0 -4,-2.8 5,-2.8 1,-0.2 6,-0.5 0.877 112.3 53.3 -63.0 -36.2 23.9 -6.0 0.3 51 50 A G H ><5S+ 0 0 0 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.912 106.1 50.6 -65.5 -44.2 25.1 -5.8 3.9 52 51 A A H 3<5S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.858 112.8 48.7 -63.8 -31.7 23.8 -9.2 4.7 53 52 A A T 3<5S- 0 0 0 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.327 109.0-123.8 -84.1 3.2 25.6 -10.5 1.7 54 53 A A T < 5S+ 0 0 7 -3,-1.7 -3,-0.2 2,-0.1 -2,-0.1 0.875 74.8 127.4 45.3 44.4 28.9 -8.7 2.6 55 54 A L < - 0 0 44 -5,-2.8 2,-0.7 1,-0.2 -4,-0.2 0.310 67.8-125.8-105.6 5.0 28.8 -7.0 -0.8 56 55 A G - 0 0 7 -6,-0.5 2,-0.3 -5,-0.1 -1,-0.2 -0.798 44.7 -51.5 102.0-110.1 29.2 -3.5 0.7 57 56 A D > - 0 0 11 -2,-0.7 4,-1.8 -7,-0.1 3,-0.2 -0.952 51.3 -86.4-160.3 173.9 26.6 -0.8 -0.2 58 57 A I H > S+ 0 0 32 -2,-0.3 4,-2.8 1,-0.2 -1,-0.1 0.882 123.1 53.1 -58.5 -43.9 24.7 1.0 -3.1 59 58 A G H 4 S+ 0 0 32 232,-0.2 -1,-0.2 1,-0.2 233,-0.0 0.847 107.8 52.8 -60.9 -34.8 27.5 3.5 -3.6 60 59 A K H 4 S+ 0 0 112 -3,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.921 118.5 33.8 -65.2 -48.0 30.0 0.7 -3.9 61 60 A L H < S+ 0 0 19 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.829 133.5 28.3 -75.3 -33.3 28.1 -1.1 -6.6 62 61 A F S < S- 0 0 14 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 -0.551 77.9-167.4-135.6 63.1 26.6 2.0 -8.3 63 62 A P - 0 0 46 0, 0.0 6,-0.3 0, 0.0 3,-0.2 -0.246 26.8-132.8 -55.7 140.0 28.9 5.0 -7.8 64 63 A D S S+ 0 0 136 1,-0.2 5,-0.1 5,-0.0 6,-0.0 0.876 109.2 65.6 -57.4 -41.1 27.4 8.4 -8.8 65 64 A T S S+ 0 0 130 1,-0.1 -1,-0.2 2,-0.0 5,-0.1 0.932 83.1 84.2 -32.7 -64.6 30.6 8.8 -10.6 66 65 A D > - 0 0 56 -3,-0.2 3,-1.8 1,-0.1 4,-0.2 -0.314 66.6-154.3 -67.3 111.2 29.9 6.0 -13.1 67 66 A P G > S+ 0 0 107 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.707 84.9 78.4 -51.9 -27.6 27.8 7.1 -16.1 68 67 A A G 3 S+ 0 0 76 1,-0.3 -2,-0.1 3,-0.0 -6,-0.0 0.728 96.5 45.0 -54.6 -25.1 26.4 3.6 -16.6 69 68 A F G X S+ 0 0 58 -3,-1.8 3,-2.3 -6,-0.3 -1,-0.3 0.382 81.4 134.1-105.5 6.4 23.9 4.1 -13.7 70 69 A K T < S+ 0 0 82 -3,-1.7 3,-0.1 1,-0.3 -34,-0.1 -0.310 79.9 5.1 -60.5 125.5 22.8 7.5 -14.7 71 70 A G T 3 S+ 0 0 81 -36,-0.3 -1,-0.3 1,-0.3 2,-0.1 0.477 90.0 147.5 79.9 1.8 19.1 7.8 -14.5 72 71 A A < - 0 0 24 -3,-2.3 -35,-0.3 1,-0.1 -1,-0.3 -0.447 42.7-133.2 -63.6 139.4 18.6 4.3 -13.0 73 72 A D > - 0 0 59 -37,-0.1 4,-2.2 -2,-0.1 3,-0.4 -0.498 23.0-104.5 -91.1 169.6 15.6 4.2 -10.7 74 73 A S H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.782 118.8 54.9 -68.8 -27.9 15.7 2.6 -7.3 75 74 A R H > S+ 0 0 49 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.829 108.3 50.3 -71.9 -32.6 13.8 -0.5 -8.3 76 75 A E H > S+ 0 0 90 -3,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.923 112.1 47.1 -68.9 -39.8 16.3 -1.1 -11.0 77 76 A L H X S+ 0 0 23 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.917 112.5 49.9 -65.4 -43.2 19.1 -0.7 -8.5 78 77 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.907 111.0 48.7 -59.5 -45.9 17.4 -3.0 -6.1 79 78 A R H X S+ 0 0 97 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.892 113.1 47.5 -67.9 -36.1 16.8 -5.7 -8.8 80 79 A E H X S+ 0 0 55 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.920 112.0 49.3 -69.6 -42.3 20.5 -5.5 -9.9 81 80 A A H X S+ 0 0 2 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.923 112.7 49.4 -59.4 -43.1 21.7 -5.7 -6.3 82 81 A W H X S+ 0 0 10 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.863 106.1 54.5 -68.0 -38.8 19.5 -8.7 -5.8 83 82 A R H X S+ 0 0 134 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.922 111.3 46.7 -58.8 -42.5 20.7 -10.4 -8.9 84 83 A R H X S+ 0 0 84 -4,-2.1 4,-0.8 2,-0.2 -2,-0.2 0.819 111.2 50.4 -70.9 -32.8 24.3 -10.1 -7.6 85 84 A I H <>S+ 0 0 0 -4,-1.8 5,-1.5 2,-0.2 3,-0.4 0.901 110.4 50.4 -69.3 -42.4 23.3 -11.3 -4.2 86 85 A Q H ><5S+ 0 0 97 -4,-2.5 3,-2.1 1,-0.2 -2,-0.2 0.903 105.4 55.6 -65.0 -38.8 21.6 -14.4 -5.7 87 86 A A H 3<5S+ 0 0 83 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.765 100.1 61.8 -63.8 -23.8 24.7 -15.2 -7.8 88 87 A K T 3<5S- 0 0 77 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.495 128.8 -99.2 -79.0 -2.9 26.5 -15.3 -4.5 89 88 A G T < 5S+ 0 0 54 -3,-2.1 2,-0.2 1,-0.3 -3,-0.2 0.377 77.8 132.6 107.4 -1.6 24.2 -18.2 -3.5 90 89 A Y < - 0 0 20 -5,-1.5 -1,-0.3 -37,-0.0 2,-0.3 -0.510 32.8-169.3 -93.1 155.0 21.6 -16.4 -1.3 91 90 A T E -B 156 0A 70 65,-2.5 65,-2.8 -2,-0.2 2,-0.3 -0.826 36.1 -86.0-129.9 166.3 17.9 -16.5 -1.2 92 91 A L E +B 155 0A 17 -2,-0.3 63,-0.2 63,-0.2 3,-0.1 -0.587 35.9 170.4 -85.2 131.0 15.5 -14.3 0.7 93 92 A G E - 0 0 9 61,-2.4 2,-0.3 -2,-0.3 62,-0.2 0.754 62.7 -57.8 -86.0 -81.2 14.4 -14.8 4.3 94 93 A N E -B 154 0A 0 60,-1.2 60,-2.5 29,-0.0 2,-0.3 -0.990 42.7-144.1-160.0 165.7 12.5 -11.7 5.1 95 94 A V E -Bc 153 128A 0 32,-2.5 34,-1.4 -2,-0.3 2,-0.4 -0.968 4.7-165.5-135.6 153.9 12.8 -7.9 5.2 96 95 A D E -Bc 152 129A 0 56,-2.4 56,-2.7 -2,-0.3 2,-0.4 -0.996 9.0-169.3-143.0 131.7 11.5 -5.2 7.4 97 96 A V E -Bc 151 130A 1 32,-1.9 34,-1.9 -2,-0.4 2,-0.5 -0.972 7.5-164.2-128.5 137.6 11.5 -1.6 6.6 98 97 A T E -Bc 150 131A 0 52,-3.7 52,-2.9 -2,-0.4 2,-0.3 -0.950 7.6-158.6-128.8 107.6 10.8 1.5 8.8 99 98 A I E -Bc 149 132A 0 32,-2.9 34,-1.9 -2,-0.5 2,-0.6 -0.688 5.6-155.8 -81.2 135.1 10.1 4.8 7.1 100 99 A I E +Bc 148 133A 8 48,-2.8 48,-2.6 -2,-0.3 2,-0.3 -0.959 35.6 137.6-119.3 104.6 10.7 7.9 9.4 101 100 A A - 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